BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 50071764 CC(O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H27N5O/c1-19(32)21-11-12-25(27-18-21)30-13-15-31(16-14-30)26-23-10-6-5-9-22(23)24(28-29-26)17-20-7-3-2-4-8-20/h2-12,18-19,32H,13-17H2,1H3 KDLLHJVVUKOKAC-UHFFFAOYSA-N 50268312 1-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}ethanol::CHEMBL485869 Smoothened homolog Mus musculus 222 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268312&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186375 104114786 CHEMBL485869 ZINC45484440 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071765 CC(O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H27N5O/c1-19(32)21-11-12-25(27-18-21)30-13-15-31(16-14-30)26-23-10-6-5-9-22(23)24(28-29-26)17-20-7-3-2-4-8-20/h2-12,18-19,32H,13-17H2,1H3 KDLLHJVVUKOKAC-UHFFFAOYSA-N 50268312 1-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}ethanol::CHEMBL485869 Smoothened homolog Mus musculus 38 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268312&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186375 104114786 CHEMBL485869 ZINC45484440 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071766 FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccoc12 InChI=1S/C23H20F3N5O/c24-23(25,26)17-6-7-20(27-15-17)30-9-11-31(12-10-30)22-21-18(8-13-32-21)19(28-29-22)14-16-4-2-1-3-5-16/h1-8,13,15H,9-12,14H2 QJUIBOLEMOFYRT-UHFFFAOYSA-N 50268704 4-Benzyl-7-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]furo[2,3-d]pyridazine::CHEMBL497209 Smoothened homolog Mus musculus >5000 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268704&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186485 104114979 CHEMBL497209 ZINC40976776 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071767 FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2[nH]cnc12 InChI=1S/C22H20F3N7/c23-22(24,25)16-6-7-18(26-13-16)31-8-10-32(11-9-31)21-20-19(27-14-28-20)17(29-30-21)12-15-4-2-1-3-5-15/h1-7,13-14H,8-12H2,(H,27,28) XPUXVKSBEIUMDI-UHFFFAOYSA-N 50268705 7-Benzyl-4-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]-1Himidazo[4,5-d]pyridazine::CHEMBL497210 Smoothened homolog Mus musculus >5000 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268705&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186526 104114980 CHEMBL497210 ZINC40976778 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071768 FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2occc12 InChI=1S/C23H20F3N5O/c24-23(25,26)17-6-7-20(27-15-17)30-9-11-31(12-10-30)22-18-8-13-32-21(18)19(28-29-22)14-16-4-2-1-3-5-16/h1-8,13,15H,9-12,14H2 SBGNBKAOBXLSTB-UHFFFAOYSA-N 50268703 7-Benzyl-4-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]furo[2,3-d]pyridazine::CHEMBL497412 Smoothened homolog Mus musculus 139 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268703&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186185 104114978 CHEMBL497412 ZINC40425393 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071769 CC(C)(N)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H30N6/c1-27(2,28)21-12-13-25(29-19-21)32-14-16-33(17-15-32)26-23-11-7-6-10-22(23)24(30-31-26)18-20-8-4-3-5-9-20/h3-13,19H,14-18,28H2,1-2H3 WLZLUGVHAHGDCQ-UHFFFAOYSA-N 50269112 1-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}1-methylethylamine::CHEMBL497266 Smoothened homolog Mus musculus 42 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269112&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186313 104115124 CHEMBL497266 ZINC40973291 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071770 CC(=O)NCc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H28N6O/c1-20(34)28-18-22-11-12-26(29-19-22)32-13-15-33(16-14-32)27-24-10-6-5-9-23(24)25(30-31-27)17-21-7-3-2-4-8-21/h2-12,19H,13-18H2,1H3,(H,28,34) FVUDSNFHNJZONL-UHFFFAOYSA-N 50269111 CHEMBL523255::N-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-ylmethyl}acetamide Smoothened homolog Mus musculus 327 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269111&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065894 104115123 CHEMBL523255 ZINC40976467 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071771 OCc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C25H25N5O/c31-18-20-10-11-24(26-17-20)29-12-14-30(15-13-29)25-22-9-5-4-8-21(22)23(27-28-25)16-19-6-2-1-3-7-19/h1-11,17,31H,12-16,18H2 TWEPAIWYLUBDHG-UHFFFAOYSA-N 50269114 CHEMBL498457::{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}methanol Smoothened homolog Mus musculus 2448 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269114&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186314 104115126 CHEMBL498457 ZINC40431395 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071772 CC(C)(O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H29N5O/c1-27(2,33)21-12-13-25(28-19-21)31-14-16-32(17-15-31)26-23-11-7-6-10-22(23)24(29-30-26)18-20-8-4-3-5-9-20/h3-13,19,33H,14-18H2,1-2H3 KSWYJUIFHPSZOL-UHFFFAOYSA-N 50268313 2-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol::CHEMBL485870 Smoothened homolog Mus musculus 5 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268313&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search A8T 4QIM 24905375 104114787 CHEMBL485870 ZINC43197966 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071773 OC(=O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C25H23N5O2/c31-25(32)19-10-11-23(26-17-19)29-12-14-30(15-13-29)24-21-9-5-4-8-20(21)22(27-28-24)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H,31,32) OKUDYOSQRBEFPD-UHFFFAOYSA-N 50269113 6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicotinic Acid::CHEMBL523431 Smoothened homolog Mus musculus >5000 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269113&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065069 104115125 CHEMBL523431 ZINC40973293 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071774 CC(O)(CO)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H29N5O2/c1-27(34,19-33)21-11-12-25(28-18-21)31-13-15-32(16-14-31)26-23-10-6-5-9-22(23)24(29-30-26)17-20-7-3-2-4-8-20/h2-12,18,33-34H,13-17,19H2,1H3 WMJOBCUAFQWMLG-UHFFFAOYSA-N 50268315 (+/-)-2-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propane-1,2-diol::CHEMBL520858 Smoothened homolog Mus musculus 28 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268315&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186378 104114789 CHEMBL520858 ZINC40423816 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071775 OC1(CC1)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H27N5O/c33-27(12-13-27)21-10-11-25(28-19-21)31-14-16-32(17-15-31)26-23-9-5-4-8-22(23)24(29-30-26)18-20-6-2-1-3-7-20/h1-11,19,33H,12-18H2 VTOXWJFHHUSEIN-UHFFFAOYSA-N 50268314 1-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}cyclopropanol::CHEMBL519219 Smoothened homolog Mus musculus 10 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268314&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186376 104114788 CHEMBL519219 ZINC40420947 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071780 C(c1ccccc1)c1nnc(N2CCN(CC2)c2ccccc2)c2ccccc12 InChI=1S/C25H24N4/c1-3-9-20(10-4-1)19-24-22-13-7-8-14-23(22)25(27-26-24)29-17-15-28(16-18-29)21-11-5-2-6-12-21/h1-14H,15-19H2 PMNLMFUHSIYHHB-UHFFFAOYSA-N 50269040 1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine::CHEMBL496013 Smoothened homolog Mus musculus 1095 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269040&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 6404568 104115096 CHEMBL496013 ZINC01393434 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071781 CC(C)(O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H29N5O/c1-27(2,33)21-12-13-25(28-19-21)31-14-16-32(17-15-31)26-23-11-7-6-10-22(23)24(29-30-26)18-20-8-4-3-5-9-20/h3-13,19,33H,14-18H2,1-2H3 KSWYJUIFHPSZOL-UHFFFAOYSA-N 50268313 2-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol::CHEMBL485870 Smoothened homolog Mus musculus 2.7 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268313&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search A8T 4QIM 24905375 104114787 CHEMBL485870 ZINC43197966 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071782 OC1(CC1)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H27N5O/c33-27(12-13-27)21-10-11-25(28-19-21)31-14-16-32(17-15-31)26-23-9-5-4-8-22(23)24(29-30-26)18-20-6-2-1-3-7-20/h1-11,19,33H,12-18H2 VTOXWJFHHUSEIN-UHFFFAOYSA-N 50268314 1-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}cyclopropanol::CHEMBL519219 Smoothened homolog Mus musculus 55 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268314&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186376 104114788 CHEMBL519219 ZINC40420947 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071783 CC(O)(CO)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H29N5O2/c1-27(34,19-33)21-11-12-25(28-18-21)31-13-15-32(16-14-31)26-23-10-6-5-9-22(23)24(29-30-26)17-20-7-3-2-4-8-20/h2-12,18,33-34H,13-17,19H2,1H3 WMJOBCUAFQWMLG-UHFFFAOYSA-N 50268315 (+/-)-2-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propane-1,2-diol::CHEMBL520858 Smoothened homolog Mus musculus 17 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268315&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186378 104114789 CHEMBL520858 ZINC40423816 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071784 FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C25H22F3N5/c26-25(27,28)19-10-11-23(29-17-19)32-12-14-33(15-13-32)24-21-9-5-4-8-20(21)22(30-31-24)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2 NTZIYOUDVSCPRE-UHFFFAOYSA-N 50269042 1-Benzyl-4-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]phthalazine::CHEMBL521558 Smoothened homolog Mus musculus 74 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269042&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25066520 104115098 CHEMBL521558 ZINC40974038 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071785 C(c1ccccc1)c1nnc(N2CCN(CC2)c2ccccn2)c2ccccc12 InChI=1S/C24H23N5/c1-2-8-19(9-3-1)18-22-20-10-4-5-11-21(20)24(27-26-22)29-16-14-28(15-17-29)23-12-6-7-13-25-23/h1-13H,14-18H2 FCTUWPXBMWNCFN-UHFFFAOYSA-N 50269041 1-Benzyl-4-(4-pyridin-2-yl-piperazin-1-yl)phthalazine::CHEMBL496014 Smoothened homolog Mus musculus 643 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269041&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 18526613 104115097 CHEMBL496014 ZINC16480912 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071786 C[C@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H24N6/c1-19-18-31(13-14-32(19)25-12-11-21(16-27)17-28-25)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m0/s1 ISXNBYFYHJAITP-IBGZPJMESA-N 50268609 6-[(S)-4-(4-Benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitrile::CHEMBL497436 Smoothened homolog Mus musculus 735 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268609&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186115 104114937 CHEMBL497436 ZINC40973573 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071787 N#Cc1ccc(nc1)N1CCN(CC1)c1cnc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H23N5/c27-17-21-10-11-26(29-18-21)31-14-12-30(13-15-31)25-19-28-24(16-20-6-2-1-3-7-20)22-8-4-5-9-23(22)25/h1-11,18-19H,12-16H2 GYIIAGMRYYSGSS-UHFFFAOYSA-N 50268661 6-[4-(1-Benzylisoquinolin-4-yl)piperazin-1-yl]nicotinonitrile::CHEMBL497819 Smoothened homolog Mus musculus 910 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268661&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25066322 104114958 CHEMBL497819 ZINC40973610 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071788 C(c1ccncc1)c1nnc(N2CCN(CC2)c2ccccn2)c2ccccc12 InChI=1S/C23H22N6/c1-2-6-20-19(5-1)21(17-18-8-11-24-12-9-18)26-27-23(20)29-15-13-28(14-16-29)22-7-3-4-10-25-22/h1-12H,13-17H2 HVCKRXNCZNJASA-UHFFFAOYSA-N 50268375 1-Pyridin-4-ylmethyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine::CHEMBL497003 Smoothened homolog Mus musculus 690 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268375&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 20875737 104114809 CHEMBL497003 ZINC33315026 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071789 N#Cc1ccc(cc1)C1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H24N4/c28-19-21-10-12-22(13-11-21)23-14-16-31(17-15-23)27-25-9-5-4-8-24(25)26(29-30-27)18-20-6-2-1-3-7-20/h1-13,23H,14-18H2 ZCBPOKGVMMAGFY-UHFFFAOYSA-N 50268660 4-[1-(4-Benzylphthalazin-1-yl)piperidin-4-yl]benzonitrile::CHEMBL495579 Smoothened homolog Mus musculus 3776 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268660&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186182 104114957 CHEMBL495579 ZINC40956241 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071791 N#Cc1ccc(nc1)N1CCC(CC1)c1cn(Cc2ccccc2)c2ccccc12 InChI=1S/C26H24N4/c27-16-21-10-11-26(28-17-21)29-14-12-22(13-15-29)24-19-30(18-20-6-2-1-3-7-20)25-9-5-4-8-23(24)25/h1-11,17,19,22H,12-15,18H2 UHDWNJLWTHGBCP-UHFFFAOYSA-N 50268663 4-(1-Benzyl-1H-indol-3-yl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile::CHEMBL498017 Smoothened homolog Mus musculus 382 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268663&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186184 104114960 CHEMBL498017 ZINC40428698 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071792 N#Cc1ccc(nc1)N1CCN(CC1)c1ncc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H23N5/c27-17-21-10-11-25(28-18-21)30-12-14-31(15-13-30)26-24-9-5-4-8-23(24)22(19-29-26)16-20-6-2-1-3-7-20/h1-11,18-19H,12-16H2 SACCJQYKNINQME-UHFFFAOYSA-N 50268662 6-[4-(4-Benzylisoquinolin-1-yl)piperazin-1-yl]nicotinonitrile::CHEMBL497820 Smoothened homolog Mus musculus 1427 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268662&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186183 104114959 CHEMBL497820 ZINC40431391 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071793 Clc1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C25H21ClN6/c26-20-8-5-18(6-9-20)15-23-21-3-1-2-4-22(21)25(30-29-23)32-13-11-31(12-14-32)24-10-7-19(16-27)17-28-24/h1-10,17H,11-15H2 HZYOJTRPVYPKHR-UHFFFAOYSA-N 50268494 6-{4-[4-(4-Chlorobenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile::CHEMBL496604 Smoothened homolog Mus musculus 20 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268494&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186430 104114878 CHEMBL496604 ZINC40976144 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071794 Clc1cccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)c1 InChI=1S/C25H21ClN6/c26-20-5-3-4-18(14-20)15-23-21-6-1-2-7-22(21)25(30-29-23)32-12-10-31(11-13-32)24-9-8-19(16-27)17-28-24/h1-9,14,17H,10-13,15H2 UWCQBFHABOTGRR-UHFFFAOYSA-N 50268493 6-{4-[4-(3-Chlorobenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile::CHEMBL521900 Smoothened homolog Mus musculus 54 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268493&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065681 104114877 CHEMBL521900 ZINC40425395 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071796 N#Cc1ccc(nc1)N1CCC(CC1)c1cn(Cc2ccccc2)c2ccccc12 InChI=1S/C26H24N4/c27-16-21-10-11-26(28-17-21)29-14-12-22(13-15-29)24-19-30(18-20-6-2-1-3-7-20)25-9-5-4-8-23(24)25/h1-11,17,19,22H,12-15,18H2 UHDWNJLWTHGBCP-UHFFFAOYSA-N 50268663 4-(1-Benzyl-1H-indol-3-yl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile::CHEMBL498017 Smoothened homolog Mus musculus 1507 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268663&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186184 104114960 CHEMBL498017 ZINC40428698 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071802 N#Cc1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C26H21N7/c27-16-20-7-5-19(6-8-20)15-24-22-3-1-2-4-23(22)26(31-30-24)33-13-11-32(12-14-33)25-10-9-21(17-28)18-29-25/h1-10,18H,11-15H2 FEGUPQZONWIBEH-UHFFFAOYSA-N 50268495 6-{4-[4-(4-Cyanobenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile::CHEMBL495608 Smoothened homolog Mus musculus 23 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268495&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065678 104114879 CHEMBL495608 ZINC40954003 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071803 N#Cc1ccc(cc1)C1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H24N4/c28-19-21-10-12-22(13-11-21)23-14-16-31(17-15-23)27-25-9-5-4-8-24(25)26(29-30-27)18-20-6-2-1-3-7-20/h1-13,23H,14-18H2 ZCBPOKGVMMAGFY-UHFFFAOYSA-N 50268660 4-[1-(4-Benzylphthalazin-1-yl)piperidin-4-yl]benzonitrile::CHEMBL495579 Smoothened homolog Mus musculus >5000 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268660&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186182 104114957 CHEMBL495579 ZINC40956241 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071804 Fc1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C25H21FN6/c26-20-8-5-18(6-9-20)15-23-21-3-1-2-4-22(21)25(30-29-23)32-13-11-31(12-14-32)24-10-7-19(16-27)17-28-24/h1-10,17H,11-15H2 PZHMWEYKHTVOIV-UHFFFAOYSA-N 50268492 6-{4-[4-(4-Fluorobenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile::CHEMBL496603 Smoothened homolog Mus musculus 69 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268492&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186429 104114876 CHEMBL496603 ZINC40975889 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071805 N#Cc1ccc(nc1)N1CCN(CC1)c1ncc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H23N5/c27-17-21-10-11-25(28-18-21)30-12-14-31(15-13-30)26-24-9-5-4-8-23(24)22(19-29-26)16-20-6-2-1-3-7-20/h1-11,18-19H,12-16H2 SACCJQYKNINQME-UHFFFAOYSA-N 50268662 6-[4-(4-Benzylisoquinolin-1-yl)piperazin-1-yl]nicotinonitrile::CHEMBL497820 Smoothened homolog Mus musculus 2987 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268662&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186183 104114959 CHEMBL497820 ZINC40431391 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071806 C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H24N6/c1-19-18-31(13-14-32(19)25-12-11-21(16-27)17-28-25)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m1/s1 ISXNBYFYHJAITP-LJQANCHMSA-N 50268610 6-[(R)-4-(4-Benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitrile::CHEMBL497437 Smoothened homolog Mus musculus 244 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268610&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186480 104114938 CHEMBL497437 ZINC40973575 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071807 N#Cc1ccc(nc1)N1CCN(CC1)c1cnc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H23N5/c27-17-21-10-11-26(29-18-21)31-14-12-30(13-15-31)25-19-28-24(16-20-6-2-1-3-7-20)22-8-4-5-9-23(22)25/h1-11,18-19H,12-16H2 GYIIAGMRYYSGSS-UHFFFAOYSA-N 50268661 6-[4-(1-Benzylisoquinolin-4-yl)piperazin-1-yl]nicotinonitrile::CHEMBL497819 Smoothened homolog Mus musculus 2500 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268661&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25066322 104114958 CHEMBL497819 ZINC40973610 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071808 C[C@H]1CN(CCN1c1nnc(Cc2ccccc2)c2ccccc12)c1ccc(cn1)C#N InChI=1S/C26H24N6/c1-19-18-31(25-12-11-21(16-27)17-28-25)13-14-32(19)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m0/s1 AOYORYCIQQUHIQ-IBGZPJMESA-N 50268612 6-[(S)-4-(4-Benzylphthalazin-1-yl)-3-methylpiperazin-1-yl]nicotinonitrile::CHEMBL497238 Smoothened homolog Mus musculus 210 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268612&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186482 104114940 CHEMBL497238 ZINC40974868 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071809 C[C@@H]1CN(CCN1c1nnc(Cc2ccccc2)c2ccccc12)c1ccc(cn1)C#N InChI=1S/C26H24N6/c1-19-18-31(25-12-11-21(16-27)17-28-25)13-14-32(19)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m1/s1 AOYORYCIQQUHIQ-LJQANCHMSA-N 50268611 6-[(R)-4-(4-Benzylphthalazin-1-yl)-3-methylpiperazin-1-yl]nicotinonitrile::CHEMBL497639 Smoothened homolog Mus musculus 738 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268611&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186181 104114939 CHEMBL497639 ZINC40975962 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071810 N#Cc1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C26H21N7/c27-16-20-7-5-19(6-8-20)15-24-22-3-1-2-4-23(22)26(31-30-24)33-13-11-32(12-14-33)25-10-9-21(17-28)18-29-25/h1-10,18H,11-15H2 FEGUPQZONWIBEH-UHFFFAOYSA-N 50268495 6-{4-[4-(4-Cyanobenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile::CHEMBL495608 Smoothened homolog Mus musculus 256 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268495&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065678 104114879 CHEMBL495608 ZINC40954003 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071811 C[C@H]1CN(CCN1c1nnc(Cc2ccccc2)c2ccccc12)c1ccc(cn1)C#N InChI=1S/C26H24N6/c1-19-18-31(25-12-11-21(16-27)17-28-25)13-14-32(19)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m0/s1 AOYORYCIQQUHIQ-IBGZPJMESA-N 50268612 6-[(S)-4-(4-Benzylphthalazin-1-yl)-3-methylpiperazin-1-yl]nicotinonitrile::CHEMBL497238 Smoothened homolog Mus musculus 25 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268612&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186482 104114940 CHEMBL497238 ZINC40974868 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071812 CC(C)(N)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H30N6/c1-27(2,28)21-12-13-25(29-19-21)32-14-16-33(17-15-32)26-23-11-7-6-10-22(23)24(30-31-26)18-20-8-4-3-5-9-20/h3-13,19H,14-18,28H2,1-2H3 WLZLUGVHAHGDCQ-UHFFFAOYSA-N 50269112 1-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}1-methylethylamine::CHEMBL497266 Smoothened homolog Mus musculus 6 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269112&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186313 104115124 CHEMBL497266 ZINC40973291 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071813 CC(=O)NCc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H28N6O/c1-20(34)28-18-22-11-12-26(29-19-22)32-13-15-33(16-14-32)27-24-10-6-5-9-23(24)25(30-31-27)17-21-7-3-2-4-8-21/h2-12,19H,13-18H2,1H3,(H,28,34) FVUDSNFHNJZONL-UHFFFAOYSA-N 50269111 CHEMBL523255::N-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-ylmethyl}acetamide Smoothened homolog Mus musculus 96 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269111&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065894 104115123 CHEMBL523255 ZINC40976467 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071814 OCc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C25H25N5O/c31-18-20-10-11-24(26-17-20)29-12-14-30(15-13-29)25-22-9-5-4-8-21(22)23(27-28-25)16-19-6-2-1-3-7-19/h1-11,17,31H,12-16,18H2 TWEPAIWYLUBDHG-UHFFFAOYSA-N 50269114 CHEMBL498457::{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}methanol Smoothened homolog Mus musculus 187 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269114&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186314 104115126 CHEMBL498457 ZINC40431395 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071815 OC(=O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C25H23N5O2/c31-25(32)19-10-11-23(26-17-19)29-12-14-30(15-13-29)24-21-9-5-4-8-20(21)22(27-28-24)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H,31,32) OKUDYOSQRBEFPD-UHFFFAOYSA-N 50269113 6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicotinic Acid::CHEMBL523431 Smoothened homolog Mus musculus 1644 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269113&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065069 104115125 CHEMBL523431 ZINC40973293 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071816 N#Cc1ccc(nc1)N1CCCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H24N6/c27-18-21-11-12-25(28-19-21)31-13-6-14-32(16-15-31)26-23-10-5-4-9-22(23)24(29-30-26)17-20-7-2-1-3-8-20/h1-5,7-12,19H,6,13-17H2 QGEYSRVCRYCOOT-UHFFFAOYSA-N 50268550 6-[4-(4-Benzylphthalazin-1-yl)[1,4]diazepan-1-yl]nicotinonitrile::CHEMBL495620 Smoothened homolog Mus musculus 210 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268550&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25067132 104114905 CHEMBL495620 ZINC40955305 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071817 NS(=O)(=O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C24H24N6O2S/c25-33(31,32)19-10-11-23(26-17-19)29-12-14-30(15-13-29)24-21-9-5-4-8-20(21)22(27-28-24)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H2,25,31,32) QRGLOHALUOQSDT-UHFFFAOYSA-N 50269084 6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-sulfonicAcid Amide::CHEMBL495876 Smoothened homolog Mus musculus 104 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269084&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186310 104115115 CHEMBL495876 ZINC40424928 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071818 C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H24N6/c1-19-18-31(13-14-32(19)25-12-11-21(16-27)17-28-25)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m1/s1 ISXNBYFYHJAITP-LJQANCHMSA-N 50268610 6-[(R)-4-(4-Benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitrile::CHEMBL497437 Smoothened homolog Mus musculus 30 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268610&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186480 104114938 CHEMBL497437 ZINC40973575 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071819 COC(=O)c1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C27H24N6O2/c1-35-27(34)21-9-6-19(7-10-21)16-24-22-4-2-3-5-23(22)26(31-30-24)33-14-12-32(13-15-33)25-11-8-20(17-28)18-29-25/h2-11,18H,12-16H2,1H3 MFFKXBCWGKLRSA-UHFFFAOYSA-N 50268548 4-{4-[4-(5-Cyanopyridin-2-yl)piperazin-1-yl]phthalazin-1-ylmethyl}benzoic Acid Methyl Ester::CHEMBL497217 Smoothened homolog Mus musculus 265 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268548&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186431 104114903 CHEMBL497217 ZINC40973285 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071820 Fc1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C25H21FN6/c26-20-8-5-18(6-9-20)15-23-21-3-1-2-4-22(21)25(30-29-23)32-13-11-31(12-14-32)24-10-7-19(16-27)17-28-24/h1-10,17H,11-15H2 PZHMWEYKHTVOIV-UHFFFAOYSA-N 50268492 6-{4-[4-(4-Fluorobenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile::CHEMBL496603 Smoothened homolog Mus musculus 975 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268492&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186429 104114876 CHEMBL496603 ZINC40975889 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071821 CN(C)Cc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H30N6/c1-31(2)20-22-12-13-26(28-19-22)32-14-16-33(17-15-32)27-24-11-7-6-10-23(24)25(29-30-27)18-21-8-4-3-5-9-21/h3-13,19H,14-18,20H2,1-2H3 YAHTVMUYWFSGED-UHFFFAOYSA-N 50269085 CHEMBL495877::{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-ylmethyl}dimethylamine Smoothened homolog Mus musculus 14 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269085&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186312 104115116 CHEMBL495877 ZINC40953704 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071822 C(c1ccncc1)c1nnc(N2CCN(CC2)c2ccccn2)c2ccccc12 InChI=1S/C23H22N6/c1-2-6-20-19(5-1)21(17-18-8-11-24-12-9-18)26-27-23(20)29-15-13-28(14-16-29)22-7-3-4-10-25-22/h1-12H,13-17H2 HVCKRXNCZNJASA-UHFFFAOYSA-N 50268375 1-Pyridin-4-ylmethyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine::CHEMBL497003 Smoothened homolog Mus musculus 4493 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268375&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 20875737 104114809 CHEMBL497003 ZINC33315026 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071823 OC(=O)c1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C26H22N6O2/c27-16-19-7-10-24(28-17-19)31-11-13-32(14-12-31)25-22-4-2-1-3-21(22)23(29-30-25)15-18-5-8-20(9-6-18)26(33)34/h1-10,17H,11-15H2,(H,33,34) AOFZFQXTMXXBDW-UHFFFAOYSA-N 50268549 4-{4-[4-(5-Cyanopyridin-2-yl)piperazin-1-yl]phthalazin-1-ylmethyl}benzoic Acid::CHEMBL497218 Smoothened homolog Mus musculus >5000 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268549&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186114 104114904 CHEMBL497218 ZINC40973287 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071824 C[C@@H]1CN(CCN1c1nnc(Cc2ccccc2)c2ccccc12)c1ccc(cn1)C#N InChI=1S/C26H24N6/c1-19-18-31(25-12-11-21(16-27)17-28-25)13-14-32(19)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m1/s1 AOYORYCIQQUHIQ-LJQANCHMSA-N 50268611 6-[(R)-4-(4-Benzylphthalazin-1-yl)-3-methylpiperazin-1-yl]nicotinonitrile::CHEMBL497639 Smoothened homolog Mus musculus 86 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268611&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186181 104114939 CHEMBL497639 ZINC40975962 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071825 Clc1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C25H21ClN6/c26-20-8-5-18(6-9-20)15-23-21-3-1-2-4-22(21)25(30-29-23)32-13-11-31(12-14-32)24-10-7-19(16-27)17-28-24/h1-10,17H,11-15H2 HZYOJTRPVYPKHR-UHFFFAOYSA-N 50268494 6-{4-[4-(4-Chlorobenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile::CHEMBL496604 Smoothened homolog Mus musculus 498 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268494&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186430 104114878 CHEMBL496604 ZINC40976144 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071826 Clc1cccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)c1 InChI=1S/C25H21ClN6/c26-20-5-3-4-18(14-20)15-23-21-6-1-2-7-22(21)25(30-29-23)32-12-10-31(11-13-32)24-9-8-19(16-27)17-28-24/h1-9,14,17H,10-13,15H2 UWCQBFHABOTGRR-UHFFFAOYSA-N 50268493 6-{4-[4-(3-Chlorobenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile::CHEMBL521900 Smoothened homolog Mus musculus 693 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268493&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065681 104114877 CHEMBL521900 ZINC40425395 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071827 FC(F)(F)c1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C26H21F3N6/c27-26(28,29)20-8-5-18(6-9-20)15-23-21-3-1-2-4-22(21)25(33-32-23)35-13-11-34(12-14-35)24-10-7-19(16-30)17-31-24/h1-10,17H,11-15H2 HHXPOXSFJXKWIY-UHFFFAOYSA-N 50268547 6-{4-[4-(4-Trifluoromethylbenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile::CHEMBL522241 Smoothened homolog Mus musculus 366 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268547&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065893 104114902 CHEMBL522241 ZINC40431124 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071828 N#Cc1ccc(nc1)N1CCN(CC1)c1cnc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H23N5/c27-17-21-10-11-26(29-18-21)31-14-12-30(13-15-31)25-19-28-24(16-20-6-2-1-3-7-20)22-8-4-5-9-23(22)25/h1-11,18-19H,12-16H2 GYIIAGMRYYSGSS-UHFFFAOYSA-N 50268661 6-[4-(1-Benzylisoquinolin-4-yl)piperazin-1-yl]nicotinonitrile::CHEMBL497819 Smoothened homolog Mus musculus >5000 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268661&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25066322 104114958 CHEMBL497819 ZINC40973610 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071829 N#Cc1ccc(nc1)N1CCN(CC1)c1ncc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H23N5/c27-17-21-10-11-25(28-18-21)30-12-14-31(15-13-30)26-24-9-5-4-8-23(24)22(19-29-26)16-20-6-2-1-3-7-20/h1-11,18-19H,12-16H2 SACCJQYKNINQME-UHFFFAOYSA-N 50268662 6-[4-(4-Benzylisoquinolin-1-yl)piperazin-1-yl]nicotinonitrile::CHEMBL497820 Smoothened homolog Mus musculus >5000 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268662&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186183 104114959 CHEMBL497820 ZINC40431391 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071830 N#Cc1ccc(nc1)N1CCC(CC1)c1cn(Cc2ccccc2)c2ccccc12 InChI=1S/C26H24N4/c27-16-21-10-11-26(28-17-21)29-14-12-22(13-15-29)24-19-30(18-20-6-2-1-3-7-20)25-9-5-4-8-23(24)25/h1-11,17,19,22H,12-15,18H2 UHDWNJLWTHGBCP-UHFFFAOYSA-N 50268663 4-(1-Benzyl-1H-indol-3-yl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile::CHEMBL498017 Smoothened homolog Mus musculus 386 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268663&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186184 104114960 CHEMBL498017 ZINC40428698 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071831 C[C@H]1CN(CCN1c1nnc(Cc2ccccc2)c2ccccc12)c1ccc(cn1)C#N InChI=1S/C26H24N6/c1-19-18-31(25-12-11-21(16-27)17-28-25)13-14-32(19)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m0/s1 AOYORYCIQQUHIQ-IBGZPJMESA-N 50268612 6-[(S)-4-(4-Benzylphthalazin-1-yl)-3-methylpiperazin-1-yl]nicotinonitrile::CHEMBL497238 Smoothened homolog Mus musculus 22 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268612&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186482 104114940 CHEMBL497238 ZINC40974868 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071832 C(c1ccncc1)c1nnc(N2CCN(CC2)c2ccccn2)c2ccccc12 InChI=1S/C23H22N6/c1-2-6-20-19(5-1)21(17-18-8-11-24-12-9-18)26-27-23(20)29-15-13-28(14-16-29)22-7-3-4-10-25-22/h1-12H,13-17H2 HVCKRXNCZNJASA-UHFFFAOYSA-N 50268375 1-Pyridin-4-ylmethyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine::CHEMBL497003 Smoothened homolog Mus musculus 3690 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268375&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 20875737 104114809 CHEMBL497003 ZINC33315026 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071833 C[C@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H24N6/c1-19-18-31(13-14-32(19)25-12-11-21(16-27)17-28-25)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m0/s1 ISXNBYFYHJAITP-IBGZPJMESA-N 50268609 6-[(S)-4-(4-Benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitrile::CHEMBL497436 Smoothened homolog Mus musculus 79 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268609&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186115 104114937 CHEMBL497436 ZINC40973573 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071834 C[C@@H]1CN(CCN1c1nnc(Cc2ccccc2)c2ccccc12)c1ccc(cn1)C#N InChI=1S/C26H24N6/c1-19-18-31(25-12-11-21(16-27)17-28-25)13-14-32(19)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m1/s1 AOYORYCIQQUHIQ-LJQANCHMSA-N 50268611 6-[(R)-4-(4-Benzylphthalazin-1-yl)-3-methylpiperazin-1-yl]nicotinonitrile::CHEMBL497639 Smoothened homolog Mus musculus 180 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268611&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186181 104114939 CHEMBL497639 ZINC40975962 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071835 C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H24N6/c1-19-18-31(13-14-32(19)25-12-11-21(16-27)17-28-25)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m1/s1 ISXNBYFYHJAITP-LJQANCHMSA-N 50268610 6-[(R)-4-(4-Benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitrile::CHEMBL497437 Smoothened homolog Mus musculus 17 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268610&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186480 104114938 CHEMBL497437 ZINC40973575 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071836 CC(O)(CO)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H29N5O2/c1-27(34,19-33)21-11-12-25(28-18-21)31-13-15-32(16-14-31)26-23-10-6-5-9-22(23)24(29-30-26)17-20-7-3-2-4-8-20/h2-12,18,33-34H,13-17,19H2,1H3 WMJOBCUAFQWMLG-UHFFFAOYSA-N 50268315 (+/-)-2-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propane-1,2-diol::CHEMBL520858 Smoothened homolog Mus musculus 136 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268315&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186378 104114789 CHEMBL520858 ZINC40423816 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071837 OC1(CC1)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H27N5O/c33-27(12-13-27)21-10-11-25(28-19-21)31-14-16-32(17-15-31)26-23-9-5-4-8-22(23)24(29-30-26)18-20-6-2-1-3-7-20/h1-11,19,33H,12-18H2 VTOXWJFHHUSEIN-UHFFFAOYSA-N 50268314 1-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}cyclopropanol::CHEMBL519219 Smoothened homolog Mus musculus 345 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268314&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186376 104114788 CHEMBL519219 ZINC40420947 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071838 CC(C)(O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H29N5O/c1-27(2,33)21-12-13-25(28-19-21)31-14-16-32(17-15-31)26-23-11-7-6-10-22(23)24(29-30-26)18-20-8-4-3-5-9-20/h3-13,19,33H,14-18H2,1-2H3 KSWYJUIFHPSZOL-UHFFFAOYSA-N 50268313 2-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol::CHEMBL485870 Smoothened homolog Mus musculus 35 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268313&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search A8T 4QIM 24905375 104114787 CHEMBL485870 ZINC43197966 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071839 C(c1ccccc1)c1nnc(N2CCN(CC2)c2ccccn2)c2ccccc12 InChI=1S/C24H23N5/c1-2-8-19(9-3-1)18-22-20-10-4-5-11-21(20)24(27-26-22)29-16-14-28(15-17-29)23-12-6-7-13-25-23/h1-13H,14-18H2 FCTUWPXBMWNCFN-UHFFFAOYSA-N 50269041 1-Benzyl-4-(4-pyridin-2-yl-piperazin-1-yl)phthalazine::CHEMBL496014 Smoothened homolog Mus musculus 258 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269041&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 18526613 104115097 CHEMBL496014 ZINC16480912 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071840 C(c1ccccc1)c1nnc(N2CCN(CC2)c2ccccc2)c2ccccc12 InChI=1S/C25H24N4/c1-3-9-20(10-4-1)19-24-22-13-7-8-14-23(22)25(27-26-24)29-17-15-28(16-18-29)21-11-5-2-6-12-21/h1-14H,15-19H2 PMNLMFUHSIYHHB-UHFFFAOYSA-N 50269040 1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine::CHEMBL496013 Smoothened homolog Mus musculus 414 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269040&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 6404568 104115096 CHEMBL496013 ZINC01393434 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071841 N#Cc1ccc(cc1)C1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H24N4/c28-19-21-10-12-22(13-11-21)23-14-16-31(17-15-23)27-25-9-5-4-8-24(25)26(29-30-27)18-20-6-2-1-3-7-20/h1-13,23H,14-18H2 ZCBPOKGVMMAGFY-UHFFFAOYSA-N 50268660 4-[1-(4-Benzylphthalazin-1-yl)piperidin-4-yl]benzonitrile::CHEMBL495579 Smoothened homolog Mus musculus >5000 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268660&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186182 104114957 CHEMBL495579 ZINC40956241 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071842 FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C25H22F3N5/c26-25(27,28)19-10-11-23(29-17-19)32-12-14-33(15-13-32)24-21-9-5-4-8-20(21)22(30-31-24)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2 NTZIYOUDVSCPRE-UHFFFAOYSA-N 50269042 1-Benzyl-4-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]phthalazine::CHEMBL521558 Smoothened homolog Mus musculus 134 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269042&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25066520 104115098 CHEMBL521558 ZINC40974038 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071843 NS(=O)(=O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C24H24N6O2S/c25-33(31,32)19-10-11-23(26-17-19)29-12-14-30(15-13-29)24-21-9-5-4-8-20(21)22(27-28-24)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H2,25,31,32) QRGLOHALUOQSDT-UHFFFAOYSA-N 50269084 6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-sulfonicAcid Amide::CHEMBL495876 Smoothened homolog Mus musculus 919 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269084&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186310 104115115 CHEMBL495876 ZINC40424928 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071844 NC(=O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C25H24N6O/c26-24(32)19-10-11-23(27-17-19)30-12-14-31(15-13-30)25-21-9-5-4-8-20(21)22(28-29-25)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H2,26,32) BXINLBSXEZUXRW-UHFFFAOYSA-N 50269083 6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicotinamide::CHEMBL495875 Smoothened homolog Mus musculus 149 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269083&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065064 104115114 CHEMBL495875 ZINC40953410 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071845 FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2[nH]cnc12 InChI=1S/C22H20F3N7/c23-22(24,25)16-6-7-18(26-13-16)31-8-10-32(11-9-31)21-20-19(27-14-28-20)17(29-30-21)12-15-4-2-1-3-5-15/h1-7,13-14H,8-12H2,(H,27,28) XPUXVKSBEIUMDI-UHFFFAOYSA-N 50268705 7-Benzyl-4-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]-1Himidazo[4,5-d]pyridazine::CHEMBL497210 Smoothened homolog Mus musculus 724 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268705&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186526 104114980 CHEMBL497210 ZINC40976778 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071846 CN(C)Cc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H30N6/c1-31(2)20-22-12-13-26(28-19-22)32-14-16-33(17-15-32)27-24-11-7-6-10-23(24)25(29-30-27)18-21-8-4-3-5-9-21/h3-13,19H,14-18,20H2,1-2H3 YAHTVMUYWFSGED-UHFFFAOYSA-N 50269085 CHEMBL495877::{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-ylmethyl}dimethylamine Smoothened homolog Mus musculus 246 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269085&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186312 104115116 CHEMBL495877 ZINC40953704 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071847 C(c1ccccc1)c1nnc(N2CCN(CC2)c2ccccc2)c2ccccc12 InChI=1S/C25H24N4/c1-3-9-20(10-4-1)19-24-22-13-7-8-14-23(22)25(27-26-24)29-17-15-28(16-18-29)21-11-5-2-6-12-21/h1-14H,15-19H2 PMNLMFUHSIYHHB-UHFFFAOYSA-N 50269040 1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine::CHEMBL496013 Smoothened homolog Mus musculus 2246 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269040&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 6404568 104115096 CHEMBL496013 ZINC01393434 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071848 C(c1ccccc1)c1nnc(N2CCN(CC2)c2ccccn2)c2ccccc12 InChI=1S/C24H23N5/c1-2-8-19(9-3-1)18-22-20-10-4-5-11-21(20)24(27-26-22)29-16-14-28(15-17-29)23-12-6-7-13-25-23/h1-13H,14-18H2 FCTUWPXBMWNCFN-UHFFFAOYSA-N 50269041 1-Benzyl-4-(4-pyridin-2-yl-piperazin-1-yl)phthalazine::CHEMBL496014 Smoothened homolog Mus musculus 772 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269041&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 18526613 104115097 CHEMBL496014 ZINC16480912 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071849 FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C25H22F3N5/c26-25(27,28)19-10-11-23(29-17-19)32-12-14-33(15-13-32)24-21-9-5-4-8-20(21)22(30-31-24)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2 NTZIYOUDVSCPRE-UHFFFAOYSA-N 50269042 1-Benzyl-4-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]phthalazine::CHEMBL521558 Smoothened homolog Mus musculus 1327 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269042&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25066520 104115098 CHEMBL521558 ZINC40974038 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071850 C[C@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H24N6/c1-19-18-31(13-14-32(19)25-12-11-21(16-27)17-28-25)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m0/s1 ISXNBYFYHJAITP-IBGZPJMESA-N 50268609 6-[(S)-4-(4-Benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitrile::CHEMBL497436 Smoothened homolog Mus musculus 66 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268609&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186115 104114937 CHEMBL497436 ZINC40973573 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071851 FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2occc12 InChI=1S/C23H20F3N5O/c24-23(25,26)17-6-7-20(27-15-17)30-9-11-31(12-10-30)22-18-8-13-32-21(18)19(28-29-22)14-16-4-2-1-3-5-16/h1-8,13,15H,9-12,14H2 SBGNBKAOBXLSTB-UHFFFAOYSA-N 50268703 7-Benzyl-4-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]furo[2,3-d]pyridazine::CHEMBL497412 Smoothened homolog Mus musculus 212 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268703&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186185 104114978 CHEMBL497412 ZINC40425393 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071852 FC(F)(F)c1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C26H21F3N6/c27-26(28,29)20-8-5-18(6-9-20)15-23-21-3-1-2-4-22(21)25(33-32-23)35-13-11-34(12-14-35)24-10-7-19(16-30)17-31-24/h1-10,17H,11-15H2 HHXPOXSFJXKWIY-UHFFFAOYSA-N 50268547 6-{4-[4-(4-Trifluoromethylbenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile::CHEMBL522241 Smoothened homolog Mus musculus 226 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268547&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065893 104114902 CHEMBL522241 ZINC40431124 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071853 FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccoc12 InChI=1S/C23H20F3N5O/c24-23(25,26)17-6-7-20(27-15-17)30-9-11-31(12-10-30)22-21-18(8-13-32-21)19(28-29-22)14-16-4-2-1-3-5-16/h1-8,13,15H,9-12,14H2 QJUIBOLEMOFYRT-UHFFFAOYSA-N 50268704 4-Benzyl-7-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]furo[2,3-d]pyridazine::CHEMBL497209 Smoothened homolog Mus musculus 1798 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268704&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186485 104114979 CHEMBL497209 ZINC40976776 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071854 COC(=O)c1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C27H24N6O2/c1-35-27(34)21-9-6-19(7-10-21)16-24-22-4-2-3-5-23(22)26(31-30-24)33-14-12-32(13-15-33)25-11-8-20(17-28)18-29-25/h2-11,18H,12-16H2,1H3 MFFKXBCWGKLRSA-UHFFFAOYSA-N 50268548 4-{4-[4-(5-Cyanopyridin-2-yl)piperazin-1-yl]phthalazin-1-ylmethyl}benzoic Acid Methyl Ester::CHEMBL497217 Smoothened homolog Mus musculus 165 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268548&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186431 104114903 CHEMBL497217 ZINC40973285 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071855 OC(=O)c1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C26H22N6O2/c27-16-19-7-10-24(28-17-19)31-11-13-32(14-12-31)25-22-4-2-1-3-21(22)23(29-30-25)15-18-5-8-20(9-6-18)26(33)34/h1-10,17H,11-15H2,(H,33,34) AOFZFQXTMXXBDW-UHFFFAOYSA-N 50268549 4-{4-[4-(5-Cyanopyridin-2-yl)piperazin-1-yl]phthalazin-1-ylmethyl}benzoic Acid::CHEMBL497218 Smoothened homolog Mus musculus >5000 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268549&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186114 104114904 CHEMBL497218 ZINC40973287 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071856 N#Cc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C25H22N6/c26-17-20-10-11-24(27-18-20)30-12-14-31(15-13-30)25-22-9-5-4-8-21(22)23(28-29-25)16-19-6-2-1-3-7-19/h1-11,18H,12-16H2 JPZXODFKBNJWRN-UHFFFAOYSA-N 50269082 6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicotinonitrile::CHEMBL497534 Smoothened homolog Mus musculus 821 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269082&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25066518 104115113 CHEMBL497534 ZINC40976510 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071857 N#Cc1ccc(nc1)N1CCCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H24N6/c27-18-21-11-12-25(28-19-21)31-13-6-14-32(16-15-31)26-23-10-5-4-9-22(23)24(29-30-26)17-20-7-2-1-3-8-20/h1-5,7-12,19H,6,13-17H2 QGEYSRVCRYCOOT-UHFFFAOYSA-N 50268550 6-[4-(4-Benzylphthalazin-1-yl)[1,4]diazepan-1-yl]nicotinonitrile::CHEMBL495620 Smoothened homolog Mus musculus 153 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268550&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25067132 104114905 CHEMBL495620 ZINC40955305 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071858 FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2occc12 InChI=1S/C23H20F3N5O/c24-23(25,26)17-6-7-20(27-15-17)30-9-11-31(12-10-30)22-18-8-13-32-21(18)19(28-29-22)14-16-4-2-1-3-5-16/h1-8,13,15H,9-12,14H2 SBGNBKAOBXLSTB-UHFFFAOYSA-N 50268703 7-Benzyl-4-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]furo[2,3-d]pyridazine::CHEMBL497412 Smoothened homolog Mus musculus 2560 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268703&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186185 104114978 CHEMBL497412 ZINC40425393 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071859 CN(C)Cc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H30N6/c1-31(2)20-22-12-13-26(28-19-22)32-14-16-33(17-15-32)27-24-11-7-6-10-23(24)25(29-30-27)18-21-8-4-3-5-9-21/h3-13,19H,14-18,20H2,1-2H3 YAHTVMUYWFSGED-UHFFFAOYSA-N 50269085 CHEMBL495877::{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-ylmethyl}dimethylamine Smoothened homolog Mus musculus 287 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269085&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186312 104115116 CHEMBL495877 ZINC40953704 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071860 FC(F)(F)c1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C26H21F3N6/c27-26(28,29)20-8-5-18(6-9-20)15-23-21-3-1-2-4-22(21)25(33-32-23)35-13-11-34(12-14-35)24-10-7-19(16-30)17-31-24/h1-10,17H,11-15H2 HHXPOXSFJXKWIY-UHFFFAOYSA-N 50268547 6-{4-[4-(4-Trifluoromethylbenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile::CHEMBL522241 Smoothened homolog Mus musculus 1239 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268547&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065893 104114902 CHEMBL522241 ZINC40431124 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071861 NC(=O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C25H24N6O/c26-24(32)19-10-11-23(27-17-19)30-12-14-31(15-13-30)25-21-9-5-4-8-20(21)22(28-29-25)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H2,26,32) BXINLBSXEZUXRW-UHFFFAOYSA-N 50269083 6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicotinamide::CHEMBL495875 Smoothened homolog Mus musculus 173 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269083&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065064 104115114 CHEMBL495875 ZINC40953410 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071800 NC(=O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C25H24N6O/c26-24(32)19-10-11-23(27-17-19)30-12-14-31(15-13-30)25-21-9-5-4-8-20(21)22(28-29-25)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H2,26,32) BXINLBSXEZUXRW-UHFFFAOYSA-N 50269083 6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicotinamide::CHEMBL495875 Smoothened homolog Mus musculus 46 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269083&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065064 104115114 CHEMBL495875 ZINC40953410 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071801 N#Cc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C25H22N6/c26-17-20-10-11-24(27-18-20)30-12-14-31(15-13-30)25-22-9-5-4-8-21(22)23(28-29-25)16-19-6-2-1-3-7-19/h1-11,18H,12-16H2 JPZXODFKBNJWRN-UHFFFAOYSA-N 50269082 6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicotinonitrile::CHEMBL497534 Smoothened homolog Mus musculus 69 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269082&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25066518 104115113 CHEMBL497534 ZINC40976510 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071862 COC(=O)c1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C27H24N6O2/c1-35-27(34)21-9-6-19(7-10-21)16-24-22-4-2-3-5-23(22)26(31-30-24)33-14-12-32(13-15-33)25-11-8-20(17-28)18-29-25/h2-11,18H,12-16H2,1H3 MFFKXBCWGKLRSA-UHFFFAOYSA-N 50268548 4-{4-[4-(5-Cyanopyridin-2-yl)piperazin-1-yl]phthalazin-1-ylmethyl}benzoic Acid Methyl Ester::CHEMBL497217 Smoothened homolog Mus musculus >5000 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268548&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186431 104114903 CHEMBL497217 ZINC40973285 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071863 NS(=O)(=O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C24H24N6O2S/c25-33(31,32)19-10-11-23(26-17-19)29-12-14-30(15-13-29)24-21-9-5-4-8-20(21)22(27-28-24)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H2,25,31,32) QRGLOHALUOQSDT-UHFFFAOYSA-N 50269084 6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-sulfonicAcid Amide::CHEMBL495876 Smoothened homolog Mus musculus 90 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269084&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186310 104115115 CHEMBL495876 ZINC40424928 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071864 N#Cc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C25H22N6/c26-17-20-10-11-24(27-18-20)30-12-14-31(15-13-30)25-22-9-5-4-8-21(22)23(28-29-25)16-19-6-2-1-3-7-19/h1-11,18H,12-16H2 JPZXODFKBNJWRN-UHFFFAOYSA-N 50269082 6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicotinonitrile::CHEMBL497534 Smoothened homolog Mus musculus 71 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269082&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25066518 104115113 CHEMBL497534 ZINC40976510 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071865 FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccoc12 InChI=1S/C23H20F3N5O/c24-23(25,26)17-6-7-20(27-15-17)30-9-11-31(12-10-30)22-21-18(8-13-32-21)19(28-29-22)14-16-4-2-1-3-5-16/h1-8,13,15H,9-12,14H2 QJUIBOLEMOFYRT-UHFFFAOYSA-N 50268704 4-Benzyl-7-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]furo[2,3-d]pyridazine::CHEMBL497209 Smoothened homolog Mus musculus >5000 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268704&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186485 104114979 CHEMBL497209 ZINC40976776 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071866 FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2[nH]cnc12 InChI=1S/C22H20F3N7/c23-22(24,25)16-6-7-18(26-13-16)31-8-10-32(11-9-31)21-20-19(27-14-28-20)17(29-30-21)12-15-4-2-1-3-5-15/h1-7,13-14H,8-12H2,(H,27,28) XPUXVKSBEIUMDI-UHFFFAOYSA-N 50268705 7-Benzyl-4-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]-1Himidazo[4,5-d]pyridazine::CHEMBL497210 Smoothened homolog Mus musculus 1549 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268705&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186526 104114980 CHEMBL497210 ZINC40976778 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071867 OC(=O)c1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C26H22N6O2/c27-16-19-7-10-24(28-17-19)31-11-13-32(14-12-31)25-22-4-2-1-3-21(22)23(29-30-25)15-18-5-8-20(9-6-18)26(33)34/h1-10,17H,11-15H2,(H,33,34) AOFZFQXTMXXBDW-UHFFFAOYSA-N 50268549 4-{4-[4-(5-Cyanopyridin-2-yl)piperazin-1-yl]phthalazin-1-ylmethyl}benzoic Acid::CHEMBL497218 Smoothened homolog Mus musculus >5000 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268549&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186114 104114904 CHEMBL497218 ZINC40973287 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071868 N#Cc1ccc(nc1)N1CCCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H24N6/c27-18-21-11-12-25(28-19-21)31-13-6-14-32(16-15-31)26-23-10-5-4-9-22(23)24(29-30-26)17-20-7-2-1-3-8-20/h1-5,7-12,19H,6,13-17H2 QGEYSRVCRYCOOT-UHFFFAOYSA-N 50268550 6-[4-(4-Benzylphthalazin-1-yl)[1,4]diazepan-1-yl]nicotinonitrile::CHEMBL495620 Smoothened homolog Mus musculus 1632 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268550&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25067132 104114905 CHEMBL495620 ZINC40955305 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071869 CC(=O)NCc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H28N6O/c1-20(34)28-18-22-11-12-26(29-19-22)32-13-15-33(16-14-32)27-24-10-6-5-9-23(24)25(30-31-27)17-21-7-3-2-4-8-21/h2-12,19H,13-18H2,1H3,(H,28,34) FVUDSNFHNJZONL-UHFFFAOYSA-N 50269111 CHEMBL523255::N-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-ylmethyl}acetamide Smoothened homolog Mus musculus 35 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269111&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065894 104115123 CHEMBL523255 ZINC40976467 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071870 OC(=O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C25H23N5O2/c31-25(32)19-10-11-23(26-17-19)29-12-14-30(15-13-29)24-21-9-5-4-8-20(21)22(27-28-24)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H,31,32) OKUDYOSQRBEFPD-UHFFFAOYSA-N 50269113 6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicotinic Acid::CHEMBL523431 Smoothened homolog Mus musculus 2665 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269113&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065069 104115125 CHEMBL523431 ZINC40973293 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071871 CC(C)(N)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C27H30N6/c1-27(2,28)21-12-13-25(29-19-21)32-14-16-33(17-15-32)26-23-11-7-6-10-22(23)24(30-31-26)18-20-8-4-3-5-9-20/h3-13,19H,14-18,28H2,1-2H3 WLZLUGVHAHGDCQ-UHFFFAOYSA-N 50269112 1-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}1-methylethylamine::CHEMBL497266 Smoothened homolog Mus musculus 1.3 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269112&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186313 104115124 CHEMBL497266 ZINC40973291 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071872 OCc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C25H25N5O/c31-18-20-10-11-24(26-17-20)29-12-14-30(15-13-29)25-22-9-5-4-8-21(22)23(27-28-25)16-19-6-2-1-3-7-19/h1-11,17,31H,12-16,18H2 TWEPAIWYLUBDHG-UHFFFAOYSA-N 50269114 CHEMBL498457::{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}methanol Smoothened homolog Mus musculus 374 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269114&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186314 104115126 CHEMBL498457 ZINC40431395 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071873 N#Cc1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C26H21N7/c27-16-20-7-5-19(6-8-20)15-24-22-3-1-2-4-23(22)26(31-30-24)33-13-11-32(12-14-33)25-10-9-21(17-28)18-29-25/h1-10,18H,11-15H2 FEGUPQZONWIBEH-UHFFFAOYSA-N 50268495 6-{4-[4-(4-Cyanobenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile::CHEMBL495608 Smoothened homolog Mus musculus 20 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268495&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065678 104114879 CHEMBL495608 ZINC40954003 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071874 Clc1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C25H21ClN6/c26-20-8-5-18(6-9-20)15-23-21-3-1-2-4-22(21)25(30-29-23)32-13-11-31(12-14-32)24-10-7-19(16-27)17-28-24/h1-10,17H,11-15H2 HZYOJTRPVYPKHR-UHFFFAOYSA-N 50268494 6-{4-[4-(4-Chlorobenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile::CHEMBL496604 Smoothened homolog Mus musculus 48 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268494&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186430 104114878 CHEMBL496604 ZINC40976144 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071875 Clc1cccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)c1 InChI=1S/C25H21ClN6/c26-20-5-3-4-18(14-20)15-23-21-6-1-2-7-22(21)25(30-29-23)32-12-10-31(11-13-32)24-9-8-19(16-27)17-28-24/h1-9,14,17H,10-13,15H2 UWCQBFHABOTGRR-UHFFFAOYSA-N 50268493 6-{4-[4-(3-Chlorobenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile::CHEMBL521900 Smoothened homolog Mus musculus 112 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268493&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25065681 104114877 CHEMBL521900 ZINC40425395 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071876 Fc1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1 InChI=1S/C25H21FN6/c26-20-8-5-18(6-9-20)15-23-21-3-1-2-4-22(21)25(30-29-23)32-13-11-31(12-14-32)24-10-7-19(16-27)17-28-24/h1-10,17H,11-15H2 PZHMWEYKHTVOIV-UHFFFAOYSA-N 50268492 6-{4-[4-(4-Fluorobenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile::CHEMBL496603 Smoothened homolog Mus musculus 112 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268492&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186429 104114876 CHEMBL496603 ZINC40975889 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50071877 CC(O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 InChI=1S/C26H27N5O/c1-19(32)21-11-12-25(27-18-21)30-13-15-31(16-14-30)26-23-10-6-5-9-22(23)24(28-29-26)17-20-7-3-2-4-8-20/h2-12,18-19,32H,13-17H2,1H3 KDLLHJVVUKOKAC-UHFFFAOYSA-N 50268312 1-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}ethanol::CHEMBL485869 Smoothened homolog Mus musculus 61 ChEMBL 10.1021/jm900309j 10.7270/Q2CN73T7 19469545 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268312&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44186375 104114786 CHEMBL485869 ZINC45484440 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526263 C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(=O)C=C12)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 InChI=1S/C25H27ClN2O2/c1-15-6-9-20(21-14-18(29)8-10-19(15)21)16(2)25(30)28-17-7-11-23(26)22(13-17)24-5-3-4-12-27-24/h3-5,7,11-16,19-20H,6,8-10H2,1-2H3,(H,28,30)/t15-,16-,19+,20+/m1/s1 ZBCOVOBWNJSRMN-YKCBXCCJSA-N 50200475 CHEMBL3913172 Smoothened homolog Mus musculus >1000 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200475&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134142734 375978928 CHEMBL3913172 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526264 C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2C=CC(=O)C[C@H]12)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 InChI=1S/C25H27ClN2O2/c1-15-6-9-20(21-14-18(29)8-10-19(15)21)16(2)25(30)28-17-7-11-23(26)22(13-17)24-5-3-4-12-27-24/h3-5,7-8,10-13,15-16,19-21H,6,9,14H2,1-2H3,(H,28,30)/t15-,16-,19+,20+,21+/m1/s1 VTWLMYAQHOTLFJ-QANQIFJLSA-N 50200476 CHEMBL3950902 Smoothened homolog Mus musculus >1000 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200476&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134147800 375978929 CHEMBL3950902 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526265 C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1cccc(c1C)-c1ccc(OC(F)(F)F)cc1 InChI=1S/C28H29F3N2O2/c1-16-8-14-24(26-22(16)15-9-17(2)32-26)19(4)27(34)33-25-7-5-6-23(18(25)3)20-10-12-21(13-11-20)35-28(29,30)31/h5-7,9-13,15-16,19,24H,8,14H2,1-4H3,(H,33,34)/t16-,19-,24+/m1/s1 HKUGMAKDLSHOLT-XKPFWTEKSA-N 50200477 CHEMBL3909304 Smoothened homolog Mus musculus 1000 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200477&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134133070 375978930 CHEMBL3909304 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526266 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24) BPQMGSKTAYIVFO-UHFFFAOYSA-N 50249522 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide::CHEMBL473417::VISMODEGIB Smoothened homolog Mus musculus 39 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249522&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search VIS 8HJE,5L7I 24776445 104103799 66903 CHEMBL473417 DB08828 6975 ZINC40899447 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526268 C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1noc(C)n1 InChI=1S/C23H25ClN4O2/c1-12-5-8-18(21-17(12)9-6-13(2)25-21)14(3)23(29)27-16-7-10-20(24)19(11-16)22-26-15(4)30-28-22/h6-7,9-12,14,18H,5,8H2,1-4H3,(H,27,29)/t12-,14-,18+/m1/s1 BUAQQQXCXVROEG-DFHBCGBQSA-N 50200479 CHEMBL3906154 Smoothened homolog Mus musculus >1000 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200479&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134135949 375978932 CHEMBL3906154 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526269 C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C InChI=1S/C28H29ClN4O/c1-16-9-12-21(26-20(16)13-10-17(2)30-26)18(3)28(34)31-19-11-14-23(29)22(15-19)27-32-24-7-5-6-8-25(24)33(27)4/h5-8,10-11,13-16,18,21H,9,12H2,1-4H3,(H,31,34)/t16-,18-,21+/m1/s1 JMXYJARAWTZWPL-BLIXFSHQSA-N 50200480 CHEMBL3965352 Smoothened homolog Mus musculus 24 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200480&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 132991430 375978933 CHEMBL3965352 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526271 C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccc(OC(F)(F)F)cc2n1C InChI=1S/C29H28ClF3N4O2/c1-15-5-9-21(26-20(15)10-6-16(2)34-26)17(3)28(38)35-18-7-11-23(30)22(13-18)27-36-24-12-8-19(39-29(31,32)33)14-25(24)37(27)4/h6-8,10-15,17,21H,5,9H2,1-4H3,(H,35,38)/t15-,17-,21+/m1/s1 BGMHGWBNXBMNQS-CEQIKUNHSA-N 50200482 CHEMBL3978393 Smoothened homolog Mus musculus 53 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200482&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134152007 375978935 CHEMBL3978393 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50163573 C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(F)(F)F)c2ccccc12)C(=O)c1ccccc1 InChI=1S/C27H23F3N4O/c1-18-17-33(26(35)20-7-3-2-4-8-20)15-16-34(18)25-23-10-6-5-9-22(23)24(31-32-25)19-11-13-21(14-12-19)27(28,29)30/h2-14,18H,15-17H2,1H3/t18-/m1/s1 DEEQMQGTBCCINJ-GOSISDBHSA-N 50320369 (R)-(3-methyl-4-(4-(4-(trifluoromethyl)phenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone::CHEMBL1084738 Smoothened homolog Mus musculus 0.002000 ChEMBL 10.1016/j.bmcl.2010.06.006 10.7270/Q2H13268 20594845 Kaizerman, JA; Aaron, W; An, S; Austin, R; Brown, M; Chong, A; Huang, T; Hungate, R; Jiang, B; Johnson, MG; Lee, G; Lucas, BS; Orf, J; Rong, M; Toteva, MM; Wickramasinghe, D; Xu, G; Ye, Q; Zhong, W; McMinn, DL Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320369&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25255940 104141898 CHEMBL1084738 ZINC43201962 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50163574 C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(F)(F)F)c2ccncc12)C(=O)c1ccccc1 InChI=1S/C26H22F3N5O/c1-17-16-33(25(35)19-5-3-2-4-6-19)13-14-34(17)24-22-15-30-12-11-21(22)23(31-32-24)18-7-9-20(10-8-18)26(27,28)29/h2-12,15,17H,13-14,16H2,1H3/t17-/m1/s1 ASPCZWIUJMXPKZ-QGZVFWFLSA-N 50323147 (R)-(3-methyl-4-(1-(4-(trifluoromethyl)phenyl)pyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)(phenyl)methanone::CHEMBL1209455 Smoothened homolog Mus musculus 0.700000 ChEMBL 10.1016/j.bmcl.2010.06.006 10.7270/Q2H13268 20594845 Kaizerman, JA; Aaron, W; An, S; Austin, R; Brown, M; Chong, A; Huang, T; Hungate, R; Jiang, B; Johnson, MG; Lee, G; Lucas, BS; Orf, J; Rong, M; Toteva, MM; Wickramasinghe, D; Xu, G; Ye, Q; Zhong, W; McMinn, DL Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323147&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25226761 117644468 CHEMBL1209455 ZINC58494296 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50163575 C[C@@H]1CN(CCN1c1nnc(-c2ccccc2)c2ccncc12)C(=O)c1ccccc1 InChI=1S/C25H23N5O/c1-18-17-29(25(31)20-10-6-3-7-11-20)14-15-30(18)24-22-16-26-13-12-21(22)23(27-28-24)19-8-4-2-5-9-19/h2-13,16,18H,14-15,17H2,1H3/t18-/m1/s1 RPUBLKXADWXFEL-GOSISDBHSA-N 50323146 (R)-(3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)(phenyl)methanone::CHEMBL1209454 Smoothened homolog Mus musculus 3 ChEMBL 10.1016/j.bmcl.2010.06.006 10.7270/Q2H13268 20594845 Kaizerman, JA; Aaron, W; An, S; Austin, R; Brown, M; Chong, A; Huang, T; Hungate, R; Jiang, B; Johnson, MG; Lee, G; Lucas, BS; Orf, J; Rong, M; Toteva, MM; Wickramasinghe, D; Xu, G; Ye, Q; Zhong, W; McMinn, DL Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323146&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25226762 117644467 CHEMBL1209454 ZINC58494413 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50162945 O=C(N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12)c1cccs1 InChI=1S/C23H20N4OS/c28-23(20-11-6-16-29-20)27-14-12-26(13-15-27)22-19-10-5-4-9-18(19)21(24-25-22)17-7-2-1-3-8-17/h1-11,16H,12-15H2 NZMPJXCOZWTZBJ-UHFFFAOYSA-N 50320366 (4-(4-phenylphthalazin-1-yl)piperazin-1-yl)(thiophen-2-yl)methanone::CHEMBL1084301 Smoothened homolog Mus musculus 22 ChEMBL 10.1016/j.bmcl.2010.04.110 10.7270/Q2WQ03ZQ 20493695 Lucas, BS; Aaron, W; An, S; Austin, RJ; Brown, M; Chan, H; Chong, A; Hungate, R; Huang, T; Jiang, B; Johnson, MG; Kaizerman, JA; Lee, G; McMinn, DL; Orf, J; Powers, JP; Rong, M; Toteva, MM; Uyeda, C; Wickramasinghe, D; Xu, G; Ye, Q; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320366&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 2951813 104141895 CHEMBL1084301 ZINC01113226 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526272 C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1nc2cc(OC(F)(F)F)ccc2n1C InChI=1S/C29H28ClF3N4O2/c1-15-5-9-21(26-20(15)10-6-16(2)34-26)17(3)28(38)35-18-7-11-23(30)22(13-18)27-36-24-14-19(39-29(31,32)33)8-12-25(24)37(27)4/h6-8,10-15,17,21H,5,9H2,1-4H3,(H,35,38)/t15-,17-,21+/m1/s1 OLFLHBPHXDMFBX-CEQIKUNHSA-N 50200483 CHEMBL3979327 Smoothened homolog Mus musculus 85 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200483&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134151929 375978936 CHEMBL3979327 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526273 C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1 InChI=1S/C27H27ClN4O/c1-15-8-11-20(25-19(15)12-9-16(2)29-25)17(3)27(33)30-18-10-13-22(28)21(14-18)26-31-23-6-4-5-7-24(23)32-26/h4-7,9-10,12-15,17,20H,8,11H2,1-3H3,(H,30,33)(H,31,32)/t15-,17-,20+/m1/s1 BNLXSWAXHNDUIW-MDYRTPRTSA-N 50200484 CHEMBL3960082 Smoothened homolog Mus musculus 46 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200484&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134155965 375978937 CHEMBL3960082 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526274 C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1nnc(s1)-c1ccnn1C InChI=1S/C26H27ClN6OS/c1-14-5-8-19(23-18(14)9-6-15(2)29-23)16(3)24(34)30-17-7-10-21(27)20(13-17)25-31-32-26(35-25)22-11-12-28-33(22)4/h6-7,9-14,16,19H,5,8H2,1-4H3,(H,30,34)/t14-,16-,19+/m1/s1 LOQPFPMIOLQJTQ-OGWOLHLISA-N 50200485 CHEMBL3941556 Smoothened homolog Mus musculus 265 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200485&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134146294 375978938 CHEMBL3941556 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526275 C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1nnc(o1)-c1ccnn1C InChI=1S/C26H27ClN6O2/c1-14-5-8-19(23-18(14)9-6-15(2)29-23)16(3)24(34)30-17-7-10-21(27)20(13-17)25-31-32-26(35-25)22-11-12-28-33(22)4/h6-7,9-14,16,19H,5,8H2,1-4H3,(H,30,34)/t14-,16-,19+/m1/s1 PGAYHJCRHZFARK-OGWOLHLISA-N 50200486 CHEMBL3976847 Smoothened homolog Mus musculus 588 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200486&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134152881 375978939 CHEMBL3976847 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526276 C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1ccc(cn1)N1C[C@H](C)O[C@H](C)C1 InChI=1S/C31H37ClN4O2/c1-18-6-10-26(30-25(18)11-7-19(2)34-30)22(5)31(37)35-23-8-12-28(32)27(14-23)29-13-9-24(15-33-29)36-16-20(3)38-21(4)17-36/h7-9,11-15,18,20-22,26H,6,10,16-17H2,1-5H3,(H,35,37)/t18-,20-,21+,22-,26+/m1/s1 VHNMJYCHZDSMID-ZQATVHPOSA-N 50200487 CHEMBL3948161 Smoothened homolog Mus musculus >1000 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200487&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134147946 375978940 CHEMBL3948161 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526277 C[C@H]([C@@H]1CC[C@@H](C)c2ccc(CN3CCOCC3)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 InChI=1S/C29H33ClN4O2/c1-19-6-9-24(28-23(19)10-7-22(32-28)18-34-13-15-36-16-14-34)20(2)29(35)33-21-8-11-26(30)25(17-21)27-5-3-4-12-31-27/h3-5,7-8,10-12,17,19-20,24H,6,9,13-16,18H2,1-2H3,(H,33,35)/t19-,20-,24+/m1/s1 QIPSSQCEYCIPGI-REHUZNOOSA-N 50200481 CHEMBL3986017 Smoothened homolog Mus musculus 155 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200481&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134157894 375978934 CHEMBL3986017 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526278 C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2Cc3cnn(c3C[C@H]12)-c1ccccc1)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 InChI=1S/C32H33ClN4O/c1-20-11-13-25(27-18-31-22(16-26(20)27)19-35-37(31)24-8-4-3-5-9-24)21(2)32(38)36-23-12-14-29(33)28(17-23)30-10-6-7-15-34-30/h3-10,12,14-15,17,19-21,25-27H,11,13,16,18H2,1-2H3,(H,36,38)/t20-,21-,25+,26+,27-/m1/s1 YESYYUXNJQLDGA-RDQZFCRKSA-N 50200488 CHEMBL3890559 Smoothened homolog Mus musculus 327 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200488&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134137166 375978941 CHEMBL3890559 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526279 C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2Cc3sc(C)nc3C[C@H]12)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 InChI=1S/C27H30ClN3OS/c1-15-7-9-19(21-13-25-26(14-20(15)21)33-17(3)30-25)16(2)27(32)31-18-8-10-23(28)22(12-18)24-6-4-5-11-29-24/h4-6,8,10-12,15-16,19-21H,7,9,13-14H2,1-3H3,(H,31,32)/t15-,16-,19+,20+,21-/m1/s1 AAUUNSQBGGSYMB-RLVOKJKJSA-N 50200489 CHEMBL3959631 Smoothened homolog Mus musculus >1000 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200489&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134155363 375978942 CHEMBL3959631 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526280 C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(O)C[C@H]12)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 InChI=1S/C25H31ClN2O2/c1-15-6-9-20(21-14-18(29)8-10-19(15)21)16(2)25(30)28-17-7-11-23(26)22(13-17)24-5-3-4-12-27-24/h3-5,7,11-13,15-16,18-21,29H,6,8-10,14H2,1-2H3,(H,28,30)/t15-,16-,18?,19+,20+,21+/m1/s1 SUKVSGKOIMEXGX-XVPKGPJRSA-N 50200490 CHEMBL3979853 Smoothened homolog Mus musculus >1000 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200490&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134151543 375978943 CHEMBL3979853 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526281 C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(=O)C[C@H]12)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 InChI=1S/C25H29ClN2O2/c1-15-6-9-20(21-14-18(29)8-10-19(15)21)16(2)25(30)28-17-7-11-23(26)22(13-17)24-5-3-4-12-27-24/h3-5,7,11-13,15-16,19-21H,6,8-10,14H2,1-2H3,(H,28,30)/t15-,16-,19+,20+,21+/m1/s1 WPGWBJFFTHWZIM-QANQIFJLSA-N 50200491 CHEMBL3971787 Smoothened homolog Mus musculus 290 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200491&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134153810 375978944 CHEMBL3971787 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526282 C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc(Cl)c(c3)-c3ccccn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4 InChI=1S/C28H33ClN2O4/c1-16-7-9-21-17(2)24(33-26-28(21)20(16)11-12-27(3,34-26)35-28)15-25(32)31-18-8-10-22(29)19(14-18)23-6-4-5-13-30-23/h4-6,8,10,13-14,16-17,20-21,24,26H,7,9,11-12,15H2,1-3H3,(H,31,32)/t16-,17-,20+,21+,24-,26-,27-,28-/m1/s1 LTFFQOQZXKPQLO-WSGLMESZSA-N 50200492 CHEMBL3933195 Smoothened homolog Mus musculus 184 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200492&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134139096 375978945 CHEMBL3933195 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526283 C[C@@H]1CC[C@H]2[C@](C)(OC3O[C@@]4(C)CC[C@@H]1[C@@]23OO4)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 InChI=1S/C26H29ClN2O5/c1-15-7-10-21-25(3,32-23-26(21)18(15)11-12-24(2,31-23)33-34-26)22(30)29-16-8-9-19(27)17(14-16)20-6-4-5-13-28-20/h4-6,8-9,13-15,18,21,23H,7,10-12H2,1-3H3,(H,29,30)/t15-,18+,21+,23?,24-,25+,26-/m1/s1 YMVFMEJSPJLVTH-VGBVCGLRSA-N 50200493 CHEMBL3951963 Smoothened homolog Mus musculus 180 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200493&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134143997 375978946 CHEMBL3951963 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526284 C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C InChI=1S/C28H29ClN4O/c1-16-9-12-21(26-20(16)13-10-17(2)30-26)18(3)28(34)31-19-11-14-23(29)22(15-19)27-32-24-7-5-6-8-25(24)33(27)4/h5-8,10-11,13-16,18,21H,9,12H2,1-4H3,(H,31,34)/t16-,18-,21+/m1/s1 JMXYJARAWTZWPL-BLIXFSHQSA-N 50200480 CHEMBL3965352 Smoothened homolog Mus musculus 47 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200480&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 132991430 375978933 CHEMBL3965352 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526285 C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2o1 InChI=1S/C27H26ClN3O2/c1-15-8-11-20(25-19(15)12-9-16(2)29-25)17(3)26(32)30-18-10-13-22(28)21(14-18)27-31-23-6-4-5-7-24(23)33-27/h4-7,9-10,12-15,17,20H,8,11H2,1-3H3,(H,30,32)/t15-,17-,20+/m1/s1 RGHIUACNCDFLPP-MDYRTPRTSA-N 50200494 CHEMBL3980443 Smoothened homolog Mus musculus 243 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200494&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134157506 375978947 CHEMBL3980443 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526286 COC(=O)[C@H](C)c1ccc(C)c2ccc(nc12)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 InChI=1S/C26H22ClN3O3/c1-15-7-9-19(16(2)26(32)33-3)24-18(15)10-12-23(30-24)25(31)29-17-8-11-21(27)20(14-17)22-6-4-5-13-28-22/h4-14,16H,1-3H3,(H,29,31)/t16-/m1/s1 XFVHLKZDDHYLSX-MRXNPFEDSA-N 50200495 CHEMBL3949509 Smoothened homolog Mus musculus 270 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200495&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134147491 375978948 CHEMBL3949509 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526287 C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2Cc3c(C[C@H]12)n(C)c1ccccc31)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 InChI=1S/C32H34ClN3O/c1-19-11-13-22(25-18-31-26(17-24(19)25)23-8-4-5-10-30(23)36(31)3)20(2)32(37)35-21-12-14-28(33)27(16-21)29-9-6-7-15-34-29/h4-10,12,14-16,19-20,22,24-25H,11,13,17-18H2,1-3H3,(H,35,37)/t19-,20-,22+,24+,25-/m1/s1 RXVLUIAXECSAFS-NGQKKBAQSA-N 50200496 CHEMBL3977846 Smoothened homolog Mus musculus 476 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200496&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134152501 375978949 CHEMBL3977846 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399202 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24) BPQMGSKTAYIVFO-UHFFFAOYSA-N 50249522 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide::CHEMBL473417::VISMODEGIB Smoothened homolog Mus musculus 16 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249522&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search VIS 8HJE,5L7I 24776445 104103799 66903 CHEMBL473417 DB08828 6975 ZINC40899447 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399203 CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27) YGBMCLDVRUGXOV-UHFFFAOYSA-N 50343200 CHEMBL1615189::N-(6-(6-Chloro-5-(4-fluorophenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide::N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide Smoothened homolog Mus musculus 120 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50343200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50343200&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search QK0 3QK0 50990924 131346136 CHEMBL1615189 ZINC64744203 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399204 Clc1cccc(c1)C(=O)Nc1cc(cnc1Cl)-c1ccc2nc(NCC3CC3)sc2c1 InChI=1S/C23H18Cl2N4OS/c24-17-3-1-2-15(8-17)22(30)28-19-9-16(12-26-21(19)25)14-6-7-18-20(10-14)31-23(29-18)27-11-13-4-5-13/h1-3,6-10,12-13H,4-5,11H2,(H,27,29)(H,28,30) VSYXKTJYHCGIGG-UHFFFAOYSA-N 50113485 CHEMBL3604625 Smoothened homolog Mus musculus 190 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113485&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 122185883 319493716 CHEMBL3604625 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399205 Clc1ncc(cc1NC(=O)c1ccccc1)-c1ccc2nc(NCC3CC3)sc2c1 InChI=1S/C23H19ClN4OS/c24-21-19(27-22(29)15-4-2-1-3-5-15)10-17(13-25-21)16-8-9-18-20(11-16)30-23(28-18)26-12-14-6-7-14/h1-5,8-11,13-14H,6-7,12H2,(H,26,28)(H,27,29) WTIQLXISMIJHAK-UHFFFAOYSA-N 50113486 CHEMBL3604624 Smoothened homolog Mus musculus 150 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113486&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 122185882 319493717 CHEMBL3604624 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399206 Clc1cccc(c1)C(=O)Nc1cc(cnc1Cl)-c1ccc2nc(NC3CC3)sc2c1 InChI=1S/C22H16Cl2N4OS/c23-15-3-1-2-13(8-15)21(29)27-18-9-14(11-25-20(18)24)12-4-7-17-19(10-12)30-22(28-17)26-16-5-6-16/h1-4,7-11,16H,5-6H2,(H,26,28)(H,27,29) IACDQKWPLBPDSV-UHFFFAOYSA-N 50113487 CHEMBL3604623 Smoothened homolog Mus musculus 150 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113487&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 122185881 319493718 CHEMBL3604623 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399207 Clc1ncc(cc1NC(=O)c1ccccc1)-c1ccc2nc(NC3CC3)sc2c1 InChI=1S/C22H17ClN4OS/c23-20-18(26-21(28)13-4-2-1-3-5-13)10-15(12-24-20)14-6-9-17-19(11-14)29-22(27-17)25-16-7-8-16/h1-6,9-12,16H,7-8H2,(H,25,27)(H,26,28) MABJHKMPCZXFBN-UHFFFAOYSA-N 50113488 CHEMBL3604622 Smoothened homolog Mus musculus 210 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113488&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 122185880 319493719 CHEMBL3604622 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399208 CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(C#N)c2ccccc2)c1 InChI=1S/C22H16ClN5OS/c1-13(29)26-22-28-17-8-7-15(10-20(17)30-22)16-9-18(21(23)25-12-16)27-19(11-24)14-5-3-2-4-6-14/h2-10,12,19,27H,1H3,(H,26,28,29) RUGCYCMPTFYHPF-UHFFFAOYSA-N 50113489 CHEMBL3604621 Smoothened homolog Mus musculus 100 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113489&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 122185879 319493720 CHEMBL3604621 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399402 CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NCc2ccccc2)c1 InChI=1S/C21H17ClN4OS/c1-13(27)25-21-26-17-8-7-15(10-19(17)28-21)16-9-18(20(22)24-12-16)23-11-14-5-3-2-4-6-14/h2-10,12,23H,11H2,1H3,(H,25,26,27) LMMYZDOSQIYPHS-UHFFFAOYSA-N 50113490 CHEMBL3604620 Smoothened homolog Mus musculus 940 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113490&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 122185878 319493721 CHEMBL3604620 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399403 CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)Cc2ccccc2)c1 InChI=1S/C22H17ClN4O2S/c1-13(28)25-22-27-17-8-7-15(11-19(17)30-22)16-10-18(21(23)24-12-16)26-20(29)9-14-5-3-2-4-6-14/h2-8,10-12H,9H2,1H3,(H,26,29)(H,25,27,28) VQQHHCLBHNOQRQ-UHFFFAOYSA-N 50113499 CHEMBL3604619 Smoothened homolog Mus musculus 3400 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113499&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 122185877 104007773 CHEMBL3604619 ZINC13442145 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399404 CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)C2CC2)c1 InChI=1S/C18H15ClN4O2S/c1-9(24)21-18-23-13-5-4-11(7-15(13)26-18)12-6-14(16(19)20-8-12)22-17(25)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,25)(H,21,23,24) PZSXBURWEWVKIR-UHFFFAOYSA-N 50113500 CHEMBL3604618 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113500&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 122185876 104007774 CHEMBL3604618 ZINC13442134 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399405 CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccc(C)cc2)c1 InChI=1S/C22H17ClN4O2S/c1-12-3-5-14(6-4-12)21(29)26-18-9-16(11-24-20(18)23)15-7-8-17-19(10-15)30-22(27-17)25-13(2)28/h3-11H,1-2H3,(H,26,29)(H,25,27,28) YJSDITZISOKGAR-UHFFFAOYSA-N 50113501 CHEMBL3604617 Smoothened homolog Mus musculus 810 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113501&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 122185875 104007775 CHEMBL3604617 ZINC03940690 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399406 CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccc(F)cc2)c1 InChI=1S/C21H14ClFN4O2S/c1-11(28)25-21-27-16-7-4-13(9-18(16)30-21)14-8-17(19(22)24-10-14)26-20(29)12-2-5-15(23)6-3-12/h2-10H,1H3,(H,26,29)(H,25,27,28) DRJZUAZDYUBLQP-UHFFFAOYSA-N 50113502 CHEMBL3604616 Smoothened homolog Mus musculus 170 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113502&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 122185874 104007776 CHEMBL3604616 ZINC00165451 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399407 CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2cccc(F)c2)c1 InChI=1S/C21H14ClFN4O2S/c1-11(28)25-21-27-16-6-5-12(9-18(16)30-21)14-8-17(19(22)24-10-14)26-20(29)13-3-2-4-15(23)7-13/h2-10H,1H3,(H,26,29)(H,25,27,28) GZUQPOFBGVLSQM-UHFFFAOYSA-N 50113503 CHEMBL3604615 Smoothened homolog Mus musculus 5000 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113503&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 122185873 104007777 CHEMBL3604615 ZINC29309831 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399408 CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccccc2F)c1 InChI=1S/C21H14ClFN4O2S/c1-11(28)25-21-27-16-7-6-12(9-18(16)30-21)13-8-17(19(22)24-10-13)26-20(29)14-4-2-3-5-15(14)23/h2-10H,1H3,(H,26,29)(H,25,27,28) VFZTVIBLFPNQFU-UHFFFAOYSA-N 50113504 CHEMBL3604614 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113504&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 122185872 104007778 CHEMBL3604614 ZINC29248710 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399409 CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1 InChI=1S/C21H14Cl2N4O2S/c1-11(28)25-21-27-16-7-4-13(9-18(16)30-21)14-8-17(19(23)24-10-14)26-20(29)12-2-5-15(22)6-3-12/h2-10H,1H3,(H,26,29)(H,25,27,28) NHFYIKULOXAKGA-UHFFFAOYSA-N 50113505 CHEMBL3604613 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113505&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 122185871 104007779 CHEMBL3604613 ZINC13442155 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399410 CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2cccc(Cl)c2)c1 InChI=1S/C21H14Cl2N4O2S/c1-11(28)25-21-27-16-6-5-12(9-18(16)30-21)14-8-17(19(23)24-10-14)26-20(29)13-3-2-4-15(22)7-13/h2-10H,1H3,(H,26,29)(H,25,27,28) FNHRFDMOXHKTPK-UHFFFAOYSA-N 50113483 CHEMBL3604612 Smoothened homolog Mus musculus 41 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113483&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 122185870 319493714 CHEMBL3604612 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399411 CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccccc2Cl)c1 InChI=1S/C21H14Cl2N4O2S/c1-11(28)25-21-27-16-7-6-12(9-18(16)30-21)13-8-17(19(23)24-10-13)26-20(29)14-4-2-3-5-15(14)22/h2-10H,1H3,(H,26,29)(H,25,27,28) WYIFAYGGONUSGQ-UHFFFAOYSA-N 50113506 CHEMBL3604611 Smoothened homolog Mus musculus 4100 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113506&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 122185869 104007780 CHEMBL3604611 ZINC13442163 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50399412 CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccccc2)c1 InChI=1S/C21H15ClN4O2S/c1-12(27)24-21-26-16-8-7-14(10-18(16)29-21)15-9-17(19(22)23-11-15)25-20(28)13-5-3-2-4-6-13/h2-11H,1H3,(H,25,28)(H,24,26,27) AMKJOZJHIFQMGK-UHFFFAOYSA-N 50113484 CHEMBL3604610 Smoothened homolog Mus musculus 64 ChEMBL 10.1016/j.bmcl.2015.06.049 10.7270/Q27S7QJ7 26119500 Yang, Z; Ma, H; Sun, Z; Luo, L; Tian, S; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113484&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 122185868 319493715 CHEMBL3604610 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526290 C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2s1 InChI=1S/C27H26ClN3OS/c1-15-8-11-20(25-19(15)12-9-16(2)29-25)17(3)26(32)30-18-10-13-22(28)21(14-18)27-31-23-6-4-5-7-24(23)33-27/h4-7,9-10,12-15,17,20H,8,11H2,1-3H3,(H,30,32)/t15-,17-,20+/m1/s1 KPFRXMSHVWUIES-MDYRTPRTSA-N 50200499 CHEMBL3932585 Smoothened homolog Mus musculus 282 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200499&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134138280 375978951 CHEMBL3932585 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526291 C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1nc(no1)C1CC1 InChI=1S/C25H27ClN4O2/c1-13-4-9-19(22-18(13)10-5-14(2)27-22)15(3)24(31)28-17-8-11-21(26)20(12-17)25-29-23(30-32-25)16-6-7-16/h5,8,10-13,15-16,19H,4,6-7,9H2,1-3H3,(H,28,31)/t13-,15-,19+/m1/s1 ZUOAPSOEDVMEJO-MUKKUYKPSA-N 50200500 CHEMBL3968327 Smoothened homolog Mus musculus 220 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200500&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134150938 375978952 CHEMBL3968327 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526292 C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2Cc3sc(NC(C)=O)nc3C[C@H]12)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 InChI=1S/C28H31ClN4O2S/c1-15-7-9-19(21-13-25-26(14-20(15)21)36-28(33-25)31-17(3)34)16(2)27(35)32-18-8-10-23(29)22(12-18)24-6-4-5-11-30-24/h4-6,8,10-12,15-16,19-21H,7,9,13-14H2,1-3H3,(H,32,35)(H,31,33,34)/t15-,16-,19+,20+,21-/m1/s1 FPOARNGOMVMKNX-RLVOKJKJSA-N 50200501 CHEMBL3890551 Smoothened homolog Mus musculus >1000 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200501&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134137082 375978953 CHEMBL3890551 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526293 C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc(Cl)c(c3)-c3ccccn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 InChI=1S/C28H33ClN2O5/c1-16-7-9-21-17(2)24(33-26-28(21)20(16)11-12-27(3,34-26)35-36-28)15-25(32)31-18-8-10-22(29)19(14-18)23-6-4-5-13-30-23/h4-6,8,10,13-14,16-17,20-21,24,26H,7,9,11-12,15H2,1-3H3,(H,31,32)/t16-,17-,20+,21+,24-,26-,27-,28-/m1/s1 FYBFXVILVGDINR-WSGLMESZSA-N 50200498 CHEMBL3924243 Smoothened homolog Mus musculus 241 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200498&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134142019 375978950 CHEMBL3924243 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526294 C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C InChI=1S/C28H29ClN4O/c1-16-9-12-21(26-20(16)13-10-17(2)30-26)18(3)28(34)31-19-11-14-23(29)22(15-19)27-32-24-7-5-6-8-25(24)33(27)4/h5-8,10-11,13-16,18,21H,9,12H2,1-4H3,(H,31,34)/t16-,18-,21+/m1/s1 JMXYJARAWTZWPL-BLIXFSHQSA-N 50200480 CHEMBL3965352 Smoothened homolog Mus musculus 137 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200480&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 132991430 375978933 CHEMBL3965352 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526295 C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C InChI=1S/C28H29ClN4O/c1-16-9-12-21(26-20(16)13-10-17(2)30-26)18(3)28(34)31-19-11-14-23(29)22(15-19)27-32-24-7-5-6-8-25(24)33(27)4/h5-8,10-11,13-16,18,21H,9,12H2,1-4H3,(H,31,34)/t16-,18-,21+/m1/s1 JMXYJARAWTZWPL-BLIXFSHQSA-N 50200480 CHEMBL3965352 Smoothened homolog Mus musculus 9.5 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200480&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 132991430 375978933 CHEMBL3965352 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50526296 C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 InChI=1S/C25H26ClN3O/c1-15-7-10-20(24-19(15)11-8-16(2)28-24)17(3)25(30)29-18-9-12-22(26)21(14-18)23-6-4-5-13-27-23/h4-6,8-9,11-15,17,20H,7,10H2,1-3H3,(H,29,30)/t15-,17-,20+/m1/s1 PLRSSFZFXGFEFV-MDYRTPRTSA-N 50200478 CHEMBL3967752 Smoothened homolog Mus musculus 212 ChEMBL 10.1021/acs.jmedchem.6b01247 10.7270/Q2TQ63G3 27736063 Liu, G; Xue, D; Yang, J; Wang, J; Liu, X; Huang, W; Li, J; Long, YQ; Tan, W; Zhang, A University of Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200478&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134151006 375978931 CHEMBL3967752 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50660461 FC(F)(F)c1oc(nc1-c1ccccc1)-c1ccc(NC(=O)c2ccccc2Cl)cc1 InChI=1S/C23H14ClF3N2O2/c24-18-9-5-4-8-17(18)21(30)28-16-12-10-15(11-13-16)22-29-19(14-6-2-1-3-7-14)20(31-22)23(25,26)27/h1-13H,(H,28,30) NGZBROVMEZFFKM-UHFFFAOYSA-N 50352943 CHEMBL1824909 Smoothened homolog Mus musculus 17 ChEMBL 10.1016/j.bmcl.2011.07.052 10.7270/Q2N58MRK 21840217 Brown, ML; Aaron, W; Austin, RJ; Chong, A; Huang, T; Jiang, B; Kaizerman, JA; Lee, G; Lucas, BS; McMinn, DL; Orf, J; Rong, M; Toteva, MM; Xu, G; Ye, Q; Zhong, W; Degraffenreid, MR; Wickramasinghe, D; Powers, JP; Hungate, R; Johnson, MG Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352943&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44517800 136359629 CHEMBL1824909 ZINC72183153 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50660462 Clc1ccccc1C(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccccc1 InChI=1S/C24H17ClN2O/c25-22-9-5-4-8-21(22)24(28)27-20-12-10-18(11-13-20)23-16-19(14-15-26-23)17-6-2-1-3-7-17/h1-16H,(H,27,28) RMSFNUADGQRBNN-UHFFFAOYSA-N 50352935 CHEMBL1824916 Smoothened homolog Mus musculus 26 ChEMBL 10.1016/j.bmcl.2011.07.052 10.7270/Q2N58MRK 21840217 Brown, ML; Aaron, W; Austin, RJ; Chong, A; Huang, T; Jiang, B; Kaizerman, JA; Lee, G; Lucas, BS; McMinn, DL; Orf, J; Rong, M; Toteva, MM; Xu, G; Ye, Q; Zhong, W; Degraffenreid, MR; Wickramasinghe, D; Powers, JP; Hungate, R; Johnson, MG Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352935&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 53484000 136359621 CHEMBL1824916 ZINC72183049 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881621 Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2cccs2)c1-c1ccc(cc1)C(F)(F)F InChI=1S/C29H25F3N2OS/c1-18-4-2-6-26(27(18)19-7-10-22(11-8-19)29(30,31)32)28(35)34-23-12-9-20-14-24(16-21(20)15-23)33-17-25-5-3-13-36-25/h2-13,15,24,33H,14,16-17H2,1H3,(H,34,35)/t24-/m0/s1 JPOBQBQZOFXPBG-DEOSSOPVSA-N 50277297 (S)-6-methyl-N-(2-(thiophen-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide::CHEMBL474503 Smoothened homolog Mus musculus 9 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277297&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25211577 104120006 CHEMBL474503 ZINC40914545 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881623 Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2ccco2)c1-c1ccc(cc1)C(F)(F)F InChI=1S/C29H25F3N2O2/c1-18-4-2-6-26(27(18)19-7-10-22(11-8-19)29(30,31)32)28(35)34-23-12-9-20-14-24(16-21(20)15-23)33-17-25-5-3-13-36-25/h2-13,15,24,33H,14,16-17H2,1H3,(H,34,35)/t24-/m0/s1 HYQMTHNENKITBQ-DEOSSOPVSA-N 50277298 (S)-N-(2-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-6-methyl-4'-(trifluoromethyl)biphenyl-2-carboxamide::CHEMBL514764 Smoothened homolog Mus musculus 14 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277298&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24797802 104120007 CHEMBL514764 ZINC40913758 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881625 Cc1csc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(cc4)C(F)(F)F)cc3C2)n1 InChI=1S/C29H26F3N3OS/c1-17-4-3-5-25(27(17)19-6-9-22(10-7-19)29(30,31)32)28(36)35-23-11-8-20-12-24(14-21(20)13-23)33-15-26-34-18(2)16-37-26/h3-11,13,16,24,33H,12,14-15H2,1-2H3,(H,35,36)/t24-/m0/s1 LXROHYSWUUGKNY-DEOSSOPVSA-N 50277330 (S)-6-methyl-N-(2-((4-methylthiazol-2-yl)methylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide::CHEMBL474507 Smoothened homolog Mus musculus 4 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277330&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25211578 104120019 CHEMBL474507 ZINC33359324 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881627 Cc1ncsc1CN[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 InChI=1S/C29H26F3N3OS/c1-17-4-3-5-25(27(17)19-6-9-22(10-7-19)29(30,31)32)28(36)35-23-11-8-20-12-24(14-21(20)13-23)33-15-26-18(2)34-16-37-26/h3-11,13,16,24,33H,12,14-15H2,1-2H3,(H,35,36)/t24-/m0/s1 CVZLQNNEWOTLBK-DEOSSOPVSA-N 50277331 (S)-6-methyl-N-(2-((4-methylthiazol-5-yl)methylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide::CHEMBL474508 Smoothened homolog Mus musculus 120 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277331&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24797888 104120020 CHEMBL474508 ZINC40915170 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881629 Cc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(cc4)C(F)(F)F)cc3C2)o1 InChI=1S/C30H27F3N2O2/c1-18-4-3-5-27(28(18)20-7-10-23(11-8-20)30(31,32)33)29(36)35-24-12-9-21-14-25(16-22(21)15-24)34-17-26-13-6-19(2)37-26/h3-13,15,25,34H,14,16-17H2,1-2H3,(H,35,36)/t25-/m0/s1 SRVDVWZPQCJMEN-VWLOTQADSA-N 50277332 (S)-6-methyl-N-(2-((5-methylfuran-2-yl)methylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide::CHEMBL471672 Smoothened homolog Mus musculus 6 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277332&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24797889 104120021 CHEMBL471672 ZINC40893439 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881631 Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCC2CCOC2)c1-c1ccc(cc1)C(F)(F)F InChI=1S/C29H29F3N2O2/c1-18-3-2-4-26(27(18)20-5-8-23(9-6-20)29(30,31)32)28(35)34-24-10-7-21-13-25(15-22(21)14-24)33-16-19-11-12-36-17-19/h2-10,14,19,25,33H,11-13,15-17H2,1H3,(H,34,35)/t19?,25-/m0/s1 KKMZOCANRLBARO-BIAFCPFJSA-N 50277333 6-methyl-N-((2S)-2-((tetrahydrofuran-3-yl)methylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide::CHEMBL471673 Smoothened homolog Mus musculus 16700 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277333&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44591366 104120022 CHEMBL471673 ZINC40394269 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881632 C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1 QASFUMOKHFSJGL-LAFRSMQTSA-N 50232973 CHEMBL254129::CYCLOPAMINE Smoothened homolog Mus musculus 1200 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232973&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search CY8 6D32,5KZY,4O9R 442972 104055600 CHEMBL254129 C10798 ZINC04098868 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881634 CC(=O)Nc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(cc4)C(F)(F)F)cc3C2)cc1 InChI=1S/C33H30F3N3O2/c1-20-4-3-5-30(31(20)23-8-11-26(12-9-23)33(34,35)36)32(41)39-28-15-10-24-16-29(18-25(24)17-28)37-19-22-6-13-27(14-7-22)38-21(2)40/h3-15,17,29,37H,16,18-19H2,1-2H3,(H,38,40)(H,39,41)/t29-/m0/s1 LYODMXQUDKHZIG-LJAQVGFWSA-N 50277261 (S)-N-(2-(4-acetamidobenzylamino)-2,3-dihydro-1H-inden-5-yl)-6-methyl-4'-(trifluoromethyl)biphenyl-2-carboxamide::CHEMBL500172 Smoothened homolog Mus musculus 360 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277261&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44591326 104119990 CHEMBL500172 ZINC42804758 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881635 CC(N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1)c1ccccc1 InChI=1S/C32H29F3N2O/c1-20-7-6-10-29(30(20)23-11-14-26(15-12-23)32(33,34)35)31(38)37-27-16-13-24-17-28(19-25(24)18-27)36-21(2)22-8-4-3-5-9-22/h3-16,18,21,28,36H,17,19H2,1-2H3,(H,37,38)/t21?,28-/m0/s1 JWYGHODMDMKPPK-QVWGJOIVSA-N 50277293 6-methyl-N-((2S)-2-(1-phenylethylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide::CHEMBL474301 Smoothened homolog Mus musculus 29 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277293&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44591344 104120002 CHEMBL474301 ZINC40407542 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881639 Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NC(c2ccccc2)C(F)(F)F)c1-c1ccc(cc1)C(F)(F)F InChI=1S/C32H26F6N2O/c1-19-6-5-9-27(28(19)20-10-13-24(14-11-20)31(33,34)35)30(41)40-25-15-12-22-16-26(18-23(22)17-25)39-29(32(36,37)38)21-7-3-2-4-8-21/h2-15,17,26,29,39H,16,18H2,1H3,(H,40,41)/t26-,29?/m0/s1 UXLKIQSUIGDTJN-QUWDGAPNSA-N 50277294 6-methyl-N-((2S)-2-(2,2,2-trifluoro-1-phenylethylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide::CHEMBL451194 Smoothened homolog Mus musculus 57 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277294&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44591345 104120003 CHEMBL451194 ZINC44351975 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881641 Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2cnc3ccccc3c2)c1-c1ccc(cc1)C(F)(F)F InChI=1S/C34H28F3N3O/c1-21-5-4-7-30(32(21)23-9-12-27(13-10-23)34(35,36)37)33(41)40-28-14-11-24-16-29(18-26(24)17-28)38-19-22-15-25-6-2-3-8-31(25)39-20-22/h2-15,17,20,29,38H,16,18-19H2,1H3,(H,40,41)/t29-/m0/s1 YFDHKSKGWQOQGC-LJAQVGFWSA-N 50277295 (S)-6-methyl-N-(2-(quinolin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide::CHEMBL454984 Smoothened homolog Mus musculus 350 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277295&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44591346 104120004 CHEMBL454984 ZINC44358342 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881643 Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)Nc2ccccc2)c1-c1ccc(cc1)C(F)(F)F InChI=1S/C30H25F3N2O/c1-19-6-5-9-27(28(19)20-10-13-23(14-11-20)30(31,32)33)29(36)35-25-15-12-21-16-26(18-22(21)17-25)34-24-7-3-2-4-8-24/h2-15,17,26,34H,16,18H2,1H3,(H,35,36)/t26-/m0/s1 BJLHXLVEGNRDCK-SANMLTNESA-N 50277296 (S)-6-methyl-N-(2-(phenylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide::CHEMBL474302 Smoothened homolog Mus musculus 82 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277296&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44591347 104120005 CHEMBL474302 ZINC40915499 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881645 COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m1/s1 JKHYOWBRQRJSTQ-OAQYLSRUSA-N 50107789 (R)-methyl 5-(6-methyl-4'-(trifluoromethyl)biphenyl-2-ylcarboxamido)-2,3-dihydro-1H-inden-2-ylcarbamate::CHEMBL423915::{5-[(6-Methyl-4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-indan-2-yl}-carbamic acid methyl ester Smoothened homolog Mus musculus 2480 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50107789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50107789&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 9869236 104003054 CHEMBL423915 ZINC03972836 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881648 COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m0/s1 JKHYOWBRQRJSTQ-NRFANRHFSA-N 50107813 (S)-methyl 5-(6-methyl-4'-(trifluoromethyl)biphenyl-2-ylcarboxamido)-2,3-dihydro-1H-inden-2-ylcarbamate::CHEMBL142450::{5-[(6-Methyl-4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-indan-2-yl}-carbamic acid methyl ester Smoothened homolog Mus musculus 5090 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50107813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50107813&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 11762419 104003078 CHEMBL142450 ZINC02009098 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881651 COC(=O)NC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33) JKHYOWBRQRJSTQ-UHFFFAOYSA-N 50277132 CHEMBL473703::rac-methyl 5-(6-methyl-4'-(trifluoromethyl)biphenyl-2-ylcarboxamido)-2,3-dihydro-1H-inden-2-ylcarbamate Smoothened homolog Mus musculus 2960 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277132&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25210551 104119927 CHEMBL473703 ZINC03972836 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881652 Cc1cccc(C(=O)Nc2ccc3CC(Cc3c2)NCc2ccccn2)c1-c1ccc(cc1)C(F)(F)F InChI=1S/C30H26F3N3O/c1-19-5-4-7-27(28(19)20-8-11-23(12-9-20)30(31,32)33)29(37)36-24-13-10-21-15-26(17-22(21)16-24)35-18-25-6-2-3-14-34-25/h2-14,16,26,35H,15,17-18H2,1H3,(H,36,37) VFQLHOJNCNGPIK-UHFFFAOYSA-N 50277151 CHEMBL474281::rac-6-methyl-N-(2-(pyridin-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide Smoothened homolog Mus musculus 110 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277151&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 9892231 104119937 CHEMBL474281 ZINC27524476 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881654 Cc1cccc(C(=O)Nc2ccc3C[C@H](Cc3c2)NCc2ccccn2)c1-c1ccc(cc1)C(F)(F)F InChI=1S/C30H26F3N3O/c1-19-5-4-7-27(28(19)20-8-11-23(12-9-20)30(31,32)33)29(37)36-24-13-10-21-15-26(17-22(21)16-24)35-18-25-6-2-3-14-34-25/h2-14,16,26,35H,15,17-18H2,1H3,(H,36,37)/t26-/m1/s1 VFQLHOJNCNGPIK-AREMUKBSSA-N 50107786 (R)-6-methyl-N-(2-(pyridin-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide::6-Methyl-4'-trifluoromethyl-biphenyl-2-carboxylic acid {2-[(pyridin-2-ylmethyl)-amino]-indan-5-yl}-amide::CHEMBL356310 Smoothened homolog Mus musculus 8770 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50107786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50107786&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 9827343 104003051 CHEMBL356310 ZINC27524476 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881655 Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2ccccn2)c1-c1ccc(cc1)C(F)(F)F InChI=1S/C30H26F3N3O/c1-19-5-4-7-27(28(19)20-8-11-23(12-9-20)30(31,32)33)29(37)36-24-13-10-21-15-26(17-22(21)16-24)35-18-25-6-2-3-14-34-25/h2-14,16,26,35H,15,17-18H2,1H3,(H,36,37)/t26-/m0/s1 VFQLHOJNCNGPIK-SANMLTNESA-N 50107787 (S)-6-methyl-N-(2-(pyridin-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide::6-Methyl-4'-trifluoromethyl-biphenyl-2-carboxylic acid {2-[(pyridin-2-ylmethyl)-amino]-indan-5-yl}-amide::CHEMBL142972 Smoothened homolog Mus musculus 57 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50107787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50107787&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 10951208 104003052 CHEMBL142972 ZINC13471218 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881660 Cc1cccc(C(=O)Nc2ccc3C[C@H](Cc3c2)NCc2nccs2)c1-c1ccc(cc1)C(F)(F)F InChI=1S/C28H24F3N3OS/c1-17-3-2-4-24(26(17)18-5-8-21(9-6-18)28(29,30)31)27(35)34-22-10-7-19-13-23(15-20(19)14-22)33-16-25-32-11-12-36-25/h2-12,14,23,33H,13,15-16H2,1H3,(H,34,35)/t23-/m1/s1 BDOBNHGYFGVFDD-HSZRJFAPSA-N 50277189 (R)-6-methyl-N-(2-(thiazol-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide::CHEMBL474892 Smoothened homolog Mus musculus 1190 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277189&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25211677 104119951 CHEMBL474892 ZINC40403390 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881661 Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2nccs2)c1-c1ccc(cc1)C(F)(F)F InChI=1S/C28H24F3N3OS/c1-17-3-2-4-24(26(17)18-5-8-21(9-6-18)28(29,30)31)27(35)34-22-10-7-19-13-23(15-20(19)14-22)33-16-25-32-11-12-36-25/h2-12,14,23,33H,13,15-16H2,1H3,(H,34,35)/t23-/m0/s1 BDOBNHGYFGVFDD-QHCPKHFHSA-N 50277190 (S)-6-methyl-N-(2-(thiazol-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide::CHEMBL474893 Smoothened homolog Mus musculus 10 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277190&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44591268 104119952 CHEMBL474893 ZINC40898658 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881664 Cc1ccc(-c2ccc(cc2)C(F)(F)F)c(c1)C(=O)Nc1ccc2CC(Cc2c1)NCc1ccccn1 InChI=1S/C30H26F3N3O/c1-19-5-12-27(20-6-9-23(10-7-20)30(31,32)33)28(14-19)29(37)36-24-11-8-21-15-26(17-22(21)16-24)35-18-25-4-2-3-13-34-25/h2-14,16,26,35H,15,17-18H2,1H3,(H,36,37) PAMZGVTZBVUZBF-UHFFFAOYSA-N 50277191 CHEMBL474894::rac-4-methyl-N-(2-(pyridin-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide Smoothened homolog Mus musculus 8680 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277191&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44591269 104119953 CHEMBL474894 ZINC40898667 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881665 COc1ccc(-c2ccc(cc2)C(F)(F)F)c(c1)C(=O)Nc1ccc2CC(Cc2c1)NCc1ccccn1 InChI=1S/C30H26F3N3O2/c1-38-26-11-12-27(19-5-8-22(9-6-19)30(31,32)33)28(17-26)29(37)36-23-10-7-20-14-25(16-21(20)15-23)35-18-24-4-2-3-13-34-24/h2-13,15,17,25,35H,14,16,18H2,1H3,(H,36,37) FZGJOQIUVBVNBJ-UHFFFAOYSA-N 50277220 CHEMBL516370::rac-4-methoxy-N-(2-(pyridin-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide Smoothened homolog Mus musculus >5000 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277220&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44591289 104119969 CHEMBL516370 ZINC40898073 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881666 FC(F)(F)c1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2CC(Cc2c1)NCc1ccccn1 InChI=1S/C29H24F3N3O/c30-29(31,32)22-11-8-19(9-12-22)26-6-1-2-7-27(26)28(36)35-23-13-10-20-15-25(17-21(20)16-23)34-18-24-5-3-4-14-33-24/h1-14,16,25,34H,15,17-18H2,(H,35,36) FQVISFRAFHXJCA-UHFFFAOYSA-N 50277221 CHEMBL473892::rac-N-(2-(pyridin-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide Smoothened homolog Mus musculus 490 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277221&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44591290 104119970 CHEMBL473892 ZINC40898544 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881668 Clc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2CC(Cc2c1)NCc1ccccn1 InChI=1S/C28H24ClN3O/c29-22-11-8-19(9-12-22)26-6-1-2-7-27(26)28(33)32-23-13-10-20-15-25(17-21(20)16-23)31-18-24-5-3-4-14-30-24/h1-14,16,25,31H,15,17-18H2,(H,32,33) BWKLXPHCBYUBIF-UHFFFAOYSA-N 50277222 CHEMBL473073::rac-4'-chloro-N-(2-(pyridin-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)biphenyl-2-carboxamide Smoothened homolog Mus musculus 2710 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277222&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44591291 104119971 CHEMBL473073 ZINC40898424 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881670 O=C(Nc1ccc2CC(Cc2c1)NCc1ccccn1)c1ccccc1-c1ccccc1 InChI=1S/C28H25N3O/c32-28(27-12-5-4-11-26(27)20-8-2-1-3-9-20)31-23-14-13-21-16-25(18-22(21)17-23)30-19-24-10-6-7-15-29-24/h1-15,17,25,30H,16,18-19H2,(H,31,32) VHIQFTOKJVJIJC-UHFFFAOYSA-N 50277223 CHEMBL515245::rac-N-(2-(pyridin-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)biphenyl-2-carboxamide Smoothened homolog Mus musculus 1420 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277223&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44591292 104119972 CHEMBL515245 ZINC40403380 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881671 Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2ccccc2)c1-c1ccc(cc1)C(F)(F)F InChI=1S/C31H27F3N2O/c1-20-6-5-9-28(29(20)22-10-13-25(14-11-22)31(32,33)34)30(37)36-26-15-12-23-16-27(18-24(23)17-26)35-19-21-7-3-2-4-8-21/h2-15,17,27,35H,16,18-19H2,1H3,(H,36,37)/t27-/m0/s1 CBSYYIOBMXSLKK-MHZLTWQESA-N 50277258 (S)-N-(2-(benzylamino)-2,3-dihydro-1H-inden-5-yl)-6-methyl-4'-(trifluoromethyl)biphenyl-2-carboxamide::CHEMBL473896 Smoothened homolog Mus musculus 8 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277258&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44591325 104119987 CHEMBL473896 ZINC40406561 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881673 Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2ccncc2)c1-c1ccc(cc1)C(F)(F)F InChI=1S/C30H26F3N3O/c1-19-3-2-4-27(28(19)21-5-8-24(9-6-21)30(31,32)33)29(37)36-25-10-7-22-15-26(17-23(22)16-25)35-18-20-11-13-34-14-12-20/h2-14,16,26,35H,15,17-18H2,1H3,(H,36,37)/t26-/m0/s1 CMBJQLGVMBRAFD-SANMLTNESA-N 50277259 (S)-6-methyl-N-(2-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide::CHEMBL473897 Smoothened homolog Mus musculus 190 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277259&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24797980 104119988 CHEMBL473897 ZINC40899051 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50881675 COc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(cc4)C(F)(F)F)cc3C2)cc1 InChI=1S/C32H29F3N2O2/c1-20-4-3-5-29(30(20)22-8-11-25(12-9-22)32(33,34)35)31(38)37-26-13-10-23-16-27(18-24(23)17-26)36-19-21-6-14-28(39-2)15-7-21/h3-15,17,27,36H,16,18-19H2,1-2H3,(H,37,38)/t27-/m0/s1 YZGYHMBCXQCNDC-MHZLTWQESA-N 50277260 (S)-N-(2-(4-methoxybenzylamino)-2,3-dihydro-1H-inden-5-yl)-6-methyl-4'-(trifluoromethyl)biphenyl-2-carboxamide::CHEMBL471881 Smoothened homolog Mus musculus 93 ChEMBL 10.1016/j.bmcl.2008.11.096 10.7270/Q29887ZN 19091559 Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277260&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24798071 104119989 CHEMBL471881 ZINC44417300 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50940343 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24) BPQMGSKTAYIVFO-UHFFFAOYSA-N 50249522 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide::CHEMBL473417::VISMODEGIB Smoothened homolog Mus musculus 5 ChEMBL 10.1021/ml2002423 10.7270/Q2W096Z4 24900436 Munchhof, MJ; Li, Q; Shavnya, A; Borzillo, GV; Boyden, TL; Jones, CS; LaGreca, SD; Martinez-Alsina, L; Patel, N; Pelletier, K; Reiter, LA; Robbins, MD; Tkalcevic, GT TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249522&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search VIS 8HJE,5L7I 24776445 104103799 66903 CHEMBL473417 DB08828 6975 ZINC40899447 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50940344 CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccccc1 InChI=1S/C20H23N5O/c1-25-12-11-15(22-20(26)21-14-7-3-2-4-8-14)13-18(25)19-23-16-9-5-6-10-17(16)24-19/h2-10,15,18H,11-13H2,1H3,(H,23,24)(H2,21,22,26)/t15-,18-/m1/s1 ZEZBTZJDUZIGPQ-CRAIPNDOSA-N 50385636 CHEMBL2043429 Smoothened homolog Mus musculus 103 ChEMBL 10.1021/ml2002423 10.7270/Q2W096Z4 24900436 Munchhof, MJ; Li, Q; Shavnya, A; Borzillo, GV; Boyden, TL; Jones, CS; LaGreca, SD; Martinez-Alsina, L; Patel, N; Pelletier, K; Reiter, LA; Robbins, MD; Tkalcevic, GT TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385636&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 57539117 160864719 CHEMBL2043429 ZINC84709025 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50940345 O=C(Nc1cccc(c1)-c1nc2ccccc2[nH]1)c1ccc2OCCOc2c1 InChI=1S/C22H17N3O3/c26-22(15-8-9-19-20(13-15)28-11-10-27-19)23-16-5-3-4-14(12-16)21-24-17-6-1-2-7-18(17)25-21/h1-9,12-13H,10-11H2,(H,23,26)(H,24,25) GFIVAICXNHIFGK-UHFFFAOYSA-N 50385637 CHEMBL2043430 Smoothened homolog Mus musculus 5 ChEMBL 10.1021/ml2002423 10.7270/Q2W096Z4 24900436 Munchhof, MJ; Li, Q; Shavnya, A; Borzillo, GV; Boyden, TL; Jones, CS; LaGreca, SD; Martinez-Alsina, L; Patel, N; Pelletier, K; Reiter, LA; Robbins, MD; Tkalcevic, GT TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385637&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 2880709 160864720 CHEMBL2043430 ZINC05062047 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50940346 CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)c1ccc2OCCOc2c1 InChI=1S/C22H24N4O3/c1-26-9-8-15(13-18(26)21-24-16-4-2-3-5-17(16)25-21)23-22(27)14-6-7-19-20(12-14)29-11-10-28-19/h2-7,12,15,18H,8-11,13H2,1H3,(H,23,27)(H,24,25)/t15-,18-/m1/s1 WJZXLGBXZRBBHC-CRAIPNDOSA-N 50385638 CHEMBL2043432 Smoothened homolog Mus musculus 43 ChEMBL 10.1021/ml2002423 10.7270/Q2W096Z4 24900436 Munchhof, MJ; Li, Q; Shavnya, A; Borzillo, GV; Boyden, TL; Jones, CS; LaGreca, SD; Martinez-Alsina, L; Patel, N; Pelletier, K; Reiter, LA; Robbins, MD; Tkalcevic, GT TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385638&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 57538993 160864721 CHEMBL2043432 ZINC84704310 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50940347 O=C(N[C@@H]1CCC[C@@H](C1)c1nc2ccccc2[nH]1)c1ccc2OCCOc2c1 InChI=1S/C22H23N3O3/c26-22(15-8-9-19-20(13-15)28-11-10-27-19)23-16-5-3-4-14(12-16)21-24-17-6-1-2-7-18(17)25-21/h1-2,6-9,13-14,16H,3-5,10-12H2,(H,23,26)(H,24,25)/t14-,16+/m0/s1 BLFYHCYJCRNVIH-GOEBONIOSA-N 50385639 CHEMBL2043431 Smoothened homolog Mus musculus 88 ChEMBL 10.1021/ml2002423 10.7270/Q2W096Z4 24900436 Munchhof, MJ; Li, Q; Shavnya, A; Borzillo, GV; Boyden, TL; Jones, CS; LaGreca, SD; Martinez-Alsina, L; Patel, N; Pelletier, K; Reiter, LA; Robbins, MD; Tkalcevic, GT TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385639&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 59174944 160864722 CHEMBL2043431 ZINC84709026 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50940348 CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc2OCCOc2c1 InChI=1S/C22H25N5O3/c1-27-9-8-15(12-18(27)21-25-16-4-2-3-5-17(16)26-21)24-22(28)23-14-6-7-19-20(13-14)30-11-10-29-19/h2-7,13,15,18H,8-12H2,1H3,(H,25,26)(H2,23,24,28)/t15-,18-/m1/s1 LYAJEDCSRBEEKH-CRAIPNDOSA-N 50385640 CHEMBL2043433 Smoothened homolog Mus musculus 45 ChEMBL 10.1021/ml2002423 10.7270/Q2W096Z4 24900436 Munchhof, MJ; Li, Q; Shavnya, A; Borzillo, GV; Boyden, TL; Jones, CS; LaGreca, SD; Martinez-Alsina, L; Patel, N; Pelletier, K; Reiter, LA; Robbins, MD; Tkalcevic, GT TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385640&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 67266280 160864723 CHEMBL2043433 ZINC84704314 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50940349 COc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H](C2)c2nc3ccccc3[nH]2)cc1 InChI=1S/C21H25N5O2/c1-26-12-11-15(23-21(27)22-14-7-9-16(28-2)10-8-14)13-19(26)20-24-17-5-3-4-6-18(17)25-20/h3-10,15,19H,11-13H2,1-2H3,(H,24,25)(H2,22,23,27)/t15-,19-/m1/s1 WAMGMBQXLMDUCU-DNVCBOLYSA-N 50385641 CHEMBL2043434 Smoothened homolog Mus musculus 35 ChEMBL 10.1021/ml2002423 10.7270/Q2W096Z4 24900436 Munchhof, MJ; Li, Q; Shavnya, A; Borzillo, GV; Boyden, TL; Jones, CS; LaGreca, SD; Martinez-Alsina, L; Patel, N; Pelletier, K; Reiter, LA; Robbins, MD; Tkalcevic, GT TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385641&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25167116 160864724 CHEMBL2043434 ZINC84704317 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50940350 CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(cc1)C(F)(F)F InChI=1S/C21H22F3N5O/c1-29-11-10-15(12-18(29)19-27-16-4-2-3-5-17(16)28-19)26-20(30)25-14-8-6-13(7-9-14)21(22,23)24/h2-9,15,18H,10-12H2,1H3,(H,27,28)(H2,25,26,30)/t15-,18-/m1/s1 RXTFXQUMCIINQD-CRAIPNDOSA-N 50385642 CHEMBL2043435 Smoothened homolog Mus musculus 5 ChEMBL 10.1021/ml2002423 10.7270/Q2W096Z4 24900436 Munchhof, MJ; Li, Q; Shavnya, A; Borzillo, GV; Boyden, TL; Jones, CS; LaGreca, SD; Martinez-Alsina, L; Patel, N; Pelletier, K; Reiter, LA; Robbins, MD; Tkalcevic, GT TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385642&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 57539031 160864725 CHEMBL2043435 ZINC84705569 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50940351 CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(Cl)cc1 InChI=1S/C20H22ClN5O/c1-26-11-10-15(23-20(27)22-14-8-6-13(21)7-9-14)12-18(26)19-24-16-4-2-3-5-17(16)25-19/h2-9,15,18H,10-12H2,1H3,(H,24,25)(H2,22,23,27)/t15-,18-/m1/s1 XAJBFYACHVQOEW-CRAIPNDOSA-N 50385643 CHEMBL2043436 Smoothened homolog Mus musculus 20 ChEMBL 10.1021/ml2002423 10.7270/Q2W096Z4 24900436 Munchhof, MJ; Li, Q; Shavnya, A; Borzillo, GV; Boyden, TL; Jones, CS; LaGreca, SD; Martinez-Alsina, L; Patel, N; Pelletier, K; Reiter, LA; Robbins, MD; Tkalcevic, GT TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385643&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25167313 160864726 CHEMBL2043436 ZINC84705574 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50940352 CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(cc1)C#N InChI=1S/C21H22N6O/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1 SFNSLLSYNZWZQG-VQIMIIECSA-N 50385635 CHEMBL2043437 Smoothened homolog Mus musculus 5 ChEMBL 10.1021/ml2002423 10.7270/Q2W096Z4 24900436 Munchhof, MJ; Li, Q; Shavnya, A; Borzillo, GV; Boyden, TL; Jones, CS; LaGreca, SD; Martinez-Alsina, L; Patel, N; Pelletier, K; Reiter, LA; Robbins, MD; Tkalcevic, GT TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385635&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25166913 160864718 CHEMBL2043437 ZINC68251434 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50940353 CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1cccc(c1)C#N InChI=1S/C21H22N6O/c1-27-10-9-16(24-21(28)23-15-6-4-5-14(11-15)13-22)12-19(27)20-25-17-7-2-3-8-18(17)26-20/h2-8,11,16,19H,9-10,12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1 KQGCUNKVTNXVJV-VQIMIIECSA-N 50385644 CHEMBL2043438 Smoothened homolog Mus musculus 72 ChEMBL 10.1021/ml2002423 10.7270/Q2W096Z4 24900436 Munchhof, MJ; Li, Q; Shavnya, A; Borzillo, GV; Boyden, TL; Jones, CS; LaGreca, SD; Martinez-Alsina, L; Patel, N; Pelletier, K; Reiter, LA; Robbins, MD; Tkalcevic, GT TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385644&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 57539103 160864727 CHEMBL2043438 ZINC84705579 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50940354 CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1cccnc1 InChI=1S/C19H22N6O/c1-25-10-8-13(21-19(26)22-14-5-4-9-20-12-14)11-17(25)18-23-15-6-2-3-7-16(15)24-18/h2-7,9,12-13,17H,8,10-11H2,1H3,(H,23,24)(H2,21,22,26)/t13-,17-/m1/s1 QTYYJMBZPFCFLM-CXAGYDPISA-N 50385645 CHEMBL2043439 Smoothened homolog Mus musculus 191 ChEMBL 10.1021/ml2002423 10.7270/Q2W096Z4 24900436 Munchhof, MJ; Li, Q; Shavnya, A; Borzillo, GV; Boyden, TL; Jones, CS; LaGreca, SD; Martinez-Alsina, L; Patel, N; Pelletier, K; Reiter, LA; Robbins, MD; Tkalcevic, GT TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385645&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 57539065 160864728 CHEMBL2043439 ZINC84705585 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961693 O=C(NC1CCN(Cc2ccc(nc2)N2CCC(CC2)NC(=O)c2cccc(c2)-c2cccnc2)CC1)c1cccc(c1)-c1cccnc1 InChI=1S/C40H41N7O2/c48-39(32-7-1-5-30(23-32)34-9-3-17-41-26-34)44-36-13-19-46(20-14-36)28-29-11-12-38(43-25-29)47-21-15-37(16-22-47)45-40(49)33-8-2-6-31(24-33)35-10-4-18-42-27-35/h1-12,17-18,23-27,36-37H,13-16,19-22,28H2,(H,44,48)(H,45,49) CHEGQSMAFNABCA-UHFFFAOYSA-N 50394561 CHEMBL2160208 Smoothened homolog Mus musculus 2.6 ChEMBL 10.1016/j.bmc.2012.09.030 10.7270/Q22N53CV 23063522 Wang, J; Mook, RA; Lu, J; Gooden, DM; Ribeiro, A; Guo, A; Barak, LS; Lyerly, HK; Chen, W Duke University Medical Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394561&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71458712 163343585 CHEMBL2160208 ZINC95576171 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961694 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24) BPQMGSKTAYIVFO-UHFFFAOYSA-N 50249522 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide::CHEMBL473417::VISMODEGIB Smoothened homolog Mus musculus 1.5 ChEMBL 10.1016/j.bmc.2012.09.030 10.7270/Q22N53CV 23063522 Wang, J; Mook, RA; Lu, J; Gooden, DM; Ribeiro, A; Guo, A; Barak, LS; Lyerly, HK; Chen, W Duke University Medical Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249522&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search VIS 8HJE,5L7I 24776445 104103799 66903 CHEMBL473417 DB08828 6975 ZINC40899447 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961695 C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1 QASFUMOKHFSJGL-LAFRSMQTSA-N 50232973 CHEMBL254129::CYCLOPAMINE Smoothened homolog Mus musculus 484 ChEMBL 10.1016/j.bmc.2012.09.030 10.7270/Q22N53CV 23063522 Wang, J; Mook, RA; Lu, J; Gooden, DM; Ribeiro, A; Guo, A; Barak, LS; Lyerly, HK; Chen, W Duke University Medical Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232973&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search CY8 6D32,5KZY,4O9R 442972 104055600 CHEMBL254129 C10798 ZINC04098868 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957356 Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)OCCNC2=O)cc1 InChI=1S/C19H23ClN2O4/c20-16-8-6-14(7-9-16)13-22-17(23)12-15-4-2-1-3-5-18(24)26-11-10-21-19(15)25/h1-2,6-9,15H,3-5,10-13H2,(H,21,25)(H,22,23)/b2-1+/t15-/m0/s1 PIGMXBSUAPIWMM-YLSAJCSVSA-N 50311527 (S,E)-N-(4-chlorobenzyl)-2-(5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl)acetamide::CHEMBL1080091 Smoothened homolog Mus musculus >25000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50311527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50311527&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44479802 104145888 CHEMBL1080091 ZINC49034063 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957357 C[C@@H]1NC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C\C=C\CCC(=O)O[C@@H]1c1ccccc1 InChI=1S/C26H29ClN2O4/c1-18-25(20-8-4-2-5-9-20)33-24(31)11-7-3-6-10-21(26(32)29-18)16-23(30)28-17-19-12-14-22(27)15-13-19/h2-6,8-9,12-15,18,21,25H,7,10-11,16-17H2,1H3,(H,28,30)(H,29,32)/b6-3+/t18-,21-,25-/m0/s1 VKORJMZWMJAINW-UBPWRAOESA-N 50392954 CHEMBL2152354 Smoothened homolog Mus musculus 15000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392954&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71460278 163341978 CHEMBL2152354 ZINC95580032 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957358 C[C@H]1NC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C\C=C\CCC(=O)O[C@@H]1c1ccccc1 InChI=1S/C26H29ClN2O4/c1-18-25(20-8-4-2-5-9-20)33-24(31)11-7-3-6-10-21(26(32)29-18)16-23(30)28-17-19-12-14-22(27)15-13-19/h2-6,8-9,12-15,18,21,25H,7,10-11,16-17H2,1H3,(H,28,30)(H,29,32)/b6-3+/t18-,21+,25+/m1/s1 VKORJMZWMJAINW-WPQRWQNRSA-N 50392955 CHEMBL2152355 Smoothened homolog Mus musculus 11000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392955&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71460279 163341979 CHEMBL2152355 ZINC95578252 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957359 Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)OC[C@@H]3CCCN3C2=O)cc1 InChI=1S/C22H27ClN2O4/c23-18-10-8-16(9-11-18)14-24-20(26)13-17-5-2-1-3-7-21(27)29-15-19-6-4-12-25(19)22(17)28/h1-2,8-11,17,19H,3-7,12-15H2,(H,24,26)/b2-1+/t17-,19-/m0/s1 RGHAJILHAYNMQS-TYKNPMJMSA-N 50392956 CHEMBL2152356 Smoothened homolog Mus musculus 15000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392956&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71460280 163341980 CHEMBL2152356 ZINC95575360 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957360 Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@@H](COC2=O)c2ccccc2)cc1 InChI=1S/C25H27ClN2O4/c26-21-13-11-18(12-14-21)16-27-24(30)15-20-9-5-2-6-10-23(29)28-22(17-32-25(20)31)19-7-3-1-4-8-19/h1-5,7-8,11-14,20,22H,6,9-10,15-17H2,(H,27,30)(H,28,29)/b5-2+/t20-,22-/m0/s1 KADPCUBFZUHNFS-BQIDRLATSA-N 50392957 CHEMBL2152357 Smoothened homolog Mus musculus 5000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392957&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 58348067 163341981 CHEMBL2152357 ZINC95579945 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957361 Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@H]3[C@H](Cc4ccccc34)OC2=O)cc1 InChI=1S/C26H27ClN2O4/c27-20-12-10-17(11-13-20)16-28-24(31)15-19-7-2-1-3-9-23(30)29-25-21-8-5-4-6-18(21)14-22(25)33-26(19)32/h1-2,4-6,8,10-13,19,22,25H,3,7,9,14-16H2,(H,28,31)(H,29,30)/b2-1+/t19-,22-,25+/m0/s1 GWFKHZRABSRIEY-SNQMWDEISA-N 50392958 CHEMBL2152358 Smoothened homolog Mus musculus >25000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392958&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 70680410 163341982 CHEMBL2152358 ZINC95572930 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957362 C[C@H]1[C@H](OC(=O)CC\C=C\C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C)c1ccccc1 InChI=1S/C27H31ClN2O4/c1-19-26(21-9-5-3-6-10-21)34-25(32)12-8-4-7-11-22(27(33)30(19)2)17-24(31)29-18-20-13-15-23(28)16-14-20/h3-7,9-10,13-16,19,22,26H,8,11-12,17-18H2,1-2H3,(H,29,31)/b7-4+/t19-,22-,26-/m0/s1 VHDCLXBXMSVMBZ-MWZGVQAKSA-N 50392959 CHEMBL2152359 Smoothened homolog Mus musculus 8000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392959&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 70680396 163341983 CHEMBL2152359 ZINC95573579 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957363 Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@H](COC2=O)c2ccccc2)cc1 InChI=1S/C25H27ClN2O4/c26-21-13-11-18(12-14-21)16-27-24(30)15-20-9-5-2-6-10-23(29)28-22(17-32-25(20)31)19-7-3-1-4-8-19/h1-5,7-8,11-14,20,22H,6,9-10,15-17H2,(H,27,30)(H,28,29)/b5-2+/t20-,22+/m0/s1 KADPCUBFZUHNFS-DIQFXESUSA-N 50392960 CHEMBL2152360 Smoothened homolog Mus musculus 20000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392960&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 44480300 163341984 CHEMBL2152360 ZINC95576096 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957364 C[C@H]1C\C=C\C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)OC[C@H](NC1=O)c1ccccc1 InChI=1S/C26H29ClN2O4/c1-18-7-5-6-10-21(15-24(30)28-16-19-11-13-22(27)14-12-19)26(32)33-17-23(29-25(18)31)20-8-3-2-4-9-20/h2-6,8-9,11-14,18,21,23H,7,10,15-17H2,1H3,(H,28,30)(H,29,31)/b6-5+/t18-,21-,23-/m0/s1 ZYUUFTRHRLWMTH-AGDMFGCGSA-N 50392961 CHEMBL2152361 Smoothened homolog Mus musculus 8000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392961&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71454800 163341985 CHEMBL2152361 ZINC95573585 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957365 Clc1ccc(CNC(=O)C[C@@H]2C\C=C\C[C@H](Cc3ccccc3)C(=O)N[C@@H](COC2=O)c2ccccc2)cc1 InChI=1S/C32H33ClN2O4/c33-28-17-15-24(16-18-28)21-34-30(36)20-27-14-8-7-13-26(19-23-9-3-1-4-10-23)31(37)35-29(22-39-32(27)38)25-11-5-2-6-12-25/h1-12,15-18,26-27,29H,13-14,19-22H2,(H,34,36)(H,35,37)/b8-7+/t26-,27+,29+/m1/s1 CGQFZMGRUMZRJD-BRSWAKDMSA-N 50392962 CHEMBL2152362 Smoothened homolog Mus musculus 6000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392962&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71461978 163341986 CHEMBL2152362 ZINC95574077 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957366 CC(C)N[C@H]1C\C=C\C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)NC[C@H](OC1=O)c1ccccc1 InChI=1S/C28H34ClN3O4/c1-19(2)32-24-11-7-6-10-22(16-26(33)30-17-20-12-14-23(29)15-13-20)27(34)31-18-25(36-28(24)35)21-8-4-3-5-9-21/h3-9,12-15,19,22,24-25,32H,10-11,16-18H2,1-2H3,(H,30,33)(H,31,34)/b7-6+/t22-,24-,25-/m0/s1 LDCUQDPDQRESSW-QYQZZREXSA-N 50392963 CHEMBL2152363 Smoothened homolog Mus musculus >25000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392963&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71460281 163341987 CHEMBL2152363 ZINC95577129 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957367 C[C@H]1C\C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)OC[C@H](NC1=O)c1ccccc1 InChI=1S/C26H29ClN2O4/c1-18-7-5-6-10-21(15-24(30)28-16-19-11-13-22(27)14-12-19)26(32)33-17-23(29-25(18)31)20-8-3-2-4-9-20/h2-6,8-9,11-14,18,21,23H,7,10,15-17H2,1H3,(H,28,30)(H,29,31)/b6-5-/t18-,21-,23-/m0/s1 ZYUUFTRHRLWMTH-PUWHGRQFSA-N 50392964 CHEMBL2152364 Smoothened homolog Mus musculus 4000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392964&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71451240 163341988 CHEMBL2152364 ZINC95576609 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957368 C[C@H]1[C@H](OC(=O)CCCCC[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C)c1ccccc1 InChI=1S/C27H33ClN2O4/c1-19-26(21-9-5-3-6-10-21)34-25(32)12-8-4-7-11-22(27(33)30(19)2)17-24(31)29-18-20-13-15-23(28)16-14-20/h3,5-6,9-10,13-16,19,22,26H,4,7-8,11-12,17-18H2,1-2H3,(H,29,31)/t19-,22-,26-/m0/s1 XSIBKRLMRYYKFZ-NHZRIVAWSA-N 50392965 CHEMBL2152365 Smoothened homolog Mus musculus 11000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392965&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71460282 163341989 CHEMBL2152365 ZINC95577222 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957369 Clc1ccc(CNC(=O)C[C@H](CC=C)C(=O)NC[C@H](OC(=O)CCC=C)c2ccccc2)cc1 InChI=1S/C27H31ClN2O4/c1-3-5-12-26(32)34-24(21-10-7-6-8-11-21)19-30-27(33)22(9-4-2)17-25(31)29-18-20-13-15-23(28)16-14-20/h3-4,6-8,10-11,13-16,22,24H,1-2,5,9,12,17-19H2,(H,29,31)(H,30,33)/t22-,24-/m0/s1 OUTNXCDSAXHHKZ-UPVQGACJSA-N 50392966 CHEMBL2152366 Smoothened homolog Mus musculus >25000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392966&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25109992 163341990 CHEMBL2152366 ZINC95576704 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957370 C[C@@H]1C\C=C\CCC(=O)N[C@@H](COC1=O)c1ccccc1 InChI=1S/C17H21NO3/c1-13-8-4-2-7-11-16(19)18-15(12-21-17(13)20)14-9-5-3-6-10-14/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,18,19)/b4-2+/t13-,15+/m1/s1 AFIXJTADPDHGEE-MWDOINLKSA-N 50392967 CHEMBL2152367 Smoothened homolog Mus musculus >25000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392967&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71454801 163341991 CHEMBL2152367 ZINC95574822 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957371 CC(=O)N[C@@H]1C\C=C\CCC(=O)N[C@@H](COC1=O)c1ccccc1 InChI=1S/C18H22N2O4/c1-13(21)19-15-10-6-3-7-11-17(22)20-16(12-24-18(15)23)14-8-4-2-5-9-14/h2-6,8-9,15-16H,7,10-12H2,1H3,(H,19,21)(H,20,22)/b6-3+/t15-,16+/m1/s1 AINZSMIJPNBGRE-DBLORFJXSA-N 50392968 CHEMBL2152368 Smoothened homolog Mus musculus >25000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392968&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 70680404 163341992 CHEMBL2152368 ZINC95574858 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957372 CN1CCN(CC1)C(=O)C[C@@H]1C\C=C\CCC(=O)O[C@@H](CNC1=O)c1ccccc1 InChI=1S/C23H31N3O4/c1-25-12-14-26(15-13-25)21(27)16-19-10-6-3-7-11-22(28)30-20(17-24-23(19)29)18-8-4-2-5-9-18/h2-6,8-9,19-20H,7,10-17H2,1H3,(H,24,29)/b6-3+/t19-,20-/m0/s1 HSBQIJGEOSTLSE-HELANRRESA-N 50392969 CHEMBL2152369 Smoothened homolog Mus musculus >25000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392969&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71460283 163341993 CHEMBL2152369 ZINC95578255 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957373 FC(F)(F)CCCNC(=O)C[C@@H]1C\C=C\CCC(=O)O[C@@H](CNC1=O)c1ccccc1 InChI=1S/C22H27F3N2O4/c23-22(24,25)12-7-13-26-19(28)14-17-10-5-2-6-11-20(29)31-18(15-27-21(17)30)16-8-3-1-4-9-16/h1-5,8-9,17-18H,6-7,10-15H2,(H,26,28)(H,27,30)/b5-2+/t17-,18-/m0/s1 GELMVQBWAPVGHJ-ZYQPHWHESA-N 50392970 CHEMBL2152370 Smoothened homolog Mus musculus 4000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392970&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71451241 163341994 CHEMBL2152370 ZINC95580037 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957374 CC(C)(C)OC(=O)C[C@@H]1C\C=C\CCC(=O)N[C@@H](COC1=O)c1ccccc1 InChI=1S/C22H29NO5/c1-22(2,3)28-20(25)14-17-12-8-5-9-13-19(24)23-18(15-27-21(17)26)16-10-6-4-7-11-16/h4-8,10-11,17-18H,9,12-15H2,1-3H3,(H,23,24)/b8-5+/t17-,18-/m0/s1 BJRLEQBLNKLHFN-ZGCXVMDJSA-N 50392971 CHEMBL2152371 Smoothened homolog Mus musculus 7000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392971&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 67311782 163341995 CHEMBL2152371 ZINC95575952 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957375 CN1C[C@H](OC(=O)CC\C=C\C[C@@H](Cc2ccc(Cl)cc2)C1=O)c1ccccc1 InChI=1S/C24H26ClNO3/c1-26-17-22(19-8-4-2-5-9-19)29-23(27)11-7-3-6-10-20(24(26)28)16-18-12-14-21(25)15-13-18/h2-6,8-9,12-15,20,22H,7,10-11,16-17H2,1H3/b6-3+/t20-,22-/m0/s1 FDSZEPJEHLNGEA-FZQIFAQWSA-N 50392972 CHEMBL2152372 Smoothened homolog Mus musculus 8000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392972&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71451242 163341996 CHEMBL2152372 ZINC95575434 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957376 Clc1cccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)O[C@@H](CNC2=O)c2ccccc2)c1 InChI=1S/C25H27ClN2O4/c26-21-12-7-8-18(14-21)16-27-23(29)15-20-11-5-2-6-13-24(30)32-22(17-28-25(20)31)19-9-3-1-4-10-19/h1-5,7-10,12,14,20,22H,6,11,13,15-17H2,(H,27,29)(H,28,31)/b5-2+/t20-,22-/m0/s1 UQVOPKWUIIYHLT-BQIDRLATSA-N 50392973 CHEMBL2152373 Smoothened homolog Mus musculus 5000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392973&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71453057 163341997 CHEMBL2152373 ZINC95580010 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957377 Clc1ccc(CNC(=O)CN2C\C=C\CCC(=O)N[C@@H](COC2=O)c2ccccc2)cc1 InChI=1S/C24H26ClN3O4/c25-20-12-10-18(11-13-20)15-26-23(30)16-28-14-6-2-5-9-22(29)27-21(17-32-24(28)31)19-7-3-1-4-8-19/h1-4,6-8,10-13,21H,5,9,14-17H2,(H,26,30)(H,27,29)/b6-2+/t21-/m0/s1 IADGNCNLTQZFBV-FNLFUECCSA-N 50392974 CHEMBL2152374 Smoothened homolog Mus musculus >25000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392974&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71454802 163341998 CHEMBL2152374 ZINC95573548 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957378 Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@@H](COC2=O)C2CCCCC2)cc1 InChI=1S/C25H33ClN2O4/c26-21-13-11-18(12-14-21)16-27-24(30)15-20-9-5-2-6-10-23(29)28-22(17-32-25(20)31)19-7-3-1-4-8-19/h2,5,11-14,19-20,22H,1,3-4,6-10,15-17H2,(H,27,30)(H,28,29)/b5-2+/t20-,22-/m0/s1 RTDDGSNRJAMSBI-BQIDRLATSA-N 50392975 CHEMBL2152375 Smoothened homolog Mus musculus 5000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392975&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71461979 163341999 CHEMBL2152375 ZINC95576695 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957379 Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@H](Cc3ccccc3)COC2=O)cc1 InChI=1S/C26H29ClN2O4/c27-22-13-11-20(12-14-22)17-28-25(31)16-21-9-5-2-6-10-24(30)29-23(18-33-26(21)32)15-19-7-3-1-4-8-19/h1-5,7-8,11-14,21,23H,6,9-10,15-18H2,(H,28,31)(H,29,30)/b5-2+/t21-,23+/m0/s1 UKWNCRJUNWWVSK-SZQTVFEFSA-N 50392976 CHEMBL2152376 Smoothened homolog Mus musculus 4000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392976&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71451243 163342000 CHEMBL2152376 ZINC95580463 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957380 CCCC[C@@H]1COC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C\C=C\CCC(=O)N1 InChI=1S/C23H31ClN2O4/c1-2-3-8-20-16-30-23(29)18(7-5-4-6-9-21(27)26-20)14-22(28)25-15-17-10-12-19(24)13-11-17/h4-5,10-13,18,20H,2-3,6-9,14-16H2,1H3,(H,25,28)(H,26,27)/b5-4+/t18-,20+/m0/s1 ZJNCEHKQJIBTBX-LJGXYGFNSA-N 50392977 CHEMBL2152377 Smoothened homolog Mus musculus >10000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392977&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71456578 163342001 CHEMBL2152377 ZINC95571898 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957381 CC(C)[C@@H]1COC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C\C=C\CCC(=O)N1 InChI=1S/C22H29ClN2O4/c1-15(2)19-14-29-22(28)17(6-4-3-5-7-20(26)25-19)12-21(27)24-13-16-8-10-18(23)11-9-16/h3-4,8-11,15,17,19H,5-7,12-14H2,1-2H3,(H,24,27)(H,25,26)/b4-3+/t17-,19-/m0/s1 YODBUVJRLLERQB-PABLAQFASA-N 50392978 CHEMBL2152378 Smoothened homolog Mus musculus 23000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392978&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71458430 163342002 CHEMBL2152378 ZINC95580012 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957382 Fc1ccc(cc1)[C@@H]1COC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C\C=C\CCC(=O)N1 InChI=1S/C25H26ClFN2O4/c26-20-10-6-17(7-11-20)15-28-24(31)14-19-4-2-1-3-5-23(30)29-22(16-33-25(19)32)18-8-12-21(27)13-9-18/h1-2,6-13,19,22H,3-5,14-16H2,(H,28,31)(H,29,30)/b2-1+/t19-,22-/m0/s1 VTIGBNHBOYANTF-ZMMOYELXSA-N 50392979 CHEMBL2152379 Smoothened homolog Mus musculus 5000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392979&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71460284 163342003 CHEMBL2152379 ZINC95576627 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957383 Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@@H](COC2=O)c2ccc(Cl)cc2)cc1 InChI=1S/C25H26Cl2N2O4/c26-20-10-6-17(7-11-20)15-28-24(31)14-19-4-2-1-3-5-23(30)29-22(16-33-25(19)32)18-8-12-21(27)13-9-18/h1-2,6-13,19,22H,3-5,14-16H2,(H,28,31)(H,29,30)/b2-1+/t19-,22-/m0/s1 QTLBMNJSLGONIJ-ZMMOYELXSA-N 50392980 CHEMBL2152380 Smoothened homolog Mus musculus 600 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392980&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 70680398 163342004 CHEMBL2152380 ZINC95576056 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957384 Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@@H](COC2=O)c2ccc(Cl)cc2)cc1 InChI=1S/C25H26Cl2N2O4/c26-20-10-6-17(7-11-20)15-28-24(31)14-19-4-2-1-3-5-23(30)29-22(16-33-25(19)32)18-8-12-21(27)13-9-18/h1-2,6-13,19,22H,3-5,14-16H2,(H,28,31)(H,29,30)/b2-1+/t19-,22-/m0/s1 QTLBMNJSLGONIJ-ZMMOYELXSA-N 50392980 CHEMBL2152380 Smoothened homolog Mus musculus 400 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392980&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 70680398 163342004 CHEMBL2152380 ZINC95576056 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957385 Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@@H](COC2=O)c2ccc(Cl)cn2)cc1 InChI=1S/C24H25Cl2N3O4/c25-18-8-6-16(7-9-18)13-28-23(31)12-17-4-2-1-3-5-22(30)29-21(15-33-24(17)32)20-11-10-19(26)14-27-20/h1-2,6-11,14,17,21H,3-5,12-13,15H2,(H,28,31)(H,29,30)/b2-1+/t17-,21-/m0/s1 FYOPZVCSTLIOCA-CBPPOCRISA-N 50392981 CHEMBL2152381 Smoothened homolog Mus musculus 4300 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392981&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71453058 163342005 CHEMBL2152381 ZINC95574264 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957386 Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@H](Cc3ccccc3)COC2=O)cc1 InChI=1S/C26H29ClN2O4/c27-22-13-11-20(12-14-22)17-28-25(31)16-21-9-5-2-6-10-24(30)29-23(18-33-26(21)32)15-19-7-3-1-4-8-19/h1-5,7-8,11-14,21,23H,6,9-10,15-18H2,(H,28,31)(H,29,30)/b5-2+/t21-,23+/m0/s1 UKWNCRJUNWWVSK-SZQTVFEFSA-N 50392976 CHEMBL2152376 Smoothened homolog Mus musculus 8800 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392976&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71451243 163342000 CHEMBL2152376 ZINC95580463 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957387 Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@@H](COC2=O)c2ccc(Cl)cc2)cc1 InChI=1S/C25H26Cl2N2O4/c26-20-10-6-17(7-11-20)15-28-24(31)14-19-4-2-1-3-5-23(30)29-22(16-33-25(19)32)18-8-12-21(27)13-9-18/h1-2,6-13,19,22H,3-5,14-16H2,(H,28,31)(H,29,30)/b2-1+/t19-,22-/m0/s1 QTLBMNJSLGONIJ-ZMMOYELXSA-N 50392980 CHEMBL2152380 Smoothened homolog Mus musculus 3500 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392980&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 70680398 163342004 CHEMBL2152380 ZINC95576056 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957388 C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1 QASFUMOKHFSJGL-LAFRSMQTSA-N 50232973 CHEMBL254129::CYCLOPAMINE Smoothened homolog Mus musculus 1500 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232973&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search CY8 6D32,5KZY,4O9R 442972 104055600 CHEMBL254129 C10798 ZINC04098868 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957389 Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@H](Cc3ccccc3)COC2=O)cc1 InChI=1S/C26H29ClN2O4/c27-22-13-11-20(12-14-22)17-28-25(31)16-21-9-5-2-6-10-24(30)29-23(18-33-26(21)32)15-19-7-3-1-4-8-19/h1-5,7-8,11-14,21,23H,6,9-10,15-18H2,(H,28,31)(H,29,30)/b5-2+/t21-,23+/m0/s1 UKWNCRJUNWWVSK-SZQTVFEFSA-N 50392976 CHEMBL2152376 Smoothened homolog Mus musculus 8100 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392976&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71451243 163342000 CHEMBL2152376 ZINC95580463 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957390 Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@@H](COC2=O)c2ccc(Cl)cc2)cc1 InChI=1S/C25H26Cl2N2O4/c26-20-10-6-17(7-11-20)15-28-24(31)14-19-4-2-1-3-5-23(30)29-22(16-33-25(19)32)18-8-12-21(27)13-9-18/h1-2,6-13,19,22H,3-5,14-16H2,(H,28,31)(H,29,30)/b2-1+/t19-,22-/m0/s1 QTLBMNJSLGONIJ-ZMMOYELXSA-N 50392980 CHEMBL2152380 Smoothened homolog Mus musculus 2000 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392980&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 70680398 163342004 CHEMBL2152380 ZINC95576056 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50957391 C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1 QASFUMOKHFSJGL-LAFRSMQTSA-N 50232973 CHEMBL254129::CYCLOPAMINE Smoothened homolog Mus musculus 1900 ChEMBL 10.1021/ml300172p 10.7270/Q26111D0 23074541 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232973&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search CY8 6D32,5KZY,4O9R 442972 104055600 CHEMBL254129 C10798 ZINC04098868 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961374 Cc1ccc(NC(=O)c2ccc(cc2)N2CCOCC2)cc1-c1nc(c[nH]1)-c1ccccc1 InChI=1S/C27H26N4O2/c1-19-7-10-22(17-24(19)26-28-18-25(30-26)20-5-3-2-4-6-20)29-27(32)21-8-11-23(12-9-21)31-13-15-33-16-14-31/h2-12,17-18H,13-16H2,1H3,(H,28,30)(H,29,32) KYWZXFGBEZZQSA-UHFFFAOYSA-N 50394395 CHEMBL2160078 Smoothened homolog Mus musculus 0.2 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394395&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24788668 163343419 CHEMBL2160078 ZINC95580071 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961375 COc1cc(OC)cc(c1)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccc(cc2[nH]1)N(C)C InChI=1S/C24H23ClN4O3/c1-29(2)16-6-8-21-22(12-16)28-23(27-21)19-11-15(5-7-20(19)25)26-24(30)14-9-17(31-3)13-18(10-14)32-4/h5-13H,1-4H3,(H,26,30)(H,27,28) UBHJFPVTEATUFS-UHFFFAOYSA-N 50249520 CHEMBL516246::N-(4-chloro-3-(5-(dimethylamino)-1H-benzo[d]imidazol-2-yl)phenyl)-3,5-dimethoxybenzamide::N-(4-chloro-3-(6-(dimethylamino)-1H-benzo[d]imidazol-2-yl)phenyl)-3,5-dimethoxybenzamide Smoothened homolog Mus musculus 3 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249520&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 9911630 104103797 CHEMBL516246 ZINC40917821 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961376 COc1cc(OC)cc(c1)C(=O)Nc1ccc(C)c(c1)-c1nc(c[nH]1)-c1ccccc1 InChI=1S/C25H23N3O3/c1-16-9-10-19(27-25(29)18-11-20(30-2)14-21(12-18)31-3)13-22(16)24-26-15-23(28-24)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,26,28)(H,27,29) UAPTZRKLJGVDTE-UHFFFAOYSA-N 50394396 CHEMBL2160079 Smoothened homolog Mus musculus 0.6 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394396&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24788727 163343420 CHEMBL2160079 ZINC95578485 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961377 C[C@@H]1CN(CCO1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2n1 InChI=1S/C28H25ClN6O/c1-18-17-35(13-14-36-18)26-10-8-21-24(33-26)11-12-30-27(21)32-20-7-9-23(29)22(15-20)28-31-16-25(34-28)19-5-3-2-4-6-19/h2-12,15-16,18H,13-14,17H2,1H3,(H,30,32)(H,31,34)/t18-/m1/s1 BSQHKYLMKDAHEX-GOSISDBHSA-N 50394397 CHEMBL2160067 Smoothened homolog Mus musculus 1.6 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394397&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 49840814 163343421 CHEMBL2160067 ZINC95060654 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961379 C[C@@H]1CN(CCO1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2n1 InChI=1S/C28H25ClN6O/c1-18-17-35(13-14-36-18)26-10-8-21-24(33-26)11-12-30-27(21)32-20-7-9-23(29)22(15-20)28-31-16-25(34-28)19-5-3-2-4-6-19/h2-12,15-16,18H,13-14,17H2,1H3,(H,30,32)(H,31,34)/t18-/m1/s1 BSQHKYLMKDAHEX-GOSISDBHSA-N 50394397 CHEMBL2160067 Smoothened homolog Mus musculus 11 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394397&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 49840814 163343421 CHEMBL2160067 ZINC95060654 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961380 C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2n1 InChI=1S/C29H27ClN6O/c1-18-16-36(17-19(2)37-18)27-11-9-22-25(34-27)12-13-31-28(22)33-21-8-10-24(30)23(14-21)29-32-15-26(35-29)20-6-4-3-5-7-20/h3-15,18-19H,16-17H2,1-2H3,(H,31,33)(H,32,35)/t18-,19+ RJYGMRSLXRNCGZ-KDURUIRLSA-N 50394398 CHEMBL2160068 Smoothened homolog Mus musculus 6 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394398&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24789011 163343422 CHEMBL2160068 ZINC95572034 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961381 C[C@H]1CN(C[C@@H](C)O1)c1cnc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)cccc2n1 InChI=1S/C29H27ClN6O/c1-18-16-36(17-19(2)37-18)27-15-31-28-24(9-6-10-25(28)34-27)33-21-11-12-23(30)22(13-21)29-32-14-26(35-29)20-7-4-3-5-8-20/h3-15,18-19,33H,16-17H2,1-2H3,(H,32,35)/t18-,19+ MEHXIYFEOYPTCR-KDURUIRLSA-N 50394399 CHEMBL2160069 Smoothened homolog Mus musculus 35 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394399&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71451511 163343423 CHEMBL2160069 ZINC95577904 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961382 C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)cccc2n1 InChI=1S/C30H28ClN5O/c1-19-17-36(18-20(2)37-19)29-14-12-23-26(9-6-10-27(23)34-29)33-22-11-13-25(31)24(15-22)30-32-16-28(35-30)21-7-4-3-5-8-21/h3-16,19-20,33H,17-18H2,1-2H3,(H,32,35)/t19-,20+ KUPFPZOAOUKIHE-BGYRXZFFSA-N 50394400 CHEMBL2160070 Smoothened homolog Mus musculus 5 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394400&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24788948 163343424 CHEMBL2160070 ZINC95574406 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961383 C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)ccnc2c1 InChI=1S/C30H28ClN5O/c1-19-17-36(18-20(2)37-19)23-9-10-24-27(12-13-32-28(24)15-23)34-22-8-11-26(31)25(14-22)30-33-16-29(35-30)21-6-4-3-5-7-21/h3-16,19-20H,17-18H2,1-2H3,(H,32,34)(H,33,35)/t19-,20+ ISCMIYUTBPBNHO-BGYRXZFFSA-N 50394401 CHEMBL2160071 Smoothened homolog Mus musculus 8 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394401&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24788207 163343425 CHEMBL2160071 ZINC95577835 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961384 C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2c1 InChI=1S/C30H28ClN5O/c1-19-17-36(18-20(2)37-19)24-9-10-25-22(14-24)12-13-32-29(25)34-23-8-11-27(31)26(15-23)30-33-16-28(35-30)21-6-4-3-5-7-21/h3-16,19-20H,17-18H2,1-2H3,(H,32,34)(H,33,35)/t19-,20+ IQBYYYDDWFBIMZ-BGYRXZFFSA-N 50394402 CHEMBL2160072 Smoothened homolog Mus musculus 3 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394402&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 58006515 163343426 CHEMBL2160072 ZINC88343207 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961385 C[C@@H]1CN(CCO1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2c1 InChI=1S/C29H26ClN5O/c1-19-18-35(13-14-36-19)23-8-9-24-21(15-23)11-12-31-28(24)33-22-7-10-26(30)25(16-22)29-32-17-27(34-29)20-5-3-2-4-6-20/h2-12,15-17,19H,13-14,18H2,1H3,(H,31,33)(H,32,34)/t19-/m1/s1 PCWHFHNXRARXTJ-LJQANCHMSA-N 50394403 CHEMBL2160074 Smoothened homolog Mus musculus 1.6 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394403&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 23725173 163343427 CHEMBL2160074 ZINC95573120 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961386 Clc1ccc(Nc2nccc3cc(ccc23)N2CCS(=O)(=O)CC2)cc1-c1nc(c[nH]1)-c1ccccc1 InChI=1S/C28H24ClN5O2S/c29-25-9-6-21(17-24(25)28-31-18-26(33-28)19-4-2-1-3-5-19)32-27-23-8-7-22(16-20(23)10-11-30-27)34-12-14-37(35,36)15-13-34/h1-11,16-18H,12-15H2,(H,30,32)(H,31,33) UOIMGERGVYFCHZ-UHFFFAOYSA-N 50394404 CHEMBL2160073 Smoothened homolog Mus musculus 31 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394404&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71451512 163343428 CHEMBL2160073 ZINC95575579 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961387 Clc1ccc(Nc2nccc3cc(ccc23)N2CCCCC2)cc1-c1nc(c[nH]1)-c1ccccc1 InChI=1S/C29H26ClN5/c30-26-12-9-22(18-25(26)29-32-19-27(34-29)20-7-3-1-4-8-20)33-28-24-11-10-23(17-21(24)13-14-31-28)35-15-5-2-6-16-35/h1,3-4,7-14,17-19H,2,5-6,15-16H2,(H,31,33)(H,32,34) LEZARDOZJPVBRW-UHFFFAOYSA-N 50394405 CHEMBL2160076 Smoothened homolog Mus musculus 12 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394405&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24788725 163343429 CHEMBL2160076 ZINC95580576 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961388 Clc1ccc(Nc2nccc3ccccc23)cc1-c1nc(c[nH]1)-c1ccccc1 InChI=1S/C24H17ClN4/c25-21-11-10-18(28-23-19-9-5-4-6-16(19)12-13-26-23)14-20(21)24-27-15-22(29-24)17-7-2-1-3-8-17/h1-15H,(H,26,28)(H,27,29) USCUNZFONNHOGC-UHFFFAOYSA-N 50394406 CHEMBL2160075 Smoothened homolog Mus musculus 157 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394406&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24788892 163343430 CHEMBL2160075 ZINC95580092 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961389 Clc1ccc(Nc2nccc3cc(ccc23)N2CCOCC2)cc1-c1nc(c[nH]1)-c1ccccc1 InChI=1S/C28H24ClN5O/c29-25-9-6-21(17-24(25)28-31-18-26(33-28)19-4-2-1-3-5-19)32-27-23-8-7-22(16-20(23)10-11-30-27)34-12-14-35-15-13-34/h1-11,16-18H,12-15H2,(H,30,32)(H,31,33) JSYOFULTRNYMKK-UHFFFAOYSA-N 50394407 CHEMBL2160077 Smoothened homolog Mus musculus 2.6 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394407&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24788599 163343431 CHEMBL2160077 ZINC95575591 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961390 C[C@@H]1CN(CCO1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2n1 InChI=1S/C28H25ClN6O/c1-18-17-35(13-14-36-18)26-10-8-21-24(33-26)11-12-30-27(21)32-20-7-9-23(29)22(15-20)28-31-16-25(34-28)19-5-3-2-4-6-19/h2-12,15-16,18H,13-14,17H2,1H3,(H,30,32)(H,31,34)/t18-/m1/s1 BSQHKYLMKDAHEX-GOSISDBHSA-N 50394397 CHEMBL2160067 Smoothened homolog Mus musculus 0.6 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394397&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 49840814 163343421 CHEMBL2160067 ZINC95060654 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961391 C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2n1 InChI=1S/C29H27ClN6O/c1-18-16-36(17-19(2)37-18)27-11-9-22-25(34-27)12-13-31-28(22)33-21-8-10-24(30)23(14-21)29-32-15-26(35-29)20-6-4-3-5-7-20/h3-15,18-19H,16-17H2,1-2H3,(H,31,33)(H,32,35)/t18-,19+ RJYGMRSLXRNCGZ-KDURUIRLSA-N 50394398 CHEMBL2160068 Smoothened homolog Mus musculus 0.2 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394398&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24789011 163343422 CHEMBL2160068 ZINC95572034 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961392 C[C@H]1CN(C[C@@H](C)O1)c1cnc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)cccc2n1 InChI=1S/C29H27ClN6O/c1-18-16-36(17-19(2)37-18)27-15-31-28-24(9-6-10-25(28)34-27)33-21-11-12-23(30)22(13-21)29-32-14-26(35-29)20-7-4-3-5-8-20/h3-15,18-19,33H,16-17H2,1-2H3,(H,32,35)/t18-,19+ MEHXIYFEOYPTCR-KDURUIRLSA-N 50394399 CHEMBL2160069 Smoothened homolog Mus musculus 3 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394399&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71451511 163343423 CHEMBL2160069 ZINC95577904 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961393 C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)cccc2n1 InChI=1S/C30H28ClN5O/c1-19-17-36(18-20(2)37-19)29-14-12-23-26(9-6-10-27(23)34-29)33-22-11-13-25(31)24(15-22)30-32-16-28(35-30)21-7-4-3-5-8-21/h3-16,19-20,33H,17-18H2,1-2H3,(H,32,35)/t19-,20+ KUPFPZOAOUKIHE-BGYRXZFFSA-N 50394400 CHEMBL2160070 Smoothened homolog Mus musculus 0.3 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394400&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24788948 163343424 CHEMBL2160070 ZINC95574406 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961394 C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)ccnc2c1 InChI=1S/C30H28ClN5O/c1-19-17-36(18-20(2)37-19)23-9-10-24-27(12-13-32-28(24)15-23)34-22-8-11-26(31)25(14-22)30-33-16-29(35-30)21-6-4-3-5-7-21/h3-16,19-20H,17-18H2,1-2H3,(H,32,34)(H,33,35)/t19-,20+ ISCMIYUTBPBNHO-BGYRXZFFSA-N 50394401 CHEMBL2160071 Smoothened homolog Mus musculus 0.4 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394401&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24788207 163343425 CHEMBL2160071 ZINC95577835 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961395 C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2c1 InChI=1S/C30H28ClN5O/c1-19-17-36(18-20(2)37-19)24-9-10-25-22(14-24)12-13-32-29(25)34-23-8-11-27(31)26(15-23)30-33-16-28(35-30)21-6-4-3-5-7-21/h3-16,19-20H,17-18H2,1-2H3,(H,32,34)(H,33,35)/t19-,20+ IQBYYYDDWFBIMZ-BGYRXZFFSA-N 50394402 CHEMBL2160072 Smoothened homolog Mus musculus 0.1 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394402&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 58006515 163343426 CHEMBL2160072 ZINC88343207 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961396 C[C@@H]1CN(CCO1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2c1 InChI=1S/C29H26ClN5O/c1-19-18-35(13-14-36-19)23-8-9-24-21(15-23)11-12-31-28(24)33-22-7-10-26(30)25(16-22)29-32-17-27(34-29)20-5-3-2-4-6-20/h2-12,15-17,19H,13-14,18H2,1H3,(H,31,33)(H,32,34)/t19-/m1/s1 PCWHFHNXRARXTJ-LJQANCHMSA-N 50394403 CHEMBL2160074 Smoothened homolog Mus musculus 0.1 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394403&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 23725173 163343427 CHEMBL2160074 ZINC95573120 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961397 Clc1ccc(Nc2nccc3cc(ccc23)N2CCS(=O)(=O)CC2)cc1-c1nc(c[nH]1)-c1ccccc1 InChI=1S/C28H24ClN5O2S/c29-25-9-6-21(17-24(25)28-31-18-26(33-28)19-4-2-1-3-5-19)32-27-23-8-7-22(16-20(23)10-11-30-27)34-12-14-37(35,36)15-13-34/h1-11,16-18H,12-15H2,(H,30,32)(H,31,33) UOIMGERGVYFCHZ-UHFFFAOYSA-N 50394404 CHEMBL2160073 Smoothened homolog Mus musculus 2 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394404&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 71451512 163343428 CHEMBL2160073 ZINC95575579 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961398 Clc1ccc(Nc2nccc3cc(ccc23)N2CCCCC2)cc1-c1nc(c[nH]1)-c1ccccc1 InChI=1S/C29H26ClN5/c30-26-12-9-22(18-25(26)29-32-19-27(34-29)20-7-3-1-4-8-20)33-28-24-11-10-23(17-21(24)13-14-31-28)35-15-5-2-6-16-35/h1,3-4,7-14,17-19H,2,5-6,15-16H2,(H,31,33)(H,32,34) LEZARDOZJPVBRW-UHFFFAOYSA-N 50394405 CHEMBL2160076 Smoothened homolog Mus musculus 0.6 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394405&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24788725 163343429 CHEMBL2160076 ZINC95580576 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961399 Clc1ccc(Nc2nccc3ccccc23)cc1-c1nc(c[nH]1)-c1ccccc1 InChI=1S/C24H17ClN4/c25-21-11-10-18(28-23-19-9-5-4-6-16(19)12-13-26-23)14-20(21)24-27-15-22(29-24)17-7-2-1-3-8-17/h1-15H,(H,26,28)(H,27,29) USCUNZFONNHOGC-UHFFFAOYSA-N 50394406 CHEMBL2160075 Smoothened homolog Mus musculus 19 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394406&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24788892 163343430 CHEMBL2160075 ZINC95580092 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50961400 Clc1ccc(Nc2nccc3cc(ccc23)N2CCOCC2)cc1-c1nc(c[nH]1)-c1ccccc1 InChI=1S/C28H24ClN5O/c29-25-9-6-21(17-24(25)28-31-18-26(33-28)19-4-2-1-3-5-19)32-27-23-8-7-22(16-20(23)10-11-30-27)34-12-14-35-15-13-34/h1-11,16-18H,12-15H2,(H,30,32)(H,31,33) JSYOFULTRNYMKK-UHFFFAOYSA-N 50394407 CHEMBL2160077 Smoothened homolog Mus musculus 0.1 ChEMBL 10.1016/j.bmcl.2012.09.013 10.7270/Q2RB75PK 23036954 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Genomics Institute of the Novartis Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394407&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 24788599 163343431 CHEMBL2160077 ZINC95575591 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521931 CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCCCC)c1=O InChI=1S/C27H32N2O5/c1-3-5-7-10-17-29-22-12-9-8-11-21(22)24(30)23(26(29)32)25(31)28-20-15-13-19(14-16-20)27(33)34-18-6-4-2/h8-9,11-16,30H,3-7,10,17-18H2,1-2H3,(H,28,31) PEJHGYQZIWQDEI-UHFFFAOYSA-N 50196074 CHEMBL3919826 Smoothened homolog Mus musculus 1500 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196074&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 54687077 375977302 CHEMBL3919826 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521932 CCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCCCC)c1=O InChI=1S/C26H30N2O5/c1-3-5-9-16-28-21-11-8-7-10-20(21)23(29)22(25(28)31)24(30)27-19-14-12-18(13-15-19)26(32)33-17-6-4-2/h7-8,10-15,29H,3-6,9,16-17H2,1-2H3,(H,27,30) RQMAHEHNPQIISH-UHFFFAOYSA-N 50196075 CHEMBL3894352 Smoothened homolog Mus musculus 600 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196075&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 54683108 375977303 CHEMBL3894352 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521933 CCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCC)c1=O InChI=1S/C24H26N2O5/c1-3-5-8-15-26-19-10-7-6-9-18(19)21(27)20(23(26)29)22(28)25-17-13-11-16(12-14-17)24(30)31-4-2/h6-7,9-14,27H,3-5,8,15H2,1-2H3,(H,25,28) FVHLUDQNADQGOY-UHFFFAOYSA-N 50196076 CHEMBL3965788 Smoothened homolog Mus musculus 900 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196076&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 54676600 375977304 CHEMBL3965788 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521934 CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c1=O InChI=1S/C26H30N2O5/c1-3-5-6-9-16-28-21-11-8-7-10-20(21)23(29)22(25(28)31)24(30)27-19-14-12-18(13-15-19)26(32)33-17-4-2/h7-8,10-15,29H,3-6,9,16-17H2,1-2H3,(H,27,30) MDLUYYGRCGDKGL-UHFFFAOYSA-N 50196077 CHEMBL3947608 Smoothened homolog Mus musculus 1200 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196077&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 54683103 375977305 CHEMBL3947608 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521935 C1CCC(CC1)n1cnc2c(Nc3ccc(cc3)N3CCOCC3)nc(Oc3cccc4ccccc34)nc12 InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35) FYBHCRQFSFYWPY-UHFFFAOYSA-N 50324671 CHEMBL1221984::Purmorphamine Smoothened homolog Mus musculus 800 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324671&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 5284329 117645992 63053 CHEMBL1221984 ZINC14806830 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521936 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(C)ccc3n(CCC)c2=O)cc1 InChI=1S/C24H26N2O5/c1-4-12-26-19-11-6-15(3)14-18(19)21(27)20(23(26)29)22(28)25-17-9-7-16(8-10-17)24(30)31-13-5-2/h6-11,14,27H,4-5,12-13H2,1-3H3,(H,25,28) CBDWGNBITJLFQB-UHFFFAOYSA-N 50196078 CHEMBL3899175 Smoothened homolog Mus musculus 1200 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196078&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134133528 375977306 CHEMBL3899175 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521937 CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCC)c1=O InChI=1S/C25H28N2O5/c1-3-5-6-9-16-27-20-11-8-7-10-19(20)22(28)21(24(27)30)23(29)26-18-14-12-17(13-15-18)25(31)32-4-2/h7-8,10-15,28H,3-6,9,16H2,1-2H3,(H,26,29) XKLQBWMCEBUCRR-UHFFFAOYSA-N 50196079 CHEMBL3891055 Smoothened homolog Mus musculus 3600 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196079&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 54679498 375977307 CHEMBL3891055 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521938 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(OC)c(OC)cc3n(CCC)c2=O)cc1 InChI=1S/C25H28N2O7/c1-5-11-27-18-14-20(33-4)19(32-3)13-17(18)22(28)21(24(27)30)23(29)26-16-9-7-15(8-10-16)25(31)34-12-6-2/h7-10,13-14,28H,5-6,11-12H2,1-4H3,(H,26,29) MPIXPRXCTZTZFV-UHFFFAOYSA-N 50196080 CHEMBL3927217 Smoothened homolog Mus musculus 360 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196080&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134141883 375977308 CHEMBL3927217 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521939 CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(O)=O)c1=O InChI=1S/C23H24N2O5/c1-2-3-4-7-14-25-18-9-6-5-8-17(18)20(26)19(22(25)28)21(27)24-16-12-10-15(11-13-16)23(29)30/h5-6,8-13,26H,2-4,7,14H2,1H3,(H,24,27)(H,29,30) AXXMRDVYSRUCIM-UHFFFAOYSA-N 50196081 CHEMBL3971451 Smoothened homolog Mus musculus 600 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196081&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 57331381 375977309 CHEMBL3971451 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521940 CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)NCCCC)c1=O InChI=1S/C27H33N3O4/c1-3-5-7-10-18-30-22-12-9-8-11-21(22)24(31)23(27(30)34)26(33)29-20-15-13-19(14-16-20)25(32)28-17-6-4-2/h8-9,11-16,31H,3-7,10,17-18H2,1-2H3,(H,28,32)(H,29,33) OOYAFMVEKIKLOB-UHFFFAOYSA-N 50196082 CHEMBL3923290 Smoothened homolog Mus musculus 5800 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196082&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 69672428 375977310 CHEMBL3923290 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521941 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cccc4CCCn(c34)c2=O)cc1 InChI=1S/C23H22N2O5/c1-2-13-30-23(29)15-8-10-16(11-9-15)24-21(27)18-20(26)17-7-3-5-14-6-4-12-25(19(14)17)22(18)28/h3,5,7-11,26H,2,4,6,12-13H2,1H3,(H,24,27) RDNFLBBBUYNDFP-UHFFFAOYSA-N 50196083 CHEMBL3954578 Smoothened homolog Mus musculus 800 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196083&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 54676175 375977311 CHEMBL3954578 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521942 CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2ccccc2c1Cl InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/t22-,23- VFSUUTYAEQOIMW-YHBQERECSA-N 50393851 CHEMBL1221983 Smoothened homolog Mus musculus 130 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393851&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search V0S 7ZI0,6XBL 5284330 163342875 CHEMBL1221983 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521943 CCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c1=O InChI=1S/C25H28N2O5/c1-3-5-8-15-27-20-10-7-6-9-19(20)22(28)21(24(27)30)23(29)26-18-13-11-17(12-14-18)25(31)32-16-4-2/h6-7,9-14,28H,3-5,8,15-16H2,1-2H3,(H,26,29) JZEFURLEFPRSJF-UHFFFAOYSA-N 50196084 CHEMBL3970506 Smoothened homolog Mus musculus 700 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196084&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 54679533 375977312 CHEMBL3970506 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521944 CCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c1=O InChI=1S/C24H26N2O5/c1-3-5-14-26-19-9-7-6-8-18(19)21(27)20(23(26)29)22(28)25-17-12-10-16(11-13-17)24(30)31-15-4-2/h6-13,27H,3-5,14-15H2,1-2H3,(H,25,28) GZKCRVUTBBOLCK-UHFFFAOYSA-N 50196085 CHEMBL3941789 Smoothened homolog Mus musculus 800 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196085&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 54683102 375977313 CHEMBL3941789 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521945 CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCc2ccccc2)c1=O InChI=1S/C30H30N2O5/c1-2-3-4-10-19-32-25-14-9-8-13-24(25)27(33)26(29(32)35)28(34)31-23-17-15-22(16-18-23)30(36)37-20-21-11-6-5-7-12-21/h5-9,11-18,33H,2-4,10,19-20H2,1H3,(H,31,34) GIKUJDCVWYROLZ-UHFFFAOYSA-N 50196086 CHEMBL3974265 Smoothened homolog Mus musculus 2000 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196086&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 67618850 375977314 CHEMBL3974265 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521946 CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OC(C)C)c1=O InChI=1S/C26H30N2O5/c1-4-5-6-9-16-28-21-11-8-7-10-20(21)23(29)22(25(28)31)24(30)27-19-14-12-18(13-15-19)26(32)33-17(2)3/h7-8,10-15,17,29H,4-6,9,16H2,1-3H3,(H,27,30) HRBNNUIXPOOZBK-UHFFFAOYSA-N 50196087 CHEMBL3903318 Smoothened homolog Mus musculus 6500 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196087&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 69673604 375977315 CHEMBL3903318 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521947 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3n(CC=C)c2=O)cc1 InChI=1S/C23H22N2O5/c1-3-13-25-18-8-6-5-7-17(18)20(26)19(22(25)28)21(27)24-16-11-9-15(10-12-16)23(29)30-14-4-2/h3,5-12,26H,1,4,13-14H2,2H3,(H,24,27) CUKVXJRCLAGDMJ-UHFFFAOYSA-N 50196088 CHEMBL3979766 Smoothened homolog Mus musculus 3400 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196088&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 54697820 375977316 CHEMBL3979766 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521948 CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2ccccc2c1Cl InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/t22-,23- VFSUUTYAEQOIMW-YHBQERECSA-N 50393851 CHEMBL1221983 Smoothened homolog Mus musculus 30 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393851&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search V0S 7ZI0,6XBL 5284330 163342875 CHEMBL1221983 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521949 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(Cl)ccc3n(CCC)c2=O)cc1 InChI=1S/C23H23ClN2O5/c1-3-11-26-18-10-7-15(24)13-17(18)20(27)19(22(26)29)21(28)25-16-8-5-14(6-9-16)23(30)31-12-4-2/h5-10,13,27H,3-4,11-12H2,1-2H3,(H,25,28) CQNXXBJHIPRSJP-UHFFFAOYSA-N 50196089 CHEMBL3950627 Smoothened homolog Mus musculus 4900 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196089&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134147508 375977317 CHEMBL3950627 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521950 CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OC(C)(C)C)c1=O InChI=1S/C27H32N2O5/c1-5-6-7-10-17-29-21-12-9-8-11-20(21)23(30)22(25(29)32)24(31)28-19-15-13-18(14-16-19)26(33)34-27(2,3)4/h8-9,11-16,30H,5-7,10,17H2,1-4H3,(H,28,31) PMOHJLLVOYCGBV-UHFFFAOYSA-N 50196090 CHEMBL3958271 Smoothened homolog Mus musculus 3100 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196090&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 67627060 375977318 CHEMBL3958271 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521951 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3n(CCC)c2=O)cc1 InChI=1S/C23H24N2O5/c1-3-13-25-18-8-6-5-7-17(18)20(26)19(22(25)28)21(27)24-16-11-9-15(10-12-16)23(29)30-14-4-2/h5-12,26H,3-4,13-14H2,1-2H3,(H,24,27) ZKASUPWOHUOQDS-UHFFFAOYSA-N 50196091 CHEMBL3925255 Smoothened homolog Mus musculus 2600 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196091&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 54679507 375977319 CHEMBL3925255 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50521952 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(F)ccc3n(CCC)c2=O)cc1 InChI=1S/C23H23FN2O5/c1-3-11-26-18-10-7-15(24)13-17(18)20(27)19(22(26)29)21(28)25-16-8-5-14(6-9-16)23(30)31-12-4-2/h5-10,13,27H,3-4,11-12H2,1-2H3,(H,25,28) IGEKMFWBKCLLSI-UHFFFAOYSA-N 50196092 CHEMBL3922897 Smoothened homolog Mus musculus 2400 ChEMBL 10.1016/j.ejmech.2016.05.062 10.7270/Q2W66NQ9 27429255 Manetti, F; Petricci, E; Gabrielli, A; Mann, A; Faure, H; Gorojankina, T; Brasseur, L; Hoch, L; Ruat, M; Taddei, M Universit£ di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196092&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 134139288 375977320 CHEMBL3922897 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50693497 COc1cccc(c1)C(=O)c1c([nH]c2ccccc2c1=O)-c1ccccc1 InChI=1S/C23H17NO3/c1-27-17-11-7-10-16(14-17)22(25)20-21(15-8-3-2-4-9-15)24-19-13-6-5-12-18(19)23(20)26/h2-14H,1H3,(H,24,26) UFFCGCBNLVMSAO-UHFFFAOYSA-N 50233217 CHEMBL4090942 Smoothened homolog Mus musculus 13760 ChEMBL 10.1021/acs.jmedchem.6b01135 10.7270/Q25X2C51 28122186 Alfonsi, R; Botta, B; Cacchi, S; Di Marcotullio, L; Fabrizi, G; Faedda, R; Goggiamani, A; Iazzetti, A; Mori, M Sapienza University of Rome http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233217&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137644724 384583585 CHEMBL4090942 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 50693501 Brc1ccc2[nH]c(-c3ccccc3)c(C(=O)c3ccccc3)c(=O)c2c1 InChI=1S/C22H14BrNO2/c23-16-11-12-18-17(13-16)22(26)19(21(25)15-9-5-2-6-10-15)20(24-18)14-7-3-1-4-8-14/h1-13H,(H,24,26) OWXXWSGLWGSRRH-UHFFFAOYSA-N 50233218 CHEMBL4063037 Smoothened homolog Mus musculus 23960 ChEMBL 10.1021/acs.jmedchem.6b01135 10.7270/Q25X2C51 28122186 Alfonsi, R; Botta, B; Cacchi, S; Di Marcotullio, L; Fabrizi, G; Faedda, R; Goggiamani, A; Iazzetti, A; Mori, M Sapienza University of Rome http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233218&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 132606868 384583586 CHEMBL4063037 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51047162 COc1cc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cnc1-c1ccnc(C)c1 InChI=1S/C26H22N4O2/c1-16-11-18(9-10-27-16)25-24(32-2)12-17(14-28-25)15-29-26(31)19-7-8-21-20-5-3-4-6-22(20)30-23(21)13-19/h3-14,30H,15H2,1-2H3,(H,29,31) BLLKBDFOLOWWEK-UHFFFAOYSA-N 50458258 CHEMBL4215124 Smoothened homolog Mus musculus 3661 ChEMBL 10.1016/j.ejmech.2018.02.034 10.7270/Q2PR7ZMQ 29499483 Ma, H; Chen, Q; Zhu, F; Zheng, J; Li, J; Zhang, H; Chen, S; Xing, H; Luo, L; Zheng, LT; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458258&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145973007 433925523 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51047163 Cc1cc(ccn1)-c1ncc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cc1C#N InChI=1S/C26H19N5O/c1-16-10-18(8-9-28-16)25-20(13-27)11-17(14-29-25)15-30-26(32)19-6-7-22-21-4-2-3-5-23(21)31-24(22)12-19/h2-12,14,31H,15H2,1H3,(H,30,32) MIRIRXFJHRSWCL-UHFFFAOYSA-N 50458259 CHEMBL4215992 Smoothened homolog Mus musculus 1223 ChEMBL 10.1016/j.ejmech.2018.02.034 10.7270/Q2PR7ZMQ 29499483 Ma, H; Chen, Q; Zhu, F; Zheng, J; Li, J; Zhang, H; Chen, S; Xing, H; Luo, L; Zheng, LT; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458259&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145972105 433925524 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51047164 Cc1cc(ccn1)-c1ncc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cc1F InChI=1S/C25H19FN4O/c1-15-10-17(8-9-27-15)24-21(26)11-16(13-28-24)14-29-25(31)18-6-7-20-19-4-2-3-5-22(19)30-23(20)12-18/h2-13,30H,14H2,1H3,(H,29,31) GOMFFTZBKYVUOE-UHFFFAOYSA-N 50197277 CHEMBL3972086 Smoothened homolog Mus musculus 71 ChEMBL 10.1016/j.ejmech.2018.02.034 10.7270/Q2PR7ZMQ 29499483 Ma, H; Chen, Q; Zhu, F; Zheng, J; Li, J; Zhang, H; Chen, S; Xing, H; Luo, L; Zheng, LT; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197277&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 132578555 375977780 CHEMBL3972086 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51047176 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24) BPQMGSKTAYIVFO-UHFFFAOYSA-N 50249522 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide::CHEMBL473417::VISMODEGIB Smoothened homolog Mus musculus 6.0 ChEMBL 10.1016/j.ejmech.2018.02.034 10.7270/Q2PR7ZMQ 29499483 Ma, H; Chen, Q; Zhu, F; Zheng, J; Li, J; Zhang, H; Chen, S; Xing, H; Luo, L; Zheng, LT; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249522&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search VIS 8HJE,5L7I 24776445 104103799 66903 CHEMBL473417 DB08828 6975 ZINC40899447 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101601 COc1ccc2[nH]cc(CCNC(=O)c3ccccc3NC(=O)c3nsc4ccccc34)c2c1 InChI=1S/C26H22N4O3S/c1-33-17-10-11-21-20(14-17)16(15-28-21)12-13-27-25(31)18-6-2-4-8-22(18)29-26(32)24-19-7-3-5-9-23(19)34-30-24/h2-11,14-15,28H,12-13H2,1H3,(H,27,31)(H,29,32) PHJRKAVKJCTJMS-UHFFFAOYSA-N 50413066 CHEMBL4167470 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50413066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50413066&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 53013033 163362090 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101602 CC1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)N2CCN(CC2)c2ccccc2)n1 InChI=1S/C27H29N5O3/c1-20-19-21-7-5-6-10-24(21)32(20)27(35)23-11-12-26(34)31(28-23)14-13-25(33)30-17-15-29(16-18-30)22-8-3-2-4-9-22/h2-12,20H,13-19H2,1H3 RVTYJKNYZNNAGJ-UHFFFAOYSA-N 50413067 CHEMBL4172388 Smoothened homolog Mus musculus 3000 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50413067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50413067&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 53066218 163362091 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101603 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24) BPQMGSKTAYIVFO-UHFFFAOYSA-N 50249522 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide::CHEMBL473417::VISMODEGIB Smoothened homolog Mus musculus 46 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249522&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search VIS 8HJE,5L7I 24776445 104103799 66903 CHEMBL473417 DB08828 6975 ZINC40899447 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101604 CCNC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)cc1 InChI=1S/C22H28N6OS/c1-3-23-20(29)17-10-13-27(14-11-17)21-25-26-22(30-21)28-12-4-5-19(28)15-24-18-8-6-16(2)7-9-18/h4-9,12,17,24H,3,10-11,13-15H2,1-2H3,(H,23,29) MPTILXYZFCMZHW-UHFFFAOYSA-N 50414479 CHEMBL4171838 Smoothened homolog Mus musculus 5200 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50414479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50414479&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145950937 163363503 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101605 Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NCC2CC2)cc1 InChI=1S/C24H30N6OS/c1-17-4-8-20(9-5-17)25-16-21-3-2-12-30(21)24-28-27-23(32-24)29-13-10-19(11-14-29)22(31)26-15-18-6-7-18/h2-5,8-9,12,18-19,25H,6-7,10-11,13-16H2,1H3,(H,26,31) SSSCMBMMNBOAGG-UHFFFAOYSA-N 50414486 CHEMBL4173721 Smoothened homolog Mus musculus 1700 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50414486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50414486&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145951647 163363510 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101606 Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NCC(C)(C)O)cc1 InChI=1S/C24H32N6O2S/c1-17-6-8-19(9-7-17)25-15-20-5-4-12-30(20)23-28-27-22(33-23)29-13-10-18(11-14-29)21(31)26-16-24(2,3)32/h4-9,12,18,25,32H,10-11,13-16H2,1-3H3,(H,26,31) SUIOHPLKNWRVGJ-UHFFFAOYSA-N 50418101 CHEMBL4169989 Smoothened homolog Mus musculus 4300 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418101&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145953289 163367125 ZINC40429890 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101607 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)nc1 InChI=1S/C23H25N3O3/c1-4-8-19(22-24-17-9-6-7-10-18(17)25-22)26-23(27)21-14(3)16-13-15(28-5-2)11-12-20(16)29-21/h6-7,9-13,19H,4-5,8H2,1-3H3,(H,24,25)(H,26,27)/t19-/m0/s1 ZIDHZBQDIGCORW-IBGZPJMESA-N 50418336 CHEMBL4168846 Smoothened homolog Mus musculus 240 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418336&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145955974 163367360 ZINC71332289 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101608 CC(C)CNC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)cc1 InChI=1S/C22H23N3O5S/c1-4-29-14-9-10-19-15(11-14)13(2)20(30-19)22(26)25-18(12-31(3,27)28)21-23-16-7-5-6-8-17(16)24-21/h5-11,18H,4,12H2,1-3H3,(H,23,24)(H,25,26) KEBROSDILQVMIR-UHFFFAOYSA-N 50418337 CHEMBL4161601 Smoothened homolog Mus musculus 1096 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418337&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145959437 163367361 ZINC71342064 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101609 Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NC2CCCC2)cc1 InChI=1S/C22H23N3O3S/c1-4-27-14-9-10-19-15(11-14)13(2)20(28-19)22(26)25-18(12-29-3)21-23-16-7-5-6-8-17(16)24-21/h5-11,18H,4,12H2,1-3H3,(H,23,24)(H,25,26)/t18-/m1/s1 HPIAEZYZZHLOTA-GOSISDBHSA-N 50418338 CHEMBL4163487 Smoothened homolog Mus musculus 525 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418338&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 20885876 163367362 ZINC71331027 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101610 Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NC2CCCCC2)cc1 InChI=1S/C22H23N3O3S/c1-4-27-14-9-10-19-15(11-14)13(2)20(28-19)22(26)25-18(12-29-3)21-23-16-7-5-6-8-17(16)24-21/h5-11,18H,4,12H2,1-3H3,(H,23,24)(H,25,26)/t18-/m0/s1 HPIAEZYZZHLOTA-SFHVURJKSA-N 50418339 CHEMBL4168100 Smoothened homolog Mus musculus 661 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418339&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145953652 163367363 ZINC71331653 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101611 Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)N2CCCC2)cc1 InChI=1S/C18H18ClN3OS2/c1-24-9-8-14(22-18(23)16-13(19)7-10-25-16)17-20-11-15(21-17)12-5-3-2-4-6-12/h2-7,10-11,14H,8-9H2,1H3,(H,20,21)(H,22,23) FWDNODOSFRVJDL-UHFFFAOYSA-N 50418340 CHEMBL4176279 Smoothened homolog Mus musculus 4266 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418340&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145973140 163367364 ZINC71341499 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101612 Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NCC(C)(C)O)cc1 InChI=1S/C24H32N6O2S/c1-17-6-8-19(9-7-17)25-15-20-5-4-12-30(20)23-28-27-22(33-23)29-13-10-18(11-14-29)21(31)26-16-24(2,3)32/h4-9,12,18,25,32H,10-11,13-16H2,1-3H3,(H,26,31) SUIOHPLKNWRVGJ-UHFFFAOYSA-N 50418101 CHEMBL4169989 Smoothened homolog Mus musculus 4266 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418101&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145953289 163367125 ZINC40429890 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101613 Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)N2CCC(O)C2)cc1 InChI=1S/C21H23N5O3S/c1-4-28-13-5-6-17-14(9-13)12(2)18(29-17)21(27)25-15(7-8-30-3)20-24-16-10-22-11-23-19(16)26-20/h5-6,9-11,15H,4,7-8H2,1-3H3,(H,25,27)(H,22,23,24,26) YRQMVIYITJJIGP-UHFFFAOYSA-N 50418341 CHEMBL4159684 Smoothened homolog Mus musculus 7586 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418341&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145957855 163367365 ZINC71335288 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101614 Cc1oc(nc1CN1CCC(CC1)C(=O)NC1CCCc2ccccc12)-c1cccc(Cl)c1 InChI=1S/C22H24N4O3S/c1-4-28-14-7-8-18-15(12-14)13(2)19(29-18)22(27)25-17(9-11-30-3)21-24-16-6-5-10-23-20(16)26-21/h5-8,10,12,17H,4,9,11H2,1-3H3,(H,25,27)(H,23,24,26) XOQVIIRWRLDGDX-UHFFFAOYSA-N 50418342 CHEMBL4171049 Smoothened homolog Mus musculus 950 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418342&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 20859887 163367366 ZINC71405036 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101615 CC(NC(=O)C1CCN(CC1)c1nccn2nc(cc12)-c1ccc(C)c(C)c1)c1ccccc1 InChI=1S/C22H24N4O3S/c1-4-28-14-5-6-19-15(11-14)13(2)20(29-19)22(27)26-17(8-10-30-3)21-24-16-7-9-23-12-18(16)25-21/h5-7,9,11-12,17H,4,8,10H2,1-3H3,(H,24,25)(H,26,27) MDIXZEBSCHRVDY-UHFFFAOYSA-N 50418343 CHEMBL4168517 Smoothened homolog Mus musculus 4600 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418343&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 50797410 163367367 ZINC71341238 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101616 CC(CNC(=O)c1ccc2NC(CS(=O)(=O)Cc3ccc(F)cc3Cl)C(=O)Nc2c1)N1CCC(C)CC1 InChI=1S/C26H24N4OS/c1-32-16-15-23(29-26(31)21-7-3-2-4-8-21)25-28-22-9-5-6-10-24(22)30(25)18-20-13-11-19(17-27)12-14-20/h2-14,23H,15-16,18H2,1H3,(H,29,31) DHNKGZRZFTXMAC-UHFFFAOYSA-N 50418344 CHEMBL4176376 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418344&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 46371794 163367368 ZINC09562811 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101617 Oc1ccccc1CN1CCN(CC1)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cn1 InChI=1S/C25H25N3OS/c1-30-17-16-22(27-25(29)20-12-6-3-7-13-20)24-26-21-14-8-9-15-23(21)28(24)18-19-10-4-2-5-11-19/h2-15,22H,16-18H2,1H3,(H,27,29) VKHJSCXSYKYORB-UHFFFAOYSA-N 50418345 CHEMBL4164165 Smoothened homolog Mus musculus 2400 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418345&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 46053738 163367369 ZINC12371850 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101618 Fc1ccc(CN2CCCN(C2=O)c2cccc(NC(=O)OCc3ccccc3)c2)cc1F InChI=1S/C19H21N3OS/c1-13-7-9-14(10-8-13)19(23)22-17(11-12-24-2)18-20-15-5-3-4-6-16(15)21-18/h3-10,17H,11-12H2,1-2H3,(H,20,21)(H,22,23) TTXDSEIOALFCFG-UHFFFAOYSA-N 50418346 CHEMBL4175623 Smoothened homolog Mus musculus 1200 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418346&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 46040695 163367370 ZINC12542199 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101619 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)cc1 InChI=1S/C16H16ClN3OS2/c1-22-8-7-13(20-16(21)14-10(17)6-9-23-14)15-18-11-4-2-3-5-12(11)19-15/h2-6,9,13H,7-8H2,1H3,(H,18,19)(H,20,21) JOBQEJLXPYTGGO-UHFFFAOYSA-N 50418347 CHEMBL4167751 Smoothened homolog Mus musculus 47 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418347&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 20885871 163367371 ZINC71340978 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101620 COc1cc(F)ccc1S(=O)(=O)NCCNc1nc(nc2ccccc12)-c1ccc(F)cc1 InChI=1S/C16H18N4O2S/c1-10-14(22-9-17-10)16(21)20-13(7-8-23-2)15-18-11-5-3-4-6-12(11)19-15/h3-6,9,13H,7-8H2,1-2H3,(H,18,19)(H,20,21) VVZXCOJNLKXUQD-UHFFFAOYSA-N 50418348 CHEMBL4165419 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418348&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 83284521 163367372 ZINC71341975 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101621 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)nc1 InChI=1S/C23H25N3O3/c1-4-8-19(22-24-17-9-6-7-10-18(17)25-22)26-23(27)21-14(3)16-13-15(28-5-2)11-12-20(16)29-21/h6-7,9-13,19H,4-5,8H2,1-3H3,(H,24,25)(H,26,27)/t19-/m0/s1 ZIDHZBQDIGCORW-IBGZPJMESA-N 50418336 CHEMBL4168846 Smoothened homolog Mus musculus 240 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418336&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145955974 163367360 ZINC71332289 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101622 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)cn1 InChI=1S/C18H25N3OS/c1-23-12-11-16(21-18(22)13-7-3-2-4-8-13)17-19-14-9-5-6-10-15(14)20-17/h5-6,9-10,13,16H,2-4,7-8,11-12H2,1H3,(H,19,20)(H,21,22) QCFABUCGHMDLHD-UHFFFAOYSA-N 50418349 CHEMBL4160906 Smoothened homolog Mus musculus 58 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418349&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145963332 163367373 ZINC06016731 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101623 CC(C)NC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)cc1 InChI=1S/C16H17N5OS/c1-23-9-6-13(21-16(22)14-10-17-7-8-18-14)15-19-11-4-2-3-5-12(11)20-15/h2-5,7-8,10,13H,6,9H2,1H3,(H,19,20)(H,21,22) VZHKXQQVXCNJAM-UHFFFAOYSA-N 50418350 CHEMBL1600636 Smoothened homolog Mus musculus 1200 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418350&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 16011265 163367374 ZINC24988886 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101624 Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NC2CC2)cc1 InChI=1S/C17H19N3O2S/c1-11-7-9-22-15(11)17(21)20-14(8-10-23-2)16-18-12-5-3-4-6-13(12)19-16/h3-7,9,14H,8,10H2,1-2H3,(H,18,19)(H,20,21) KTTJSTCZONMQFO-UHFFFAOYSA-N 50418353 CHEMBL4171870 Smoothened homolog Mus musculus 4200 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418353&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 20885873 163367377 ZINC49600758 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101625 CC(C)CNC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)cc1 InChI=1S/C22H23N3O5S/c1-4-29-14-9-10-19-15(11-14)13(2)20(30-19)22(26)25-18(12-31(3,27)28)21-23-16-7-5-6-8-17(16)24-21/h5-11,18H,4,12H2,1-3H3,(H,23,24)(H,25,26) KEBROSDILQVMIR-UHFFFAOYSA-N 50418337 CHEMBL4161601 Smoothened homolog Mus musculus 1100 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418337&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145959437 163367361 ZINC71342064 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101626 Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NC2CCCC2)cc1 InChI=1S/C22H23N3O3S/c1-4-27-14-9-10-19-15(11-14)13(2)20(28-19)22(26)25-18(12-29-3)21-23-16-7-5-6-8-17(16)24-21/h5-11,18H,4,12H2,1-3H3,(H,23,24)(H,25,26)/t18-/m1/s1 HPIAEZYZZHLOTA-GOSISDBHSA-N 50418338 CHEMBL4163487 Smoothened homolog Mus musculus 530 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418338&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 20885876 163367362 ZINC71331027 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101627 Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NC2CCCCC2)cc1 InChI=1S/C22H23N3O3S/c1-4-27-14-9-10-19-15(11-14)13(2)20(28-19)22(26)25-18(12-29-3)21-23-16-7-5-6-8-17(16)24-21/h5-11,18H,4,12H2,1-3H3,(H,23,24)(H,25,26)/t18-/m0/s1 HPIAEZYZZHLOTA-SFHVURJKSA-N 50418339 CHEMBL4168100 Smoothened homolog Mus musculus 660 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418339&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145953652 163367363 ZINC71331653 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101628 Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)N2CCCC2)cc1 InChI=1S/C18H18ClN3OS2/c1-24-9-8-14(22-18(23)16-13(19)7-10-25-16)17-20-11-15(21-17)12-5-3-2-4-6-12/h2-7,10-11,14H,8-9H2,1H3,(H,20,21)(H,22,23) FWDNODOSFRVJDL-UHFFFAOYSA-N 50418340 CHEMBL4176279 Smoothened homolog Mus musculus 4300 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418340&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145973140 163367364 ZINC71341499 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101629 Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)N2CCC(O)C2)cc1 InChI=1S/C21H23N5O3S/c1-4-28-13-5-6-17-14(9-13)12(2)18(29-17)21(27)25-15(7-8-30-3)20-24-16-10-22-11-23-19(16)26-20/h5-6,9-11,15H,4,7-8H2,1-3H3,(H,25,27)(H,22,23,24,26) YRQMVIYITJJIGP-UHFFFAOYSA-N 50418341 CHEMBL4159684 Smoothened homolog Mus musculus 7600 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418341&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145957855 163367365 ZINC71335288 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101630 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)cc1 InChI=1S/C16H16ClN3OS2/c1-22-8-7-13(20-16(21)14-10(17)6-9-23-14)15-18-11-4-2-3-5-12(11)19-15/h2-6,9,13H,7-8H2,1H3,(H,18,19)(H,20,21) JOBQEJLXPYTGGO-UHFFFAOYSA-N 50418347 CHEMBL4167751 Smoothened homolog Mus musculus 47 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418347&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 20885871 163367371 ZINC71340978 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101631 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)cn1 InChI=1S/C18H25N3OS/c1-23-12-11-16(21-18(22)13-7-3-2-4-8-13)17-19-14-9-5-6-10-15(14)20-17/h5-6,9-10,13,16H,2-4,7-8,11-12H2,1H3,(H,19,20)(H,21,22) QCFABUCGHMDLHD-UHFFFAOYSA-N 50418349 CHEMBL4160906 Smoothened homolog Mus musculus 58 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418349&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145963332 163367373 ZINC06016731 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101632 CCNC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)cc1 InChI=1S/C22H28N6OS/c1-3-23-20(29)17-10-13-27(14-11-17)21-25-26-22(30-21)28-12-4-5-19(28)15-24-18-8-6-16(2)7-9-18/h4-9,12,17,24H,3,10-11,13-15H2,1-2H3,(H,23,29) MPTILXYZFCMZHW-UHFFFAOYSA-N 50414479 CHEMBL4171838 Smoothened homolog Mus musculus 5248 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50414479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50414479&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145950937 163363503 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101633 CC(C)NC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)cc1 InChI=1S/C16H17N5OS/c1-23-9-6-13(21-16(22)14-10-17-7-8-18-14)15-19-11-4-2-3-5-12(11)20-15/h2-5,7-8,10,13H,6,9H2,1H3,(H,19,20)(H,21,22) VZHKXQQVXCNJAM-UHFFFAOYSA-N 50418350 CHEMBL1600636 Smoothened homolog Mus musculus 1202 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418350&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 16011265 163367374 ZINC24988886 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101634 Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NC2CC2)cc1 InChI=1S/C17H19N3O2S/c1-11-7-9-22-15(11)17(21)20-14(8-10-23-2)16-18-12-5-3-4-6-13(12)19-16/h3-7,9,14H,8,10H2,1-2H3,(H,18,19)(H,20,21) KTTJSTCZONMQFO-UHFFFAOYSA-N 50418353 CHEMBL4171870 Smoothened homolog Mus musculus 4169 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418353&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 20885873 163367377 ZINC49600758 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101635 Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NCC2CC2)cc1 InChI=1S/C24H30N6OS/c1-17-4-8-20(9-5-17)25-16-21-3-2-12-30(21)24-28-27-23(32-24)29-13-10-19(11-14-29)22(31)26-15-18-6-7-18/h2-5,8-9,12,18-19,25H,6-7,10-11,13-16H2,1H3,(H,26,31) SSSCMBMMNBOAGG-UHFFFAOYSA-N 50414486 CHEMBL4173721 Smoothened homolog Mus musculus 1698 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50414486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50414486&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145951647 163363510 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101639 COc1cccc2C3CC(C)(Oc12)N(C(=O)N3)c1cccc(c1)C(=O)N1CCN(CC1)c1ccccc1F InChI=1S/C24H24N2O3/c1-16-10-9-11-17(2)21(16)25-23(28)22(18-12-5-4-6-13-18)26(3)24(29)19-14-7-8-15-20(19)27/h4-15,22,27H,1-3H3,(H,25,28) NKELUWMWZWKVOB-UHFFFAOYSA-N 50418355 CHEMBL4164364 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418355&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 15995252 163367379 ZINC00994940 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101640 Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)cc1Cl InChI=1S/C25H21ClN4O3/c1-14-6-5-7-15(2)20(14)29-23(31)21(16-10-12-17(26)13-11-16)30-25(33)22-24(32)28-19-9-4-3-8-18(19)27-22/h3-13,21H,1-2H3,(H,28,32)(H,29,31)(H,30,33) WGIANXOMUPACJJ-UHFFFAOYSA-N 50418356 CHEMBL4162402 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418356&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 23989063 163367380 ZINC71341037 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101641 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)Cc1ccc(Cl)cc1 InChI=1S/C25H26N2O3/c1-15-9-8-13-19(18(15)4)23(27-24(29)20-12-5-6-14-21(20)28)25(30)26-22-16(2)10-7-11-17(22)3/h5-14,23,28H,1-4H3,(H,26,30)(H,27,29) MIVLRLAUTVRYHU-UHFFFAOYSA-N 50418362 CHEMBL4160963 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418362&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 1932909 163367386 ZINC71333083 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101642 O=C(CSc1nnc(CNC(=O)c2cccs2)n1-c1ccccc1)Nc1nc2ccccc2s1 InChI=1S/C23H21ClN2O3/c1-14-6-5-7-15(2)20(14)25-23(29)21(16-10-12-17(24)13-11-16)26-22(28)18-8-3-4-9-19(18)27/h3-13,21,27H,1-2H3,(H,25,29)(H,26,28) IKUKKMPLIJUADU-UHFFFAOYSA-N 50418363 CHEMBL4171578 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418363&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 3466045 163367387 ZINC04592614 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101643 COc1ccc(cc1)-n1nc(C(=O)NCC(=O)Nc2nc3ccccc3s2)c2ccccc2c1=O InChI=1S/C25H19N5O4S/c1-34-16-12-10-15(11-13-16)30-24(33)18-7-3-2-6-17(18)22(29-30)23(32)26-14-21(31)28-25-27-19-8-4-5-9-20(19)35-25/h2-13H,14H2,1H3,(H,26,32)(H,27,28,31) WIQCGYVBMBZUFG-UHFFFAOYSA-N 50428046 CHEMBL2324271 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50428046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50428046&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 3423912 164156921 CHEMBL2324271 ZINC03660324 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101644 Cc1c(sc2ncn(CC(=O)Nc3cccc(c3)C(F)(F)F)c(=O)c12)C(=O)NC1CCCCC1 InChI=1S/C17H16N2O4S2/c1-8(2)12(16(22)23)19-15(21)13(25-17(19)24)11-9-6-4-5-7-10(9)18(3)14(11)20/h4-8,12H,1-3H3,(H,22,23)/b13-11- ICRQMQBVDGOOFY-QBFSEMIESA-N 50418364 CHEMBL4173111 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418364&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 3256196 163367388 ZINC01235886 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101645 COc1ccc(Cl)cc1NC(=O)c1ccc(cc1)-n1nc(OCc2cccc(F)c2)ccc1=O InChI=1S/C25H19ClFN3O4/c1-33-22-10-7-18(26)14-21(22)28-25(32)17-5-8-20(9-6-17)30-24(31)12-11-23(29-30)34-15-16-3-2-4-19(27)13-16/h2-14H,15H2,1H3,(H,28,32) IIBQPZQVNJDQFR-UHFFFAOYSA-N 50421714 CHEMBL4173440 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421714&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 53062431 164150589 ZINC05129315 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101646 Cc1cccc(CNC(=O)Cc2cccc(c2)N(Cc2ccccc2)C(=O)c2ccc(cc2)C#N)c1 InChI=1S/C12H19NO2S2/c1-7-6-16-10(15)8-11(2,3)17-12(4,5)13(8)9(7)14/h7-8H,6H2,1-5H3 XAOYXMFOFWTGGV-UHFFFAOYSA-N 50421738 CHEMBL4162733 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421738&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 46056729 164150613 ZINC27886733 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101647 CC(C)c1ccc(NC(=O)c2cc(ccc2F)S(=O)(=O)N2CCN(CC2)c2ccccc2F)cc1 InChI=1S/C5H7NO2S/c1-3-5(8)6-2-4(7)9-3/h3H,2H2,1H3,(H,6,8) SKHMYCKSUJUSEE-UHFFFAOYSA-N 50421740 CHEMBL4169997 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421740&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 4408483 164150615 ZINC27878440 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101648 CCC(Sc1nnc2n1ccn(-c1ccc(C)c(C)c1)c2=O)C(=O)Nc1ccccc1C InChI=1S/C9H13NO2S/c1-6-5-13-9(12)7-3-2-4-10(7)8(6)11/h6-7H,2-5H2,1H3/t6-,7+/m1/s1 JVPVQBQELZYSHH-RQJHMYQMSA-N 50421741 CHEMBL4159358 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421741&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 50806172 164150616 ZINC27886707 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101649 CN(C(=O)Cn1c2ccsc2c(=O)n(CCCC(=O)NCc2ccccc2)c1=O)c1ccccc1 InChI=1S/C11H17NO2S/c1-8-7-15-10(13)6-12(11(8)14)9-4-2-3-5-9/h8-9H,2-7H2,1H3 AYSALTYZLDDUNG-UHFFFAOYSA-N 50421742 CHEMBL4174490 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421742&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 18592451 164150617 ZINC27883801 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51101650 Fc1ccc(cc1)N1C(=O)CC(NC2CCN(CC2)c2ccc(cn2)C(F)(F)F)C1=O InChI=1S/C12H13NO2S/c1-8-3-5-10(6-4-8)13-7-11(14)16-9(2)12(13)15/h3-6,9H,7H2,1-2H3 SZFMDGRCXDEKOK-UHFFFAOYSA-N 50421743 CHEMBL4163132 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2018.05.035 10.7270/Q2BV7K6Q 29857275 Lu, W; Zhang, D; Ma, H; Tian, S; Zheng, J; Wang, Q; Luo, L; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421743&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 5299952 164150618 ZINC27890451 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51144061 COc1cc(OC)c2c(c1)occ(-c1ccc(OCC=C(C)C)c(OC)c1)c2=O InChI=1S/C23H24O6/c1-14(2)8-9-28-18-7-6-15(10-19(18)26-4)17-13-29-21-12-16(25-3)11-20(27-5)22(21)23(17)24/h6-8,10-13H,9H2,1-5H3 ZMHPYTBAMHMURX-UHFFFAOYSA-N 50468706 CHEMBL4279181 Smoothened homolog Mus musculus 6970 ChEMBL 10.1016/j.ejmech.2018.07.017 10.7270/Q2HD7ZB4 30025349 Berardozzi, S; Bernardi, F; Infante, P; Ingallina, C; Toscano, S; De Paolis, E; Alfonsi, R; Caimano, M; Botta, B; Mori, M; Di Marcotullio, L; Ghirga, F Sapienza University of Rome http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468706&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 87057453 433935971 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51144063 COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OC\C=C(/C)CCC=C(C)C)c1)c2=O InChI=1S/C28H32O6/c1-18(2)8-7-9-19(3)12-13-33-24-14-20(10-11-23(24)31-5)22-17-34-26-16-21(30-4)15-25(32-6)27(26)28(22)29/h8,10-12,14-17H,7,9,13H2,1-6H3/b19-12+ JQZUGRQYFYQMCE-XDHOZWIPSA-N 50468708 CHEMBL4291101 Smoothened homolog Mus musculus 3610 ChEMBL 10.1016/j.ejmech.2018.07.017 10.7270/Q2HD7ZB4 30025349 Berardozzi, S; Bernardi, F; Infante, P; Ingallina, C; Toscano, S; De Paolis, E; Alfonsi, R; Caimano, M; Botta, B; Mori, M; Di Marcotullio, L; Ghirga, F Sapienza University of Rome http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468708&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 87057365 433935973 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51144064 COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCC=C(C)C)c1)c2=O InChI=1S/C23H24O6/c1-14(2)8-9-28-19-10-15(6-7-18(19)26-4)17-13-29-21-12-16(25-3)11-20(27-5)22(21)23(17)24/h6-8,10-13H,9H2,1-5H3 QXVUIAMAXDDBME-UHFFFAOYSA-N 50468709 CHEMBL4285647 Smoothened homolog Mus musculus 2870 ChEMBL 10.1016/j.ejmech.2018.07.017 10.7270/Q2HD7ZB4 30025349 Berardozzi, S; Bernardi, F; Infante, P; Ingallina, C; Toscano, S; De Paolis, E; Alfonsi, R; Caimano, M; Botta, B; Mori, M; Di Marcotullio, L; Ghirga, F Sapienza University of Rome http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468709&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 87057363 433935974 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51144065 COc1cc(OC)c2c(c1)occ(-c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)c2=O InChI=1S/C31H26O6/c1-33-24-16-28(34-2)30-29(17-24)37-20-25(31(30)32)23-13-14-26(35-18-21-9-5-3-6-10-21)27(15-23)36-19-22-11-7-4-8-12-22/h3-17,20H,18-19H2,1-2H3 WARRWOYPGIDNCX-UHFFFAOYSA-N 50468707 CHEMBL4290935 Smoothened homolog Mus musculus 290 ChEMBL 10.1016/j.ejmech.2018.07.017 10.7270/Q2HD7ZB4 30025349 Berardozzi, S; Bernardi, F; Infante, P; Ingallina, C; Toscano, S; De Paolis, E; Alfonsi, R; Caimano, M; Botta, B; Mori, M; Di Marcotullio, L; Ghirga, F Sapienza University of Rome http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468707&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145987822 433935972 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51144067 COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccccc3)c1)c2=O InChI=1S/C25H22O6/c1-27-18-12-22(29-3)24-23(13-18)31-15-19(25(24)26)17-9-10-20(28-2)21(11-17)30-14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3 VNYBXAZEXRJNFZ-UHFFFAOYSA-N 50468711 CHEMBL4286606 Smoothened homolog Mus musculus 3719 ChEMBL 10.1016/j.ejmech.2018.07.017 10.7270/Q2HD7ZB4 30025349 Berardozzi, S; Bernardi, F; Infante, P; Ingallina, C; Toscano, S; De Paolis, E; Alfonsi, R; Caimano, M; Botta, B; Mori, M; Di Marcotullio, L; Ghirga, F Sapienza University of Rome http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468711&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 87057364 433935976 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51144068 COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccc(cc3)C#N)c1)c2=O InChI=1S/C26H21NO6/c1-29-19-11-23(31-3)25-24(12-19)33-15-20(26(25)28)18-8-9-21(30-2)22(10-18)32-14-17-6-4-16(13-27)5-7-17/h4-12,15H,14H2,1-3H3 FKPDPKCAEVVAMM-UHFFFAOYSA-N 50468712 CHEMBL4279361 Smoothened homolog Mus musculus 16000 ChEMBL 10.1016/j.ejmech.2018.07.017 10.7270/Q2HD7ZB4 30025349 Berardozzi, S; Bernardi, F; Infante, P; Ingallina, C; Toscano, S; De Paolis, E; Alfonsi, R; Caimano, M; Botta, B; Mori, M; Di Marcotullio, L; Ghirga, F Sapienza University of Rome http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468712&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145981671 433935977 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51144069 COC(=O)c1ccc(COc2cc(ccc2OC)-c2coc3cc(OC)cc(OC)c3c2=O)cc1 InChI=1S/C27H24O8/c1-30-19-12-23(32-3)25-24(13-19)35-15-20(26(25)28)18-9-10-21(31-2)22(11-18)34-14-16-5-7-17(8-6-16)27(29)33-4/h5-13,15H,14H2,1-4H3 PCDSCDGOYDXOKZ-UHFFFAOYSA-N 50468713 CHEMBL4293424 Smoothened homolog Mus musculus >30000 ChEMBL 10.1016/j.ejmech.2018.07.017 10.7270/Q2HD7ZB4 30025349 Berardozzi, S; Bernardi, F; Infante, P; Ingallina, C; Toscano, S; De Paolis, E; Alfonsi, R; Caimano, M; Botta, B; Mori, M; Di Marcotullio, L; Ghirga, F Sapienza University of Rome http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468713&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145988363 433935978 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51144070 COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccc(cc3)C(N)=O)c1)c2=O InChI=1S/C26H23NO7/c1-30-18-11-22(32-3)24-23(12-18)34-14-19(25(24)28)17-8-9-20(31-2)21(10-17)33-13-15-4-6-16(7-5-15)26(27)29/h4-12,14H,13H2,1-3H3,(H2,27,29) GUXCHPGOCLSSAO-UHFFFAOYSA-N 50468714 CHEMBL4282816 Smoothened homolog Mus musculus >30000 ChEMBL 10.1016/j.ejmech.2018.07.017 10.7270/Q2HD7ZB4 30025349 Berardozzi, S; Bernardi, F; Infante, P; Ingallina, C; Toscano, S; De Paolis, E; Alfonsi, R; Caimano, M; Botta, B; Mori, M; Di Marcotullio, L; Ghirga, F Sapienza University of Rome http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468714&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145982025 433935979 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51144071 COc1cc(OC)c2c(c1)occ(-c1cccc(OCC=C(C)C)c1)c2=O InChI=1S/C22H22O5/c1-14(2)8-9-26-16-7-5-6-15(10-16)18-13-27-20-12-17(24-3)11-19(25-4)21(20)22(18)23/h5-8,10-13H,9H2,1-4H3 JJLHMOUQSWAENM-UHFFFAOYSA-N 50468710 CHEMBL4281758 Smoothened homolog Mus musculus >30000 ChEMBL 10.1016/j.ejmech.2018.07.017 10.7270/Q2HD7ZB4 30025349 Berardozzi, S; Bernardi, F; Infante, P; Ingallina, C; Toscano, S; De Paolis, E; Alfonsi, R; Caimano, M; Botta, B; Mori, M; Di Marcotullio, L; Ghirga, F Sapienza University of Rome http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468710&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145979942 433935975 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51144072 COc1cc(OC)c2c(c1)occ(-c1ccc(OCc3ccccc3)c(OC)c1)c2=O InChI=1S/C25H22O6/c1-27-18-12-22(29-3)24-23(13-18)31-15-19(25(24)26)17-9-10-20(21(11-17)28-2)30-14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3 XPYARVYNUNOZLN-UHFFFAOYSA-N 50468715 CHEMBL4289866 Smoothened homolog Mus musculus 6921 ChEMBL 10.1016/j.ejmech.2018.07.017 10.7270/Q2HD7ZB4 30025349 Berardozzi, S; Bernardi, F; Infante, P; Ingallina, C; Toscano, S; De Paolis, E; Alfonsi, R; Caimano, M; Botta, B; Mori, M; Di Marcotullio, L; Ghirga, F Sapienza University of Rome http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468715&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 87057451 433935980 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51144079 COc1cc(OC)c2c(c1)occ(-c1cccc(OCc3ccc(cc3)C(F)(F)F)c1)c2=O InChI=1S/C25H19F3O5/c1-30-19-11-21(31-2)23-22(12-19)33-14-20(24(23)29)16-4-3-5-18(10-16)32-13-15-6-8-17(9-7-15)25(26,27)28/h3-12,14H,13H2,1-2H3 FSAZJPSATPWAAX-UHFFFAOYSA-N 50468716 CHEMBL4289632 Smoothened homolog Mus musculus 10470 ChEMBL 10.1016/j.ejmech.2018.07.017 10.7270/Q2HD7ZB4 30025349 Berardozzi, S; Bernardi, F; Infante, P; Ingallina, C; Toscano, S; De Paolis, E; Alfonsi, R; Caimano, M; Botta, B; Mori, M; Di Marcotullio, L; Ghirga, F Sapienza University of Rome http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468716&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145989297 433935981 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51144080 COc1cc(OC)c2c(c1)occ(-c1cccc(O)c1)c2=O InChI=1S/C17H14O5/c1-20-12-7-14(21-2)16-15(8-12)22-9-13(17(16)19)10-4-3-5-11(18)6-10/h3-9,18H,1-2H3 IORATGJSLJJRON-UHFFFAOYSA-N 50468717 CHEMBL4286204 Smoothened homolog Mus musculus >30000 ChEMBL 10.1016/j.ejmech.2018.07.017 10.7270/Q2HD7ZB4 30025349 Berardozzi, S; Bernardi, F; Infante, P; Ingallina, C; Toscano, S; De Paolis, E; Alfonsi, R; Caimano, M; Botta, B; Mori, M; Di Marcotullio, L; Ghirga, F Sapienza University of Rome http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468717&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145990425 433935982 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51144081 COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccc(cc3)C(F)(F)F)c1)c2=O InChI=1S/C26H21F3O6/c1-31-18-11-22(33-3)24-23(12-18)35-14-19(25(24)30)16-6-9-20(32-2)21(10-16)34-13-15-4-7-17(8-5-15)26(27,28)29/h4-12,14H,13H2,1-3H3 APASMGLCIZNUTG-UHFFFAOYSA-N 50468718 CHEMBL4290044 Smoothened homolog Mus musculus 2580 ChEMBL 10.1016/j.ejmech.2018.07.017 10.7270/Q2HD7ZB4 30025349 Berardozzi, S; Bernardi, F; Infante, P; Ingallina, C; Toscano, S; De Paolis, E; Alfonsi, R; Caimano, M; Botta, B; Mori, M; Di Marcotullio, L; Ghirga, F Sapienza University of Rome http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468718&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 87057449 433935983 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51144082 COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccc(cc3)[N+]([O-])=O)c1)c2=O InChI=1S/C25H21NO8/c1-30-18-11-22(32-3)24-23(12-18)34-14-19(25(24)27)16-6-9-20(31-2)21(10-16)33-13-15-4-7-17(8-5-15)26(28)29/h4-12,14H,13H2,1-3H3 FSOITKNQYQNQDV-UHFFFAOYSA-N 50468719 CHEMBL4278297 Smoothened homolog Mus musculus >30000 ChEMBL 10.1016/j.ejmech.2018.07.017 10.7270/Q2HD7ZB4 30025349 Berardozzi, S; Bernardi, F; Infante, P; Ingallina, C; Toscano, S; De Paolis, E; Alfonsi, R; Caimano, M; Botta, B; Mori, M; Di Marcotullio, L; Ghirga, F Sapienza University of Rome http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468719&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 145980489 433935984 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51144083 COc1cc(OC)c2c(c1)occ(-c1ccc(OCc3ccc(cc3)C(F)(F)F)c(OC)c1)c2=O InChI=1S/C26H21F3O6/c1-31-18-11-22(33-3)24-23(12-18)35-14-19(25(24)30)16-6-9-20(21(10-16)32-2)34-13-15-4-7-17(8-5-15)26(27,28)29/h4-12,14H,13H2,1-3H3 GVPUUCMDVZFUHY-UHFFFAOYSA-N 50468720 CHEMBL4293248 Smoothened homolog Mus musculus 3477 ChEMBL 10.1016/j.ejmech.2018.07.017 10.7270/Q2HD7ZB4 30025349 Berardozzi, S; Bernardi, F; Infante, P; Ingallina, C; Toscano, S; De Paolis, E; Alfonsi, R; Caimano, M; Botta, B; Mori, M; Di Marcotullio, L; Ghirga, F Sapienza University of Rome http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468720&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 87057452 433935985 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279869 C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccccc3O)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C34H33Cl2N3O5/c1-34(30-15-6-23(35)20-31(30)36)43-22-28(44-34)21-42-27-13-11-26(12-14-27)39-18-16-38(17-19-39)25-9-7-24(8-10-25)37-33(41)29-4-2-3-5-32(29)40/h2-15,20,28,40H,16-19,21-22H2,1H3,(H,37,41)/t28-,34-/m1/s1 PDECSLMLDDIEBN-XQJOSWFISA-N 50522371 CHEMBL4565311 Smoothened homolog Mus musculus >10000 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522371&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521229 440730953 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279870 C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(cc2)-n2cn[nH]c2=O)O1)c1ccc(Cl)cc1Cl InChI=1S/C29H29Cl2N5O4/c1-29(26-11-2-20(30)16-27(26)31)39-18-25(40-29)17-38-24-9-7-22(8-10-24)35-14-12-34(13-15-35)21-3-5-23(6-4-21)36-19-32-33-28(36)37/h2-11,16,19,25H,12-15,17-18H2,1H3,(H,33,37)/t25-,29+/m1/s1 YHGHBAXLVHCABI-IRPSRAIASA-N 50522372 CHEMBL4473575 Smoothened homolog Mus musculus 210 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522372&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521019 440730954 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279871 C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3cccnc3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C33H32Cl2N4O4/c1-33(30-13-4-24(34)19-31(30)35)42-22-29(43-33)21-41-28-11-9-27(10-12-28)39-17-15-38(16-18-39)26-7-5-25(6-8-26)37-32(40)23-3-2-14-36-20-23/h2-14,19-20,29H,15-18,21-22H2,1H3,(H,37,40)/t29-,33+/m1/s1 AOCSOWXEGDBAIH-CPBHLAHYSA-N 50522373 CHEMBL4472335 Smoothened homolog Mus musculus 190 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522373&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521038 440730955 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279872 C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(N)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C27H29Cl2N3O3/c1-27(25-11-2-19(28)16-26(25)29)34-18-24(35-27)17-33-23-9-7-22(8-10-23)32-14-12-31(13-15-32)21-5-3-20(30)4-6-21/h2-11,16,24H,12-15,17-18,30H2,1H3/t24-,27-/m1/s1 OKOUKECKRSIQIW-SHQCIBLASA-N 50522374 CHEMBL4471156 Smoothened homolog Mus musculus 920 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522374&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521075 440730956 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279873 C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccccn3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C33H32Cl2N4O4/c1-33(29-14-5-23(34)20-30(29)35)42-22-28(43-33)21-41-27-12-10-26(11-13-27)39-18-16-38(17-19-39)25-8-6-24(7-9-25)37-32(40)31-4-2-3-15-36-31/h2-15,20,28H,16-19,21-22H2,1H3,(H,37,40)/t28-,33+/m1/s1 GSBOYBYJCZLGGK-YDYNHKSESA-N 50522375 CHEMBL4473720 Smoothened homolog Mus musculus 3900 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522375&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521197 440730957 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279874 C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccncc3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C33H32Cl2N4O4/c1-33(30-11-2-24(34)20-31(30)35)42-22-29(43-33)21-41-28-9-7-27(8-10-28)39-18-16-38(17-19-39)26-5-3-25(4-6-26)37-32(40)23-12-14-36-15-13-23/h2-15,20,29H,16-19,21-22H2,1H3,(H,37,40)/t29-,33-/m1/s1 RXGZJXFXMGQUDJ-CYTLCNBWSA-N 50522376 CHEMBL4448878 Smoothened homolog Mus musculus >10000 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522376&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521053 440730958 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279875 C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3cccnc3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C33H32Cl2N4O4/c1-33(30-13-4-24(34)19-31(30)35)42-22-29(43-33)21-41-28-11-9-27(10-12-28)39-17-15-38(16-18-39)26-7-5-25(6-8-26)37-32(40)23-3-2-14-36-20-23/h2-14,19-20,29H,15-18,21-22H2,1H3,(H,37,40)/t29-,33-/m1/s1 AOCSOWXEGDBAIH-CYTLCNBWSA-N 50522377 CHEMBL4571341 Smoothened homolog Mus musculus 4300 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522377&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521236 440730959 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279876 C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccccn3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C33H32Cl2N4O4/c1-33(29-14-5-23(34)20-30(29)35)42-22-28(43-33)21-41-27-12-10-26(11-13-27)39-18-16-38(17-19-39)25-8-6-24(7-9-25)37-32(40)31-4-2-3-15-36-31/h2-15,20,28H,16-19,21-22H2,1H3,(H,37,40)/t28-,33-/m1/s1 GSBOYBYJCZLGGK-LHXZUMEBSA-N 50522378 CHEMBL4464304 Smoothened homolog Mus musculus >10000 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522378&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521187 440730960 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279877 C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(N)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C27H29Cl2N3O3/c1-27(25-11-2-19(28)16-26(25)29)34-18-24(35-27)17-33-23-9-7-22(8-10-23)32-14-12-31(13-15-32)21-5-3-20(30)4-6-21/h2-11,16,24H,12-15,17-18,30H2,1H3/t24-,27+/m1/s1 OKOUKECKRSIQIW-SQHAQQRYSA-N 50522379 CHEMBL4583477 Smoothened homolog Mus musculus 390 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522379&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521179 440730961 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279878 C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)O1)c1ccc(Cl)cc1Cl InChI=1S/C27H27Cl2N3O5/c1-27(25-11-2-19(28)16-26(25)29)36-18-24(37-27)17-35-23-9-7-21(8-10-23)31-14-12-30(13-15-31)20-3-5-22(6-4-20)32(33)34/h2-11,16,24H,12-15,17-18H2,1H3/t24-,27+/m1/s1 KSBHDSLUZJLXIN-SQHAQQRYSA-N 50522380 CHEMBL4562519 Smoothened homolog Mus musculus 260 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522380&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521208 440730962 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279879 C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccsc3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C32H31Cl2N3O4S/c1-32(29-11-2-23(33)18-30(29)34)40-20-28(41-32)19-39-27-9-7-26(8-10-27)37-15-13-36(14-16-37)25-5-3-24(4-6-25)35-31(38)22-12-17-42-21-22/h2-12,17-18,21,28H,13-16,19-20H2,1H3,(H,35,38)/t28-,32+/m1/s1 ARNVLGVFTIJNRD-NSJVFKKDSA-N 50522381 CHEMBL4466705 Smoothened homolog Mus musculus >10000 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522381&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521047 440730963 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279880 CC(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](C)(O2)c2ccc(Cl)cc2Cl)cc1 InChI=1S/C36H35Cl2N3O5/c1-24(42)25-4-3-5-26(20-25)35(43)39-28-7-9-29(10-8-28)40-16-18-41(19-17-40)30-11-13-31(14-12-30)44-22-32-23-45-36(2,46-32)33-15-6-27(37)21-34(33)38/h3-15,20-21,32H,16-19,22-23H2,1-2H3,(H,39,43)/t32-,36+/m1/s1 CZRAKZRYPDKNPT-KUFVUHJUSA-N 50522382 CHEMBL4450586 Smoothened homolog Mus musculus 89 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522382&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521007 440730964 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279881 C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C34H32Cl3N3O4/c1-34(31-14-5-25(36)20-32(31)37)43-22-30(44-34)21-42-29-12-10-28(11-13-29)40-17-15-39(16-18-40)27-8-6-26(7-9-27)38-33(41)23-3-2-4-24(35)19-23/h2-14,19-20,30H,15-18,21-22H2,1H3,(H,38,41)/t30-,34+/m1/s1 BYGHNVRMXYPYSY-HKFHRXRESA-N 50522383 CHEMBL4556073 Smoothened homolog Mus musculus >10000 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522383&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521263 440730965 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279882 C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccc(O)cc3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C34H33Cl2N3O5/c1-34(31-15-4-24(35)20-32(31)36)43-22-30(44-34)21-42-29-13-9-27(10-14-29)39-18-16-38(17-19-39)26-7-5-25(6-8-26)37-33(41)23-2-11-28(40)12-3-23/h2-15,20,30,40H,16-19,21-22H2,1H3,(H,37,41)/t30-,34-/m1/s1 VXYMGTXJZUKBEL-KAODMTDESA-N 50522384 CHEMBL4561378 Smoothened homolog Mus musculus >10000 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522384&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521221 440730966 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279883 C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccccc3O)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C34H33Cl2N3O5/c1-34(30-15-6-23(35)20-31(30)36)43-22-28(44-34)21-42-27-13-11-26(12-14-27)39-18-16-38(17-19-39)25-9-7-24(8-10-25)37-33(41)29-4-2-3-5-32(29)40/h2-15,20,28,40H,16-19,21-22H2,1H3,(H,37,41)/t28-,34+/m1/s1 PDECSLMLDDIEBN-MYVCOICNSA-N 50522385 CHEMBL4455409 Smoothened homolog Mus musculus 2200 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522385&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521159 440730967 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279884 C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccc(O)cc3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C34H33Cl2N3O5/c1-34(31-15-4-24(35)20-32(31)36)43-22-30(44-34)21-42-29-13-9-27(10-14-29)39-18-16-38(17-19-39)26-7-5-25(6-8-26)37-33(41)23-2-11-28(40)12-3-23/h2-15,20,30,40H,16-19,21-22H2,1H3,(H,37,41)/t30-,34+/m1/s1 VXYMGTXJZUKBEL-HKFHRXRESA-N 50522386 CHEMBL4543531 Smoothened homolog Mus musculus 3000 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522386&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521242 440730968 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279885 C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)Oc3ccccc3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C34H33Cl2N3O5/c1-34(31-16-7-24(35)21-32(31)36)42-23-30(44-34)22-41-28-14-12-27(13-15-28)39-19-17-38(18-20-39)26-10-8-25(9-11-26)37-33(40)43-29-5-3-2-4-6-29/h2-16,21,30H,17-20,22-23H2,1H3,(H,37,40)/t30-,34-/m1/s1 FDZCPPVPOCCHSI-KAODMTDESA-N 50522387 CHEMBL4538569 Smoothened homolog Mus musculus >10000 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522387&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155549270 440730969 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279886 C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)Oc3ccccc3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C34H33Cl2N3O5/c1-34(31-16-7-24(35)21-32(31)36)42-23-30(44-34)22-41-28-14-12-27(13-15-28)39-19-17-38(18-20-39)26-10-8-25(9-11-26)37-33(40)43-29-5-3-2-4-6-29/h2-16,21,30H,17-20,22-23H2,1H3,(H,37,40)/t30-,34+/m1/s1 FDZCPPVPOCCHSI-HKFHRXRESA-N 50522388 CHEMBL4447193 Smoothened homolog Mus musculus >10000 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522388&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155519033 440730970 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279887 C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccccc3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C34H33Cl2N3O4/c1-34(31-16-7-25(35)21-32(31)36)42-23-30(43-34)22-41-29-14-12-28(13-15-29)39-19-17-38(18-20-39)27-10-8-26(9-11-27)37-33(40)24-5-3-2-4-6-24/h2-16,21,30H,17-20,22-23H2,1H3,(H,37,40)/t30-,34+/m1/s1 IQHGTZZYPQNIJU-HKFHRXRESA-N 50522389 CHEMBL4438128 Smoothened homolog Mus musculus >10000 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522389&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521241 440730971 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279888 C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccccc3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C34H33Cl2N3O4/c1-34(31-16-7-25(35)21-32(31)36)42-23-30(43-34)22-41-29-14-12-28(13-15-29)39-19-17-38(18-20-39)27-10-8-26(9-11-27)37-33(40)24-5-3-2-4-6-24/h2-16,21,30H,17-20,22-23H2,1H3,(H,37,40)/t30-,34-/m1/s1 IQHGTZZYPQNIJU-KAODMTDESA-N 50522390 CHEMBL4561019 Smoothened homolog Mus musculus >10000 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522390&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521037 440730972 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279889 C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)O1)c1ccc(Cl)cc1Cl InChI=1S/C27H27Cl2N3O5/c1-27(25-11-2-19(28)16-26(25)29)36-18-24(37-27)17-35-23-9-7-21(8-10-23)31-14-12-30(13-15-31)20-3-5-22(6-4-20)32(33)34/h2-11,16,24H,12-15,17-18H2,1H3/t24-,27-/m1/s1 KSBHDSLUZJLXIN-SHQCIBLASA-N 50522391 CHEMBL4462158 Smoothened homolog Mus musculus 310 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522391&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521219 440730973 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279890 C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccncc3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C33H32Cl2N4O4/c1-33(30-11-2-24(34)20-31(30)35)42-22-29(43-33)21-41-28-9-7-27(8-10-28)39-18-16-38(17-19-39)26-5-3-25(4-6-26)37-32(40)23-12-14-36-15-13-23/h2-15,20,29H,16-19,21-22H2,1H3,(H,37,40)/t29-,33+/m1/s1 RXGZJXFXMGQUDJ-CPBHLAHYSA-N 50522392 CHEMBL4530520 Smoothened homolog Mus musculus >10000 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522392&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521063 440730974 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279891 C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3cccc(O)c3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C34H33Cl2N3O5/c1-34(31-14-5-24(35)20-32(31)36)43-22-30(44-34)21-42-29-12-10-27(11-13-29)39-17-15-38(16-18-39)26-8-6-25(7-9-26)37-33(41)23-3-2-4-28(40)19-23/h2-14,19-20,30,40H,15-18,21-22H2,1H3,(H,37,41)/t30-,34+/m1/s1 BHQZXBHEQADRKL-HKFHRXRESA-N 50522393 CHEMBL4572598 Smoothened homolog Mus musculus 160 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522393&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521150 440730975 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279892 C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)NN)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C28H31Cl2N5O4/c1-28(25-11-2-19(29)16-26(25)30)38-18-24(39-28)17-37-23-9-7-22(8-10-23)35-14-12-34(13-15-35)21-5-3-20(4-6-21)32-27(36)33-31/h2-11,16,24H,12-15,17-18,31H2,1H3,(H2,32,33,36)/t24-,28+/m1/s1 IOWOXOWWWSDVKI-YWEHKCAJSA-N 50522394 CHEMBL4472296 Smoothened homolog Mus musculus 9.0 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522394&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521227 440730976 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279893 C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C38H35Cl2N3O4/c1-38(35-17-8-29(39)23-36(35)40)46-25-34(47-38)24-45-33-15-13-32(14-16-33)43-20-18-42(19-21-43)31-11-9-30(10-12-31)41-37(44)28-7-6-26-4-2-3-5-27(26)22-28/h2-17,22-23,34H,18-21,24-25H2,1H3,(H,41,44)/t34-,38-/m1/s1 XAJSCYUOMNHTBK-MMEOBGCCSA-N 50522395 CHEMBL4553424 Smoothened homolog Mus musculus >10000 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522395&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521216 440730977 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279894 C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3cccc(O)c3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C34H33Cl2N3O5/c1-34(31-14-5-24(35)20-32(31)36)43-22-30(44-34)21-42-29-12-10-27(11-13-29)39-17-15-38(16-18-39)26-8-6-25(7-9-26)37-33(41)23-3-2-4-28(40)19-23/h2-14,19-20,30,40H,15-18,21-22H2,1H3,(H,37,41)/t30-,34-/m1/s1 BHQZXBHEQADRKL-KAODMTDESA-N 50522396 CHEMBL4447164 Smoothened homolog Mus musculus 190 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522396&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521167 440730978 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279895 C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)NN)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C28H31Cl2N5O4/c1-28(25-11-2-19(29)16-26(25)30)38-18-24(39-28)17-37-23-9-7-22(8-10-23)35-14-12-34(13-15-35)21-5-3-20(4-6-21)32-27(36)33-31/h2-11,16,24H,12-15,17-18,31H2,1H3,(H2,32,33,36)/t24-,28-/m1/s1 IOWOXOWWWSDVKI-UFHPHHKVSA-N 50522397 CHEMBL4440172 Smoothened homolog Mus musculus 110 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522397&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521201 440730979 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279896 C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C38H35Cl2N3O4/c1-38(35-17-8-29(39)23-36(35)40)46-25-34(47-38)24-45-33-15-13-32(14-16-33)43-20-18-42(19-21-43)31-11-9-30(10-12-31)41-37(44)28-7-6-26-4-2-3-5-27(26)22-28/h2-17,22-23,34H,18-21,24-25H2,1H3,(H,41,44)/t34-,38+/m1/s1 XAJSCYUOMNHTBK-BYYXFNHRSA-N 50522398 CHEMBL4551142 Smoothened homolog Mus musculus >10000 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522398&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521061 440730980 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279897 COc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](C)(O2)c2ccc(Cl)cc2Cl)cc1 InChI=1S/C35H35Cl2N3O5/c1-35(32-15-6-25(36)21-33(32)37)44-23-31(45-35)22-43-29-13-11-28(12-14-29)40-18-16-39(17-19-40)27-9-7-26(8-10-27)38-34(41)24-4-3-5-30(20-24)42-2/h3-15,20-21,31H,16-19,22-23H2,1-2H3,(H,38,41)/t31-,35+/m1/s1 NQRIIPNJULINMV-NQVJXQQZSA-N 50522399 CHEMBL4456292 Smoothened homolog Mus musculus 5700 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522399&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521182 440730981 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279898 C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(cc2)-n2cn[nH]c2=O)O1)c1ccc(Cl)cc1Cl InChI=1S/C29H29Cl2N5O4/c1-29(26-11-2-20(30)16-27(26)31)39-18-25(40-29)17-38-24-9-7-22(8-10-24)35-14-12-34(13-15-35)21-3-5-23(6-4-21)36-19-32-33-28(36)37/h2-11,16,19,25H,12-15,17-18H2,1H3,(H,33,37)/t25-,29-/m1/s1 YHGHBAXLVHCABI-VAVYLYDRSA-N 50522400 CHEMBL4562342 Smoothened homolog Mus musculus 140 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522400&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521126 440730982 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51279899 C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccoc3)cc2)O1)c1ccc(Cl)cc1Cl InChI=1S/C32H31Cl2N3O5/c1-32(29-11-2-23(33)18-30(29)34)41-21-28(42-32)20-40-27-9-7-26(8-10-27)37-15-13-36(14-16-37)25-5-3-24(4-6-25)35-31(38)22-12-17-39-19-22/h2-12,17-19,28H,13-16,20-21H2,1H3,(H,35,38)/t28-,32+/m1/s1 MNDVFPRSHHSFBE-NSJVFKKDSA-N 50522401 CHEMBL4541851 Smoothened homolog Mus musculus >10000 ChEMBL 10.1021/acs.jmedchem.8b01283 10.7270/Q2NC64M9 30896941 Pace, JR; Teske, KA; Chau, LQ; Dash, RC; Zaino, AM; Wechsler-Reya, RJ; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50522401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50522401&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 137521002 440730983 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285750 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ncc(C)cn1 InChI=1S/C24H33N9OS/c1-16-13-25-22(26-14-16)27-15-19-7-10-28-33(19)24-31-30-23(35-24)32-11-8-18(9-12-32)21(34)29-20-6-4-3-5-17(20)2/h7,10,13-14,17-18,20H,3-6,8-9,11-12,15H2,1-2H3,(H,29,34)(H,25,26,27) IUXMLJCZQUGCQV-UHFFFAOYSA-N 50524156 CHEMBL4473275 Smoothened homolog Mus musculus 180 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524156&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155536472 440732738 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285751 Cc1ccc(NCc2ccnn2-c2nnc(s2)N2CCC(CC2)C(=O)Nc2ncccc2C)nc1 InChI=1S/C24H27N9OS/c1-16-5-6-20(26-14-16)27-15-19-7-11-28-33(19)24-31-30-23(35-24)32-12-8-18(9-13-32)22(34)29-21-17(2)4-3-10-25-21/h3-7,10-11,14,18H,8-9,12-13,15H2,1-2H3,(H,26,27)(H,25,29,34) QXSBEBKLAVCCAJ-UHFFFAOYSA-N 50524157 CHEMBL4527095 Smoothened homolog Mus musculus 280 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524157&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155544479 440732739 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285752 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-c1ccnn1C InChI=1S/C19H28N6OS/c1-13-5-3-4-6-15(13)21-17(26)14-8-11-25(12-9-14)19-23-22-18(27-19)16-7-10-20-24(16)2/h7,10,13-15H,3-6,8-9,11-12H2,1-2H3,(H,21,26) BUIWQUHFOKEJCN-UHFFFAOYSA-N 50524158 CHEMBL4535342 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524158&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155547803 440732740 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285753 C[C@H]1CCCC[C@H]1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)cn1 InChI=1S/C25H34N8OS/c1-17-7-8-22(26-15-17)27-16-20-9-12-28-33(20)25-31-30-24(35-25)32-13-10-19(11-14-32)23(34)29-21-6-4-3-5-18(21)2/h7-9,12,15,18-19,21H,3-6,10-11,13-14,16H2,1-2H3,(H,26,27)(H,29,34)/t18-,21+/m0/s1 FUGSGMMXUVQDOY-GHTZIAJQSA-N 50524159 CHEMBL4567678 Smoothened homolog Mus musculus 8.4 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524159&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155560589 440732741 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285754 C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)cn1 InChI=1S/C25H34N8OS/c1-17-7-8-22(26-15-17)27-16-20-9-12-28-33(20)25-31-30-24(35-25)32-13-10-19(11-14-32)23(34)29-21-6-4-3-5-18(21)2/h7-9,12,15,18-19,21H,3-6,10-11,13-14,16H2,1-2H3,(H,26,27)(H,29,34)/t18-,21+/m1/s1 FUGSGMMXUVQDOY-NQIIRXRSSA-N 50524160 CHEMBL4441529 Smoothened homolog Mus musculus 7.1 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524160&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155515209 440732742 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285755 Cc1ccc(NCc2ccnn2-c2nnc(s2)N2CCC(CC2)C(=O)Nc2ccncc2C)nc1 InChI=1S/C24H27N9OS/c1-16-3-4-21(26-13-16)27-15-19-5-10-28-33(19)24-31-30-23(35-24)32-11-7-18(8-12-32)22(34)29-20-6-9-25-14-17(20)2/h3-6,9-10,13-14,18H,7-8,11-12,15H2,1-2H3,(H,26,27)(H,25,29,34) CKJUFGPGZORPDY-UHFFFAOYSA-N 50524161 CHEMBL4525451 Smoothened homolog Mus musculus 220 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524161&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155543109 440732743 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285756 Cc1ccc(NCc2ccnn2-c2nnc(s2)N2CCC(CC2)C(=O)Nc2cccnc2C)nc1 InChI=1S/C24H27N9OS/c1-16-5-6-21(26-14-16)27-15-19-7-11-28-33(19)24-31-30-23(35-24)32-12-8-18(9-13-32)22(34)29-20-4-3-10-25-17(20)2/h3-7,10-11,14,18H,8-9,12-13,15H2,1-2H3,(H,26,27)(H,29,34) DXAPNAWHLHNXPW-UHFFFAOYSA-N 50524162 CHEMBL4452315 Smoothened homolog Mus musculus 460 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524162&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155523014 440732744 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285757 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-c1cnn(C)c1CNc1ccc(C)cn1 InChI=1S/C26H36N8OS/c1-17-8-9-23(27-14-17)28-16-22-20(15-29-33(22)3)25-31-32-26(36-25)34-12-10-19(11-13-34)24(35)30-21-7-5-4-6-18(21)2/h8-9,14-15,18-19,21H,4-7,10-13,16H2,1-3H3,(H,27,28)(H,30,35) FJGFWLNGWOUFRZ-UHFFFAOYSA-N 50524163 CHEMBL4474558 Smoothened homolog Mus musculus 1800 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524163&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155537273 440732745 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285758 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1cccn1 InChI=1S/C18H26N6OS/c1-13-5-2-3-6-15(13)20-16(25)14-7-11-23(12-8-14)17-21-22-18(26-17)24-10-4-9-19-24/h4,9-10,13-15H,2-3,5-8,11-12H2,1H3,(H,20,25) FDVRGUKZYCSFRL-UHFFFAOYSA-N 50524164 CHEMBL4572227 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524164&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155563208 440732746 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285759 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24) BPQMGSKTAYIVFO-UHFFFAOYSA-N 50249522 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide::CHEMBL473417::VISMODEGIB Smoothened homolog Mus musculus 46 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249522&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search VIS 8HJE,5L7I 24776445 104103799 66903 CHEMBL473417 DB08828 6975 ZINC40899447 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285760 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)cc1 InChI=1S/C16H16ClN3OS2/c1-22-8-7-13(20-16(21)14-10(17)6-9-23-14)15-18-11-4-2-3-5-12(11)19-15/h2-6,9,13H,7-8H2,1H3,(H,18,19)(H,20,21) JOBQEJLXPYTGGO-UHFFFAOYSA-N 50418347 CHEMBL4167751 Smoothened homolog Mus musculus 47 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418347&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 20885871 163367371 ZINC71340978 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285763 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CCc1ccc(C)cn1 InChI=1S/C26H35N7OS/c1-18-7-8-21(27-17-18)9-10-22-11-14-28-33(22)26-31-30-25(35-26)32-15-12-20(13-16-32)24(34)29-23-6-4-3-5-19(23)2/h7-8,11,14,17,19-20,23H,3-6,9-10,12-13,15-16H2,1-2H3,(H,29,34) JYZNZGFWMZHQSU-UHFFFAOYSA-N 50524165 CHEMBL4437383 Smoothened homolog Mus musculus 57 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524165&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155512546 440732747 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285764 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1cnc(C)cn1 InChI=1S/C24H33N9OS/c1-16-5-3-4-6-20(16)29-22(34)18-8-11-32(12-9-18)23-30-31-24(35-23)33-19(7-10-28-33)14-27-21-15-25-17(2)13-26-21/h7,10,13,15-16,18,20H,3-6,8-9,11-12,14H2,1-2H3,(H,26,27)(H,29,34) XCPCXJRSRKPYJT-UHFFFAOYSA-N 50524166 CHEMBL4513409 Smoothened homolog Mus musculus 410 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524166&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155538962 440732748 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285765 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1cccnc1 InChI=1S/C24H32N8OS/c1-17-5-2-3-7-21(17)28-22(33)18-9-13-31(14-10-18)23-29-30-24(34-23)32-20(8-12-27-32)16-26-19-6-4-11-25-15-19/h4,6,8,11-12,15,17-18,21,26H,2-3,5,7,9-10,13-14,16H2,1H3,(H,28,33) DCASIUSCLHNNMF-UHFFFAOYSA-N 50524167 CHEMBL4593367 Smoothened homolog Mus musculus 69 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524167&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155568965 440732749 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285766 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)cn1 InChI=1S/C25H34N8OS/c1-17-7-8-22(26-15-17)27-16-20-9-12-28-33(20)25-31-30-24(35-25)32-13-10-19(11-14-32)23(34)29-21-6-4-3-5-18(21)2/h7-9,12,15,18-19,21H,3-6,10-11,13-14,16H2,1-2H3,(H,26,27)(H,29,34) FUGSGMMXUVQDOY-UHFFFAOYSA-N 50524168 CHEMBL4441310 Smoothened homolog Mus musculus 7.1 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524168&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155515124 440732750 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285767 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)nc1 InChI=1S/C25H34N8OS/c1-17-5-3-4-6-22(17)29-23(34)19-10-13-32(14-11-19)24-30-31-25(35-24)33-21(9-12-28-33)16-27-20-8-7-18(2)26-15-20/h7-9,12,15,17,19,22,27H,3-6,10-11,13-14,16H2,1-2H3,(H,29,34) NFHIMSQYKJQBFK-UHFFFAOYSA-N 50524169 CHEMBL4558043 Smoothened homolog Mus musculus 51 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524169&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155554445 440732751 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285768 CC(O)c1ccnn1-c1nnc(s1)N1CCC(CC1)C(=O)NC1CCCCC1C InChI=1S/C20H30N6O2S/c1-13-5-3-4-6-16(13)22-18(28)15-8-11-25(12-9-15)19-23-24-20(29-19)26-17(14(2)27)7-10-21-26/h7,10,13-16,27H,3-6,8-9,11-12H2,1-2H3,(H,22,28) HTOMCFFSHIGVOM-UHFFFAOYSA-N 50524170 CHEMBL4562011 Smoothened homolog Mus musculus 3700 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524170&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155559162 440732752 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285769 CN(C1CCN(CC1)c1nnc(s1)-c1ccnn1C)C(=O)c1ccc(F)cc1C(F)(F)F InChI=1S/C20H20F4N6OS/c1-28(18(31)14-4-3-12(21)11-15(14)20(22,23)24)13-6-9-30(10-7-13)19-27-26-17(32-19)16-5-8-25-29(16)2/h3-5,8,11,13H,6-7,9-10H2,1-2H3 DRKJSYRXWPMRJD-UHFFFAOYSA-N 50524171 CHEMBL4576517 Smoothened homolog Mus musculus <10000 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524171&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155553830 440732753 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285770 CC(O)c1ccnn1-c1nnc(s1)N1CCC(CC1)C(=O)NC1CCCCC1C InChI=1S/C20H30N6O2S/c1-13-5-3-4-6-16(13)22-18(28)15-8-11-25(12-9-15)19-23-24-20(29-19)26-17(14(2)27)7-10-21-26/h7,10,13-16,27H,3-6,8-9,11-12H2,1-2H3,(H,22,28) HTOMCFFSHIGVOM-UHFFFAOYSA-N 50524170 CHEMBL4562011 Smoothened homolog Mus musculus 3715 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524170&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155559162 440732752 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285771 C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)cn1 InChI=1S/C25H34N8OS/c1-17-7-8-22(26-15-17)27-16-20-9-12-28-33(20)25-31-30-24(35-25)32-13-10-19(11-14-32)23(34)29-21-6-4-3-5-18(21)2/h7-9,12,15,18-19,21H,3-6,10-11,13-14,16H2,1-2H3,(H,26,27)(H,29,34)/t18-,21+/m1/s1 FUGSGMMXUVQDOY-NQIIRXRSSA-N 50524160 CHEMBL4441529 Smoothened homolog Mus musculus 7.1 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524160&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155515209 440732742 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285772 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)cc1 InChI=1S/C16H16ClN3OS2/c1-22-8-7-13(20-16(21)14-10(17)6-9-23-14)15-18-11-4-2-3-5-12(11)19-15/h2-6,9,13H,7-8H2,1H3,(H,18,19)(H,20,21) JOBQEJLXPYTGGO-UHFFFAOYSA-N 50418347 CHEMBL4167751 Smoothened homolog Mus musculus 47 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418347&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 20885871 163367371 ZINC71340978 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285773 C[C@@H]1CN(CCN1c1cnc(cn1)C(C)(C)O)c1nnc(Cc2ccccc2)s1 InChI=1S/C21H26N6OS/c1-15-14-26(20-25-24-19(29-20)11-16-7-5-4-6-8-16)9-10-27(15)18-13-22-17(12-23-18)21(2,3)28/h4-8,12-13,15,28H,9-11,14H2,1-3H3/t15-/m1/s1 MXNYJDXTIARRPY-OAHLLOKOSA-N 50524172 CHEMBL4456622 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524172&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155525583 440732754 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285774 Cc1ccc(NCc2ccnn2-c2nnc(s2)N2CCC(CC2)C(=O)Nc2ccccc2C)nc1 InChI=1S/C25H28N8OS/c1-17-7-8-22(26-15-17)27-16-20-9-12-28-33(20)25-31-30-24(35-25)32-13-10-19(11-14-32)23(34)29-21-6-4-3-5-18(21)2/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3,(H,26,27)(H,29,34) VFUWNEXBWKSDNZ-UHFFFAOYSA-N 50524173 CHEMBL4588930 Smoothened homolog Mus musculus 140 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524173&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155567305 440732755 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285775 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccccn1 InChI=1S/C24H32N8OS/c1-17-6-2-3-7-20(17)28-22(33)18-10-14-31(15-11-18)23-29-30-24(34-23)32-19(9-13-27-32)16-26-21-8-4-5-12-25-21/h4-5,8-9,12-13,17-18,20H,2-3,6-7,10-11,14-16H2,1H3,(H,25,26)(H,28,33) WEEZHTNAVCRTIJ-UHFFFAOYSA-N 50524174 CHEMBL4517976 Smoothened homolog Mus musculus 18 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524174&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155541363 440732756 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285776 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CO InChI=1S/C19H28N6O2S/c1-13-4-2-3-5-16(13)21-17(27)14-7-10-24(11-8-14)18-22-23-19(28-18)25-15(12-26)6-9-20-25/h6,9,13-14,16,26H,2-5,7-8,10-12H2,1H3,(H,21,27) GTARGNODZQVELD-UHFFFAOYSA-N 50524175 CHEMBL4570957 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524175&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155562700 440732757 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285778 Cc1ccc(NCc2ccnn2-c2nnc(s2)N2CCC(CC2)C(=O)Nc2ccccc2C)nc1 InChI=1S/C25H28N8OS/c1-17-7-8-22(26-15-17)27-16-20-9-12-28-33(20)25-31-30-24(35-25)32-13-10-19(11-14-32)23(34)29-21-6-4-3-5-18(21)2/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3,(H,26,27)(H,29,34) VFUWNEXBWKSDNZ-UHFFFAOYSA-N 50524173 CHEMBL4588930 Smoothened homolog Mus musculus 141 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524173&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155567305 440732755 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285779 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nc(C)cc1C InChI=1S/C20H30N6OS/c1-13-6-4-5-7-17(13)21-18(27)16-8-10-25(11-9-16)19-22-23-20(28-19)26-15(3)12-14(2)24-26/h12-13,16-17H,4-11H2,1-3H3,(H,21,27) UYTPWSIMLOOMFC-UHFFFAOYSA-N 50524176 CHEMBL4468939 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524176&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155533114 440732758 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285780 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1COc1ccc(C)cn1 InChI=1S/C25H33N7O2S/c1-17-7-8-22(26-15-17)34-16-20-9-12-27-32(20)25-30-29-24(35-25)31-13-10-19(11-14-31)23(33)28-21-6-4-3-5-18(21)2/h7-9,12,15,18-19,21H,3-6,10-11,13-14,16H2,1-2H3,(H,28,33) HEULIPWIILPKDI-UHFFFAOYSA-N 50524177 CHEMBL4444651 Smoothened homolog Mus musculus 42 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524177&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155517391 440732759 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285781 C[C@@H]1CN(CCN1c1cnc(cn1)C(C)(C)O)c1nnc(Cc2ccccc2)s1 InChI=1S/C21H26N6OS/c1-15-14-26(20-25-24-19(29-20)11-16-7-5-4-6-8-16)9-10-27(15)18-13-22-17(12-23-18)21(2,3)28/h4-8,12-13,15,28H,9-11,14H2,1-3H3/t15-/m1/s1 MXNYJDXTIARRPY-OAHLLOKOSA-N 50524172 CHEMBL4456622 Smoothened homolog Mus musculus <10000 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524172&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155525583 440732754 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285782 C[C@H]1CCCC[C@H]1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)cn1 InChI=1S/C25H34N8OS/c1-17-7-8-22(26-15-17)27-16-20-9-12-28-33(20)25-31-30-24(35-25)32-13-10-19(11-14-32)23(34)29-21-6-4-3-5-18(21)2/h7-9,12,15,18-19,21H,3-6,10-11,13-14,16H2,1-2H3,(H,26,27)(H,29,34)/t18-,21+/m0/s1 FUGSGMMXUVQDOY-GHTZIAJQSA-N 50524159 CHEMBL4567678 Smoothened homolog Mus musculus 8.3 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524159&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155560589 440732741 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285783 CN(C1CCN(CC1)c1nnc(s1)-c1ccnn1C)C(=O)c1ccc(F)cc1C(F)(F)F InChI=1S/C20H20F4N6OS/c1-28(18(31)14-4-3-12(21)11-15(14)20(22,23)24)13-6-9-30(10-7-13)19-27-26-17(32-19)16-5-8-25-29(16)2/h3-5,8,11,13H,6-7,9-10H2,1-2H3 DRKJSYRXWPMRJD-UHFFFAOYSA-N 50524171 CHEMBL4576517 Smoothened homolog Mus musculus >10000 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524171&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155553830 440732753 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285784 Cc1ccc(NCc2ccnn2-c2nnc(s2)N2CCC(CC2)C(=O)Nc2cnccc2C)nc1 InChI=1S/C24H27N9OS/c1-16-3-4-21(26-13-16)27-14-19-6-10-28-33(19)24-31-30-23(35-24)32-11-7-18(8-12-32)22(34)29-20-15-25-9-5-17(20)2/h3-6,9-10,13,15,18H,7-8,11-12,14H2,1-2H3,(H,26,27)(H,29,34) KBUHQQYSJQKOBA-UHFFFAOYSA-N 50524178 CHEMBL4470299 Smoothened homolog Mus musculus 550 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524178&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155534285 440732760 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285785 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-c1ccccc1CNc1ccc(C)cn1 InChI=1S/C28H36N6OS/c1-19-11-12-25(29-17-19)30-18-22-8-4-5-9-23(22)27-32-33-28(36-27)34-15-13-21(14-16-34)26(35)31-24-10-6-3-7-20(24)2/h4-5,8-9,11-12,17,20-21,24H,3,6-7,10,13-16,18H2,1-2H3,(H,29,30)(H,31,35) MTGMYDWJXIQBTM-UHFFFAOYSA-N 50524179 CHEMBL4518172 Smoothened homolog Mus musculus 290 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524179&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155541211 440732761 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285786 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)nn1 InChI=1S/C24H33N9OS/c1-16-5-3-4-6-20(16)27-22(34)18-10-13-32(14-11-18)23-30-31-24(35-23)33-19(9-12-26-33)15-25-21-8-7-17(2)28-29-21/h7-9,12,16,18,20H,3-6,10-11,13-15H2,1-2H3,(H,25,29)(H,27,34) TZIQHGCHCGQYCE-UHFFFAOYSA-N 50524180 CHEMBL4447291 Smoothened homolog Mus musculus 81 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524180&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155519250 440732762 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51285787 CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)cc1 InChI=1S/C26H35N7OS/c1-18-7-9-21(10-8-18)27-17-22-11-14-28-33(22)26-31-30-25(35-26)32-15-12-20(13-16-32)24(34)29-23-6-4-3-5-19(23)2/h7-11,14,19-20,23,27H,3-6,12-13,15-17H2,1-2H3,(H,29,34) QQSQPCXXWJQUFI-UHFFFAOYSA-N 50524155 CHEMBL4532846 Smoothened homolog Mus musculus 46 ChEMBL 10.1016/j.ejmech.2019.03.057 10.7270/Q2NS0Z92 30939349 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524155&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155547338 440732737 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304798 C[C@@H]1N(Cc2ccc(cc2)N=[N+]=[N-])C(=O)N(C1=O)c1ccc(Cl)cc1 InChI=1S/C17H14ClN5O2/c1-11-16(24)23(15-8-4-13(18)5-9-15)17(25)22(11)10-12-2-6-14(7-3-12)20-21-19/h2-9,11H,10H2,1H3/t11-/m0/s1 KEXXCOSVBSDBQV-NSHDSACASA-N 50530446 CHEMBL4539839 Smoothened homolog Mus musculus 3.0 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530446&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155549835 440739028 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304799 C[C@H]1CN(C(=O)N1Cc1ccccc1)c1ccc(Cl)cc1 InChI=1S/C17H17ClN2O/c1-13-11-20(16-9-7-15(18)8-10-16)17(21)19(13)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3/t13-/m0/s1 FMWWQNWAKUGFAD-ZDUSSCGKSA-N 50530447 CHEMBL4551454 Smoothened homolog Mus musculus 4552 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530447&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155554983 440739029 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304800 C[C@@H]1N(Cc2ccccc2)C(=O)N(C1=O)c1ccc(cc1)N=[N+]=[N-] InChI=1S/C17H15N5O2/c1-12-16(23)22(15-9-7-14(8-10-15)19-20-18)17(24)21(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/t12-/m0/s1 YRXQKGLBTVAKSC-LBPRGKRZSA-N 50530448 CHEMBL4441183 Smoothened homolog Mus musculus 58 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530448&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155515079 440739030 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304801 C[C@@H]1N(Cc2ccccc2)C(=O)N(C1=O)c1c(F)c(F)c(F)c(F)c1F InChI=1S/C17H11F5N2O2/c1-8-16(25)24(15-13(21)11(19)10(18)12(20)14(15)22)17(26)23(8)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m0/s1 FNMNZBMGWFGLHS-QMMMGPOBSA-N 50530449 CHEMBL4450803 Smoothened homolog Mus musculus 1533 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530449&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155521964 440739031 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304802 C[C@@H]1N(Cc2ccccc2)C(=O)N(C1=O)c1ccc(cc1)N=[N+]=[N-] InChI=1S/C17H15N5O2/c1-12-16(23)22(15-9-7-14(8-10-15)19-20-18)17(24)21(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/t12-/m0/s1 YRXQKGLBTVAKSC-LBPRGKRZSA-N 50530448 CHEMBL4441183 Smoothened homolog Mus musculus 58 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530448&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155515079 440739030 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304803 C[C@@H]1N(Cc2ccc(cc2)N=[N+]=[N-])C(=O)N(C1=O)c1ccc(OCC#C)cc1 InChI=1S/C20H17N5O3/c1-3-12-28-18-10-8-17(9-11-18)25-19(26)14(2)24(20(25)27)13-15-4-6-16(7-5-15)22-23-21/h1,4-11,14H,12-13H2,2H3/t14-/m0/s1 LXRQCUOUHNYIEH-AWEZNQCLSA-N 50530450 CHEMBL4562943 Smoothened homolog Mus musculus 31 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530450&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155559226 440739032 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304804 C[C@@H]1N(Cc2ccccc2)C(=O)N(C2CCCCC2)C1=O InChI=1S/C17H22N2O2/c1-13-16(20)19(15-10-6-3-7-11-15)17(21)18(13)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3/t13-/m0/s1 ZMDJIJCMILVKFE-ZDUSSCGKSA-N 50530451 CHEMBL4537455 Smoothened homolog Mus musculus 8006 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530451&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155548312 440739033 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304805 C[C@@H]1N(Cc2ccccc2)C(=O)N(C1=O)c1c(F)c(F)c(F)c(F)c1F InChI=1S/C17H11F5N2O2/c1-8-16(25)24(15-13(21)11(19)10(18)12(20)14(15)22)17(26)23(8)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m0/s1 FNMNZBMGWFGLHS-QMMMGPOBSA-N 50530449 CHEMBL4450803 Smoothened homolog Mus musculus 1533 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530449&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155521964 440739031 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304806 C[C@@H]1N(Cc2ccccc2)C(=S)N(C1=O)c1ccc(Cl)cc1 InChI=1S/C17H15ClN2OS/c1-12-16(21)20(15-9-7-14(18)8-10-15)17(22)19(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/t12-/m0/s1 ODXQMAGAYGTXLP-LBPRGKRZSA-N 50530452 CHEMBL4467625 Smoothened homolog Mus musculus 3791 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530452&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155532735 440739034 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304810 C[C@@H]1N(Cc2c(F)c(F)c(F)c(F)c2F)C(=O)N(C1=O)c1ccc(Cl)cc1 InChI=1S/C17H10ClF5N2O2/c1-7-16(26)25(9-4-2-8(18)3-5-9)17(27)24(7)6-10-11(19)13(21)15(23)14(22)12(10)20/h2-5,7H,6H2,1H3/t7-/m0/s1 UBONKVGSVVVWRS-ZETCQYMHSA-N 50530454 CHEMBL4562945 Smoothened homolog Mus musculus 7382 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530454&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155559228 440739036 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304811 C[C@@H]1N(Cc2ccccc2)C(=O)N(C1=O)c1ccc(Cl)cc1 InChI=1S/C17H15ClN2O2/c1-12-16(21)20(15-9-7-14(18)8-10-15)17(22)19(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/t12-/m0/s1 GHAJNZREWTZYQJ-LBPRGKRZSA-N 50530453 CHEMBL4586057 Smoothened homolog Mus musculus 59 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530453&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 97046899 440739035 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304812 C[C@@H]1N(Cc2ccc(cc2)N=[N+]=[N-])C(=O)N(C1=O)c1ccc(Cl)cc1 InChI=1S/C17H14ClN5O2/c1-11-16(24)23(15-8-4-13(18)5-9-15)17(25)22(11)10-12-2-6-14(7-3-12)20-21-19/h2-9,11H,10H2,1H3/t11-/m0/s1 KEXXCOSVBSDBQV-NSHDSACASA-N 50530446 CHEMBL4539839 Smoothened homolog Mus musculus 3.0 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530446&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155549835 440739028 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304813 C[C@@H]1N(Cc2ccc(cc2)N=[N+]=[N-])C(=O)N(C1=O)c1ccc(OCC#C)cc1 InChI=1S/C20H17N5O3/c1-3-12-28-18-10-8-17(9-11-18)25-19(26)14(2)24(20(25)27)13-15-4-6-16(7-5-15)22-23-21/h1,4-11,14H,12-13H2,2H3/t14-/m0/s1 LXRQCUOUHNYIEH-AWEZNQCLSA-N 50530450 CHEMBL4562943 Smoothened homolog Mus musculus 31 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530450&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155559226 440739032 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304814 C[C@@H]1N(Cc2c(F)c(F)c(F)c(F)c2F)C(=O)N(C1=O)c1ccc(Cl)cc1 InChI=1S/C17H10ClF5N2O2/c1-7-16(26)25(9-4-2-8(18)3-5-9)17(27)24(7)6-10-11(19)13(21)15(23)14(22)12(10)20/h2-5,7H,6H2,1H3/t7-/m0/s1 UBONKVGSVVVWRS-ZETCQYMHSA-N 50530454 CHEMBL4562945 Smoothened homolog Mus musculus 7382 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530454&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155559228 440739036 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304815 C[C@@H]1N(CCc2ccccc2)C(=O)N(C1=O)c1ccc(Cl)cc1 InChI=1S/C18H17ClN2O2/c1-13-17(22)21(16-9-7-15(19)8-10-16)18(23)20(13)12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3/t13-/m0/s1 LTYYEIAHBORAIW-ZDUSSCGKSA-N 50530455 CHEMBL4441914 Smoothened homolog Mus musculus 92 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530455&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155515451 440739037 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304816 C[C@@H]1N(Cc2ccccc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O InChI=1S/C18H17ClN2O2/c1-13-17(22)21(12-15-7-9-16(19)10-8-15)18(23)20(13)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3/t13-/m0/s1 OWMCWGLUZWJAGM-ZDUSSCGKSA-N 50530456 CHEMBL4582942 Smoothened homolog Mus musculus 8097 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530456&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155566181 440739038 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304817 C[C@@H]1N(Cc2ccccc2)C(=S)N(C1=O)c1ccc(Cl)cc1 InChI=1S/C17H15ClN2OS/c1-12-16(21)20(15-9-7-14(18)8-10-15)17(22)19(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/t12-/m0/s1 ODXQMAGAYGTXLP-LBPRGKRZSA-N 50530452 CHEMBL4467625 Smoothened homolog Mus musculus 3791 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530452&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155532735 440739034 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304818 C[C@H]1CN(C(=O)N1Cc1ccccc1)c1ccc(Cl)cc1 InChI=1S/C17H17ClN2O/c1-13-11-20(16-9-7-15(18)8-10-16)17(21)19(13)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3/t13-/m0/s1 FMWWQNWAKUGFAD-ZDUSSCGKSA-N 50530447 CHEMBL4551454 Smoothened homolog Mus musculus 4552 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530447&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155554983 440739029 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304821 C[C@@H]1N(Cc2ccccc2)C(=O)N(C1=O)c1ccc(Cl)cc1 InChI=1S/C17H15ClN2O2/c1-12-16(21)20(15-9-7-14(18)8-10-15)17(22)19(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/t12-/m0/s1 GHAJNZREWTZYQJ-LBPRGKRZSA-N 50530453 CHEMBL4586057 Smoothened homolog Mus musculus 59 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530453&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 97046899 440739035 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304822 C[C@@H]1N(C(=O)N(C1=O)c1ccc(Cl)cc1)c1ccccc1 InChI=1S/C16H13ClN2O2/c1-11-15(20)19(14-9-7-12(17)8-10-14)16(21)18(11)13-5-3-2-4-6-13/h2-11H,1H3/t11-/m0/s1 MZHLASDIRDXOKV-NSHDSACASA-N 50530457 CHEMBL4539606 Smoothened homolog Mus musculus 547 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530457&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 154708544 440739039 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304823 C[C@@H]1N(Cc2ccccc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O InChI=1S/C18H17ClN2O2/c1-13-17(22)21(12-15-7-9-16(19)10-8-15)18(23)20(13)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3/t13-/m0/s1 OWMCWGLUZWJAGM-ZDUSSCGKSA-N 50530456 CHEMBL4582942 Smoothened homolog Mus musculus 8097 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530456&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155566181 440739038 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304825 C[C@@H]1N(CCc2ccccc2)C(=O)N(C1=O)c1ccc(Cl)cc1 InChI=1S/C18H17ClN2O2/c1-13-17(22)21(16-9-7-15(19)8-10-16)18(23)20(13)12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3/t13-/m0/s1 LTYYEIAHBORAIW-ZDUSSCGKSA-N 50530455 CHEMBL4441914 Smoothened homolog Mus musculus 92 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530455&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155515451 440739037 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304826 C[C@@H]1N(CC2CCCCC2)C(=O)N(C1=O)c1ccc(Cl)cc1 InChI=1S/C17H21ClN2O2/c1-12-16(21)20(15-9-7-14(18)8-10-15)17(22)19(12)11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3/t12-/m0/s1 HGJIQAITFMUGOA-LBPRGKRZSA-N 50530458 CHEMBL4553897 Smoothened homolog Mus musculus 383 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530458&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155555575 440739040 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304828 C[C@@H]1N(C(=O)N(C1=O)c1ccc(Cl)cc1)c1ccccc1 InChI=1S/C16H13ClN2O2/c1-11-15(20)19(14-9-7-12(17)8-10-14)16(21)18(11)13-5-3-2-4-6-13/h2-11H,1H3/t11-/m0/s1 MZHLASDIRDXOKV-NSHDSACASA-N 50530457 CHEMBL4539606 Smoothened homolog Mus musculus 547 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530457&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 154708544 440739039 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304830 C[C@@H]1N(CC2CCCCC2)C(=O)N(C1=O)c1ccc(Cl)cc1 InChI=1S/C17H21ClN2O2/c1-12-16(21)20(15-9-7-14(18)8-10-15)17(22)19(12)11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3/t12-/m0/s1 HGJIQAITFMUGOA-LBPRGKRZSA-N 50530458 CHEMBL4553897 Smoothened homolog Mus musculus 383 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530458&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155555575 440739040 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51304831 C[C@@H]1N(Cc2ccccc2)C(=O)N(C2CCCCC2)C1=O InChI=1S/C17H22N2O2/c1-13-16(20)19(15-10-6-3-7-11-15)17(21)18(13)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3/t13-/m0/s1 ZMDJIJCMILVKFE-ZDUSSCGKSA-N 50530451 CHEMBL4537455 Smoothened homolog Mus musculus 8006 ChEMBL 10.1021/acs.jmedchem.9b00283 10.7270/Q2CC1453 31408335 Zhou, F; Ding, K; Zhou, Y; Liu, Y; Liu, X; Zhao, F; Wu, Y; Zhang, X; Tan, Q; Xu, F; Tan, W; Xiao, Y; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50530451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50530451&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 155548312 440739033 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332181 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24) BPQMGSKTAYIVFO-UHFFFAOYSA-N 50249522 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide::CHEMBL473417::VISMODEGIB Smoothened homolog Mus musculus 4.7 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249522&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search VIS 8HJE,5L7I 24776445 104103799 66903 CHEMBL473417 DB08828 6975 ZINC40899447 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332182 Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc[nH]1 InChI=1S/C23H20N4O2/c1-16-5-6-18(22-25-12-13-26-22)14-21(16)27-23(28)17-7-9-20(10-8-17)29-15-19-4-2-3-11-24-19/h2-14H,15H2,1H3,(H,25,26)(H,27,28) KMSKKYBHDQYHMC-UHFFFAOYSA-N 50388722 CHEMBL2059865 Smoothened homolog Mus musculus 13 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388722&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25253556 160867805 CHEMBL2059865 ZINC59223284 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332183 Cc1cc(Cl)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc[nH]1 InChI=1S/C23H19ClN4O2/c1-15-12-20(24)19(22-26-10-11-27-22)13-21(15)28-23(29)16-5-7-18(8-6-16)30-14-17-4-2-3-9-25-17/h2-13H,14H2,1H3,(H,26,27)(H,28,29) FCQXMKXNNPOBKZ-UHFFFAOYSA-N 50539182 CHEMBL4642917 Smoothened homolog Mus musculus 7.5 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539182&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 141233616 442140745 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332184 Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cn(C)cn1 InChI=1S/C24H22N4O2/c1-17-6-7-19(23-14-28(2)16-26-23)13-22(17)27-24(29)18-8-10-21(11-9-18)30-15-20-5-3-4-12-25-20/h3-14,16H,15H2,1-2H3,(H,27,29) IIZZQZANQFYVIQ-UHFFFAOYSA-N 50388708 CHEMBL2059866 Smoothened homolog Mus musculus 89 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388708&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 70684298 160867791 CHEMBL2059866 ZINC84690822 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332185 Cc1cc(Cl)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cn(C)cn1 InChI=1S/C24H21ClN4O2/c1-16-11-21(25)20(23-13-29(2)15-27-23)12-22(16)28-24(30)17-6-8-19(9-7-17)31-14-18-5-3-4-10-26-18/h3-13,15H,14H2,1-2H3,(H,28,30) MRGRQCNKGGCKHW-UHFFFAOYSA-N 50539183 CHEMBL4636352 Smoothened homolog Mus musculus 23 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539183&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 142702918 442140746 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332186 Cc1nc(cn1C)-c1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1 InChI=1S/C25H24N4O2/c1-17-7-8-20(24-15-29(3)18(2)27-24)14-23(17)28-25(30)19-9-11-22(12-10-19)31-16-21-6-4-5-13-26-21/h4-15H,16H2,1-3H3,(H,28,30) IXUDEFMPPSTAGQ-UHFFFAOYSA-N 50388711 CHEMBL2059869 Smoothened homolog Mus musculus 27 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388711&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 70682196 160867794 CHEMBL2059869 ZINC84689251 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332187 Cc1nc(cn1C)-c1cc(NC(=O)c2ccc(OCc3ccccn3)cc2)c(C)cc1Cl InChI=1S/C25H23ClN4O2/c1-16-12-22(26)21(24-14-30(3)17(2)28-24)13-23(16)29-25(31)18-7-9-20(10-8-18)32-15-19-6-4-5-11-27-19/h4-14H,15H2,1-3H3,(H,29,31) XGZCHLTVRTXDAK-UHFFFAOYSA-N 50539184 CHEMBL4636369 Smoothened homolog Mus musculus 2.9 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539184&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 141233592 442140747 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332188 Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1nccn1C InChI=1S/C24H22N4O2/c1-17-6-7-19(23-26-13-14-28(23)2)15-22(17)27-24(29)18-8-10-21(11-9-18)30-16-20-5-3-4-12-25-20/h3-15H,16H2,1-2H3,(H,27,29) YLQZACBCJBUTDN-UHFFFAOYSA-N 50388720 CHEMBL2059861 Smoothened homolog Mus musculus 18 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388720&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 67374618 160867803 CHEMBL2059861 ZINC84711403 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332189 Cc1nc(c[nH]1)-c1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1 InChI=1S/C24H22N4O2/c1-16-6-7-19(23-14-26-17(2)27-23)13-22(16)28-24(29)18-8-10-21(11-9-18)30-15-20-5-3-4-12-25-20/h3-14H,15H2,1-2H3,(H,26,27)(H,28,29) VHCKBVYAKAYQCA-UHFFFAOYSA-N 50388709 CHEMBL2059867 Smoothened homolog Mus musculus 6.7 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388709&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 68780878 160867792 CHEMBL2059867 ZINC84703733 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332190 Cc1ncc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)n1C InChI=1S/C25H24N4O2/c1-17-7-8-20(24-15-27-18(2)29(24)3)14-23(17)28-25(30)19-9-11-22(12-10-19)31-16-21-6-4-5-13-26-21/h4-15H,16H2,1-3H3,(H,28,30) YILFXQQRAUCJNJ-UHFFFAOYSA-N 50539185 CHEMBL4637915 Smoothened homolog Mus musculus 30 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539185&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 141233611 442140748 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332191 Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1c[nH]cn1 InChI=1S/C23H20N4O2/c1-16-5-6-18(22-13-24-15-26-22)12-21(16)27-23(28)17-7-9-20(10-8-17)29-14-19-4-2-3-11-25-19/h2-13,15H,14H2,1H3,(H,24,26)(H,27,28) VMANFLQBPGTNHR-UHFFFAOYSA-N 50388719 CHEMBL2059860 Smoothened homolog Mus musculus 39 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388719&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 67379186 160867802 CHEMBL2059860 ZINC84690532 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332192 Cc1[nH]cnc1-c1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1 InChI=1S/C24H22N4O2/c1-16-6-7-19(23-17(2)26-15-27-23)13-22(16)28-24(29)18-8-10-21(11-9-18)30-14-20-5-3-4-12-25-20/h3-13,15H,14H2,1-2H3,(H,26,27)(H,28,29) WEBMPRYNVSZEAK-UHFFFAOYSA-N 50388710 CHEMBL2059868 Smoothened homolog Mus musculus 21 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388710&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 70690618 160867793 CHEMBL2059868 ZINC84703737 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332193 Cc1cc(Cl)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1nccn1C InChI=1S/C24H21ClN4O2/c1-16-13-21(25)20(23-27-11-12-29(23)2)14-22(16)28-24(30)17-6-8-19(9-7-17)31-15-18-5-3-4-10-26-18/h3-14H,15H2,1-2H3,(H,28,30) BRZYCGTUHFLYKB-UHFFFAOYSA-N 50539186 CHEMBL4641050 Smoothened homolog Mus musculus 6.8 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539186&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25254030 442140749 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332194 Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc[nH]1 InChI=1S/C24H22N4O2/c1-16-13-17(2)22(14-21(16)23-26-11-12-27-23)28-24(29)18-6-8-20(9-7-18)30-15-19-5-3-4-10-25-19/h3-14H,15H2,1-2H3,(H,26,27)(H,28,29) BEZRNHWRVKFZJX-UHFFFAOYSA-N 50539187 CHEMBL4632769 Smoothened homolog Mus musculus 1.000000 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539187&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25253713 442140750 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332195 Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cn(C)cn1 InChI=1S/C25H24N4O2/c1-17-12-18(2)23(13-22(17)24-14-29(3)16-27-24)28-25(30)19-7-9-21(10-8-19)31-15-20-6-4-5-11-26-20/h4-14,16H,15H2,1-3H3,(H,28,30) SMQVBAGSZVHCJP-UHFFFAOYSA-N 50539188 CHEMBL4637222 Smoothened homolog Mus musculus 2.6 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539188&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 53344810 442140751 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332196 Cc1ncc([nH]1)-c1cc(NC(=O)c2ccc(OCc3ccccn3)cc2)c(C)cc1C InChI=1S/C25H24N4O2/c1-16-12-17(2)23(13-22(16)24-14-27-18(3)28-24)29-25(30)19-7-9-21(10-8-19)31-15-20-6-4-5-11-26-20/h4-14H,15H2,1-3H3,(H,27,28)(H,29,30) GBHZJOLYBNNCNJ-UHFFFAOYSA-N 50539189 CHEMBL4640840 Smoothened homolog Mus musculus 2.9 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539189&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 123232871 442140752 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332197 Cc1cc(F)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc[nH]1 InChI=1S/C23H19FN4O2/c1-15-12-20(24)19(22-26-10-11-27-22)13-21(15)28-23(29)16-5-7-18(8-6-16)30-14-17-4-2-3-9-25-17/h2-13H,14H2,1H3,(H,26,27)(H,28,29) PSQRFWCESROCRS-UHFFFAOYSA-N 50539190 CHEMBL4636326 Smoothened homolog Mus musculus 17 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539190&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 68780150 442140753 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332198 Cc1ccc(-c2ncc[nH]2)c(C)c1NC(=O)c1ccc(OCc2ccccn2)cc1 InChI=1S/C24H22N4O2/c1-16-6-11-21(23-26-13-14-27-23)17(2)22(16)28-24(29)18-7-9-20(10-8-18)30-15-19-5-3-4-12-25-19/h3-14H,15H2,1-2H3,(H,26,27)(H,28,29) HRCCVWDWWWJFNZ-UHFFFAOYSA-N 50539191 CHEMBL4638476 Smoothened homolog Mus musculus 13 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539191&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 156012240 442140754 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332199 Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1nc2ccccc2[nH]1 InChI=1S/C28H24N4O2/c1-18-15-19(2)26(16-23(18)27-30-24-8-3-4-9-25(24)31-27)32-28(33)20-10-12-22(13-11-20)34-17-21-7-5-6-14-29-21/h3-16H,17H2,1-2H3,(H,30,31)(H,32,33) KSZFASRKOSEUKA-UHFFFAOYSA-N 50539192 CHEMBL4637218 Smoothened homolog Mus musculus 3.1 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539192&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 141233599 442140755 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332200 Cc1csc(n1)-c1cc(NC(=O)c2ccc(OCc3ccccn3)cc2)c(C)cc1C InChI=1S/C25H23N3O2S/c1-16-12-17(2)23(13-22(16)25-27-18(3)15-31-25)28-24(29)19-7-9-21(10-8-19)30-14-20-6-4-5-11-26-20/h4-13,15H,14H2,1-3H3,(H,28,29) JRSCPBAQPXXZTE-UHFFFAOYSA-N 50539193 CHEMBL4639432 Smoothened homolog Mus musculus 0.900000 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539193&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 156013465 442140756 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332201 Cc1n[nH]cc1-c1cc(NC(=O)c2ccc(OCc3ccccn3)cc2)c(C)cc1C InChI=1S/C25H24N4O2/c1-16-12-17(2)24(13-22(16)23-14-27-29-18(23)3)28-25(30)19-7-9-21(10-8-19)31-15-20-6-4-5-11-26-20/h4-14H,15H2,1-3H3,(H,27,29)(H,28,30) ZFZXCQAHEJXMGW-UHFFFAOYSA-N 50539194 CHEMBL4648026 Smoothened homolog Mus musculus 1.1 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539194&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 156021408 442140757 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332202 Cc1nn(C)c(C)c1-c1cc(NC(=O)c2ccc(OCc3ccccn3)cc2)c(C)cc1C InChI=1S/C27H28N4O2/c1-17-14-18(2)25(15-24(17)26-19(3)30-31(5)20(26)4)29-27(32)21-9-11-23(12-10-21)33-16-22-8-6-7-13-28-22/h6-15H,16H2,1-5H3,(H,29,32) VVBNZUFJZAESEF-UHFFFAOYSA-N 50539195 CHEMBL4647379 Smoothened homolog Mus musculus 3.1 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539195&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 156020817 442140758 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332203 Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ccccn1 InChI=1S/C26H23N3O2/c1-18-15-19(2)25(16-23(18)24-8-4-6-14-28-24)29-26(30)20-9-11-22(12-10-20)31-17-21-7-3-5-13-27-21/h3-16H,17H2,1-2H3,(H,29,30) LMWKVXVABNCJLY-UHFFFAOYSA-N 50539196 CHEMBL4644674 Smoothened homolog Mus musculus 0.800000 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539196&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 156019072 442140759 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332204 Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cccnc1 InChI=1S/C26H23N3O2/c1-18-14-19(2)25(15-24(18)21-6-5-12-27-16-21)29-26(30)20-8-10-23(11-9-20)31-17-22-7-3-4-13-28-22/h3-16H,17H2,1-2H3,(H,29,30) XFAGSPIULJRXGV-UHFFFAOYSA-N 50539197 CHEMBL4644175 Smoothened homolog Mus musculus 2.3 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539197&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 156018577 442140760 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332205 Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ccc(N)cn1 InChI=1S/C26H24N4O2/c1-17-13-18(2)25(14-23(17)24-11-8-20(27)15-29-24)30-26(31)19-6-9-22(10-7-19)32-16-21-5-3-4-12-28-21/h3-15H,16,27H2,1-2H3,(H,30,31) WSFFMTWYIVNIGW-UHFFFAOYSA-N 50539198 CHEMBL4643226 Smoothened homolog Mus musculus 1.000000 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539198&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 156019009 442140761 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332206 Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cccc(N)n1 InChI=1S/C26H24N4O2/c1-17-14-18(2)24(15-22(17)23-7-5-8-25(27)29-23)30-26(31)19-9-11-21(12-10-19)32-16-20-6-3-4-13-28-20/h3-15H,16H2,1-2H3,(H2,27,29)(H,30,31) JDUTVKVDOQGKTH-UHFFFAOYSA-N 50539199 CHEMBL4637249 Smoothened homolog Mus musculus 1.7 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539199&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 156012199 442140762 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332207 Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ccc(N)nn1 InChI=1S/C25H23N5O2/c1-16-13-17(2)23(14-21(16)22-10-11-24(26)30-29-22)28-25(31)18-6-8-20(9-7-18)32-15-19-5-3-4-12-27-19/h3-14H,15H2,1-2H3,(H2,26,30)(H,28,31) XVERARALPOVGNI-UHFFFAOYSA-N 50539200 CHEMBL4646211 Smoothened homolog Mus musculus <1.5 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539200&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 156019671 442140763 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332214 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24) BPQMGSKTAYIVFO-UHFFFAOYSA-N 50249522 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide::CHEMBL473417::VISMODEGIB Smoothened homolog Mus musculus <0.1 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249522&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search VIS 8HJE,5L7I 24776445 104103799 66903 CHEMBL473417 DB08828 6975 ZINC40899447 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332221 Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc[nH]1 InChI=1S/C24H22N4O2/c1-16-13-17(2)22(14-21(16)23-26-11-12-27-23)28-24(29)18-6-8-20(9-7-18)30-15-19-5-3-4-10-25-19/h3-14H,15H2,1-2H3,(H,26,27)(H,28,29) BEZRNHWRVKFZJX-UHFFFAOYSA-N 50539187 CHEMBL4632769 Smoothened homolog Mus musculus 20 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539187&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25253713 442140750 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332228 Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cn(C)cn1 InChI=1S/C25H24N4O2/c1-17-12-18(2)23(13-22(17)24-14-29(3)16-27-24)28-25(30)19-7-9-21(10-8-19)31-15-20-6-4-5-11-26-20/h4-14,16H,15H2,1-3H3,(H,28,30) SMQVBAGSZVHCJP-UHFFFAOYSA-N 50539188 CHEMBL4637222 Smoothened homolog Mus musculus 3.1 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539188&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 53344810 442140751 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332231 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24) BPQMGSKTAYIVFO-UHFFFAOYSA-N 50249522 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide::CHEMBL473417::VISMODEGIB Smoothened homolog Mus musculus 2.0 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249522&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search VIS 8HJE,5L7I 24776445 104103799 66903 CHEMBL473417 DB08828 6975 ZINC40899447 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51332234 Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc[nH]1 InChI=1S/C23H20N4O2/c1-16-5-6-18(22-25-12-13-26-22)14-21(16)27-23(28)17-7-9-20(10-8-17)29-15-19-4-2-3-11-24-19/h2-14H,15H2,1H3,(H,25,26)(H,27,28) KMSKKYBHDQYHMC-UHFFFAOYSA-N 50388722 CHEMBL2059865 Smoothened homolog Mus musculus 18 ChEMBL 10.1016/j.bmc.2019.115227 10.7270/Q2CF9TNC 31862310 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388722&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 25253556 160867805 CHEMBL2059865 ZINC59223284 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421231 CC(O)(CCCCCCO)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C InChI=1S/C27H46O3/c1-25-15-12-20(29)18-19(25)8-9-21-22-10-11-24(26(22,2)16-13-23(21)25)27(3,30)14-6-4-5-7-17-28/h8,20-24,28-30H,4-7,9-18H2,1-3H3/t20-,21-,22-,23-,24?,25-,26-,27?/m0/s1 TZQMDXPSIZYUCJ-HKIFLSDQSA-N 50574123 CHEMBL4875436 Smoothened homolog Mus musculus >100000 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574123&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164627405 471064268 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421232 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCO)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C InChI=1S/C40H69N3O8/c1-38-15-12-33(45)28-31(38)8-9-34-35-10-11-37(39(35,2)16-13-36(34)38)40(3,46)14-6-4-5-7-19-47-26-27-51-30-32-29-43(42-41-32)17-20-48-22-24-50-25-23-49-21-18-44/h8,29,33-37,44-46H,4-7,9-28,30H2,1-3H3/t33-,34-,35-,36-,37?,38-,39-,40?/m0/s1 NWJUSVRJFQNHQJ-JCLYULLMSA-N 50574124 CHEMBL4859557 Smoothened homolog Mus musculus >100000 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574124&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164613745 471064269 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421233 CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCn2cc(COCCO)nn2)c1)C(=O)c1sc2ccccc2c1Cl InChI=1S/C41H51ClN6O7S/c1-43-33-9-11-35(12-10-33)48(41(50)40-39(42)36-7-2-3-8-37(36)56-40)27-30-5-4-6-31(25-30)32-13-14-44-38(26-32)55-24-23-53-22-21-52-20-19-51-17-15-47-28-34(45-46-47)29-54-18-16-49/h2-8,13-14,25-26,28,33,35,43,49H,9-12,15-24,27,29H2,1H3/t33-,35- PBHDGBNNKAXOEF-XGUXPKHRSA-N 50574125 CHEMBL4866116 Smoothened homolog Mus musculus 966 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574125&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164624113 471064270 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421234 CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OC)c1)C(=O)c1sc2ccccc2c1Cl InChI=1S/C29H30ClN3O2S/c1-31-22-10-12-23(13-11-22)33(29(34)28-27(30)24-8-3-4-9-25(24)36-28)18-19-6-5-7-20(16-19)21-14-15-32-26(17-21)35-2/h3-9,14-17,22-23,31H,10-13,18H2,1-2H3/t22-,23- ROVZDWXVQIHSRD-YHBQERECSA-N 50574126 CHEMBL4846477 Smoothened homolog Mus musculus 819 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574126&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164609131 471064271 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421235 CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCn2cc(COCCOCCCCCC[C@@H](C)C3CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)nn2)c1)C(=O)c1sc2ccccc2c1Cl InChI=1S/C68H95ClN6O8S/c1-48(59-23-24-60-57-22-17-52-44-56(76)25-28-67(52,2)61(57)26-29-68(59,60)3)12-7-5-6-10-32-78-38-39-82-47-54-46-74(73-72-54)31-33-79-34-35-80-36-37-81-40-41-83-63-43-51(27-30-71-63)50-14-11-13-49(42-50)45-75(55-20-18-53(70-4)19-21-55)66(77)65-64(69)58-15-8-9-16-62(58)84-65/h8-9,11,13-17,27,30,42-43,46,48,53,55-57,59-61,70,76H,5-7,10,12,18-26,28-29,31-41,44-45,47H2,1-4H3/t48-,53-,55-,56+,57+,59?,60+,61+,67+,68-/m1/s1 OPRLHPAMAZEBBO-BXSLSLRRSA-N 50574127 CHEMBL4875874 Smoothened homolog Mus musculus 200 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574127&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164627959 471064272 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421236 CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCn2cc(COCCOCCOCCOCCCCCC[C@@H](C)C3CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)nn2)c1)C(=O)c1sc2ccccc2c1Cl InChI=1S/C72H103ClN6O10S/c1-52(63-23-24-64-61-22-17-56-48-60(80)25-28-71(56,2)65(61)26-29-72(63,64)3)12-7-5-6-10-32-82-34-36-84-38-39-86-42-43-88-51-58-50-78(77-76-58)31-33-83-35-37-85-40-41-87-44-45-89-67-47-55(27-30-75-67)54-14-11-13-53(46-54)49-79(59-20-18-57(74-4)19-21-59)70(81)69-68(73)62-15-8-9-16-66(62)90-69/h8-9,11,13-17,27,30,46-47,50,52,57,59-61,63-65,74,80H,5-7,10,12,18-26,28-29,31-45,48-49,51H2,1-4H3/t52-,57-,59-,60+,61+,63?,64+,65+,71+,72-/m1/s1 MAYLQRSOBRWIOJ-WVDAXIGBSA-N 50574128 CHEMBL4855383 Smoothened homolog Mus musculus 200 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574128&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164609689 471064273 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421237 CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCn2cc(COCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C3CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)nn2)c1)C(=O)c1sc2ccccc2c1Cl InChI=1S/C78H115ClN6O13S/c1-58(69-23-24-70-67-22-17-62-54-66(86)25-28-77(62,2)71(67)26-29-78(69,70)3)12-7-5-6-10-32-88-34-36-90-38-39-92-40-41-93-42-43-94-44-45-95-48-49-97-57-64-56-84(83-82-64)31-33-89-35-37-91-46-47-96-50-51-98-73-53-61(27-30-81-73)60-14-11-13-59(52-60)55-85(65-20-18-63(80-4)19-21-65)76(87)75-74(79)68-15-8-9-16-72(68)99-75/h8-9,11,13-17,27,30,52-53,56,58,63,65-67,69-71,80,86H,5-7,10,12,18-26,28-29,31-51,54-55,57H2,1-4H3/t58-,63-,65-,66+,67+,69?,70+,71+,77+,78-/m1/s1 OQHDVVCIKZLANK-NDROFJCCSA-N 50574129 CHEMBL4850805 Smoothened homolog Mus musculus 200 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574129&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164612791 471064274 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421238 CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCOCCOCCn2cc(COCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C3CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)nn2)c1)C(=O)c1sc2ccccc2c1Cl InChI=1S/C82H123ClN6O15S/c1-62(73-23-24-74-71-22-17-66-58-70(90)25-28-81(66,2)75(71)26-29-82(73,74)3)12-7-5-6-10-32-92-34-36-94-38-40-96-42-43-98-44-45-99-48-49-101-52-53-103-61-68-60-88(87-86-68)31-33-93-35-37-95-39-41-97-46-47-100-50-51-102-54-55-104-77-57-65(27-30-85-77)64-14-11-13-63(56-64)59-89(69-20-18-67(84-4)19-21-69)80(91)79-78(83)72-15-8-9-16-76(72)105-79/h8-9,11,13-17,27,30,56-57,60,62,67,69-71,73-75,84,90H,5-7,10,12,18-26,28-29,31-55,58-59,61H2,1-4H3/t62-,67-,69-,70+,71+,73?,74+,75+,81+,82-/m1/s1 WSQIWOALEHRQFM-UVQJTJEZSA-N 50574130 CHEMBL4865069 Smoothened homolog Mus musculus 200 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574130&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164620070 471064275 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421239 CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCOCCOCCn2cc(COCCOCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C3CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)nn2)c1)C(=O)c1sc2ccccc2c1Cl InChI=1S/C84H127ClN6O16S/c1-64(75-23-24-76-73-22-17-68-60-72(92)25-28-83(68,2)77(73)26-29-84(75,76)3)12-7-5-6-10-32-94-34-36-96-38-40-98-42-43-100-44-45-101-46-47-102-50-51-104-54-55-106-63-70-62-90(89-88-70)31-33-95-35-37-97-39-41-99-48-49-103-52-53-105-56-57-107-79-59-67(27-30-87-79)66-14-11-13-65(58-66)61-91(71-20-18-69(86-4)19-21-71)82(93)81-80(85)74-15-8-9-16-78(74)108-81/h8-9,11,13-17,27,30,58-59,62,64,69,71-73,75-77,86,92H,5-7,10,12,18-26,28-29,31-57,60-61,63H2,1-4H3/t64-,69-,71-,72+,73+,75?,76+,77+,83+,84-/m1/s1 NQQFALOMNWRCGD-OQUMZBJMSA-N 50574131 CHEMBL4859799 Smoothened homolog Mus musculus 200 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574131&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164617125 471064276 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421240 CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCOCCOCCn2cc(COCCOCCOCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C3CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)nn2)c1)C(=O)c1sc2ccccc2c1Cl InChI=1S/C86H131ClN6O17S/c1-66(77-23-24-78-75-22-17-70-62-74(94)25-28-85(70,2)79(75)26-29-86(77,78)3)12-7-5-6-10-32-96-34-36-98-38-40-100-42-43-102-44-45-103-46-47-104-48-49-105-52-53-107-56-57-109-65-72-64-92(91-90-72)31-33-97-35-37-99-39-41-101-50-51-106-54-55-108-58-59-110-81-61-69(27-30-89-81)68-14-11-13-67(60-68)63-93(73-20-18-71(88-4)19-21-73)84(95)83-82(87)76-15-8-9-16-80(76)111-83/h8-9,11,13-17,27,30,60-61,64,66,71,73-75,77-79,88,94H,5-7,10,12,18-26,28-29,31-59,62-63,65H2,1-4H3/t66-,71-,73-,74+,75+,77?,78+,79+,85+,86-/m1/s1 YKADKSRKZLMZJU-WVAWQSHUSA-N 50574132 CHEMBL4857875 Smoothened homolog Mus musculus 200 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574132&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164610344 471064277 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421241 CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2ccccc2c1Cl InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/t22-,23- VFSUUTYAEQOIMW-YHBQERECSA-N 50393851 CHEMBL1221983 Smoothened homolog Mus musculus 17 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393851&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search V0S 7ZI0,6XBL 5284330 163342875 CHEMBL1221983 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421242 CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCn2cc(COCCCCCCC(C)(O)C3CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)nn2)c1)C(=O)c1sc2ccccc2c1Cl InChI=1S/C64H87ClN6O7S/c1-62-28-24-51(72)40-47(62)16-21-52-54-22-23-57(63(54,2)29-25-55(52)62)64(3,74)27-9-5-6-10-32-77-43-49-42-70(69-68-49)31-33-75-34-35-76-36-37-78-58-39-46(26-30-67-58)45-13-11-12-44(38-45)41-71(50-19-17-48(66-4)18-20-50)61(73)60-59(65)53-14-7-8-15-56(53)79-60/h7-8,11-16,26,30,38-39,42,48,50-52,54-55,57,66,72,74H,5-6,9-10,17-25,27-29,31-37,40-41,43H2,1-4H3/t48-,50-,51-,52-,54-,55-,57?,62-,63-,64?/m0/s1 DHDJWWSXGJVVBD-AOFNMHOSSA-N 50574133 CHEMBL4877645 Smoothened homolog Mus musculus 8.0 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574133&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164626857 471064278 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421243 CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCn2cc(COCCCCCC[C@](C)(O)C3CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)nn2)c1)C(=O)c1sc2ccccc2c1Cl InChI=1S/C66H91ClN6O8S/c1-64-28-24-53(74)42-49(64)16-21-54-56-22-23-59(65(56,2)29-25-57(54)64)66(3,76)27-9-5-6-10-32-80-45-51-44-72(71-70-51)31-33-77-34-35-78-36-37-79-38-39-81-60-41-48(26-30-69-60)47-13-11-12-46(40-47)43-73(52-19-17-50(68-4)18-20-52)63(75)62-61(67)55-14-7-8-15-58(55)82-62/h7-8,11-16,26,30,40-41,44,50,52-54,56-57,59,68,74,76H,5-6,9-10,17-25,27-29,31-39,42-43,45H2,1-4H3/t50-,52-,53-,54-,56-,57-,59?,64-,65-,66-/m0/s1 LJSIPMISZUHUER-MWILAZTRSA-N 50574134 CHEMBL4863797 Smoothened homolog Mus musculus 8.0 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574134&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164624904 471064279 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421244 CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCn2cc(COCCOCCOCCCCCC[C@](C)(O)C3CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)nn2)c1)C(=O)c1sc2ccccc2c1Cl InChI=1S/C70H99ClN6O10S/c1-68-28-24-57(78)46-53(68)16-21-58-60-22-23-63(69(60,2)29-25-61(58)68)70(3,80)27-9-5-6-10-32-81-34-36-84-40-41-86-49-55-48-76(75-74-55)31-33-82-35-37-83-38-39-85-42-43-87-64-45-52(26-30-73-64)51-13-11-12-50(44-51)47-77(56-19-17-54(72-4)18-20-56)67(79)66-65(71)59-14-7-8-15-62(59)88-66/h7-8,11-16,26,30,44-45,48,54,56-58,60-61,63,72,78,80H,5-6,9-10,17-25,27-29,31-43,46-47,49H2,1-4H3/t54-,56-,57-,58-,60-,61-,63?,68-,69-,70-/m0/s1 RAFAEJWFPOYWKB-ZRGQZHORSA-N 50574135 CHEMBL4872118 Smoothened homolog Mus musculus 8.0 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574135&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164624752 471064280 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421245 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(c3)-c3ccccn3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C InChI=1S/C56H75Cl2N5O9S/c1-54-22-19-42(64)34-39(54)11-14-44-47-16-18-52(55(47,2)23-20-48(44)54)56(3,66)21-7-4-5-9-26-69-30-31-72-38-41-37-63(62-61-41)25-27-70-28-29-71-32-33-73(67,68)43-13-15-45(50(58)36-43)53(65)60-40-12-17-49(57)46(35-40)51-10-6-8-24-59-51/h6,8,10-13,15,17,24,35-37,42,44,47-48,52,64,66H,4-5,7,9,14,16,18-23,25-34,38H2,1-3H3,(H,60,65)/t42-,44-,47-,48-,52?,54-,55-,56?/m0/s1 YTKAUVJXMURLSB-GUAYPBSVSA-N 50574136 CHEMBL4846473 Smoothened homolog Mus musculus 20 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574136&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164609096 471064281 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421246 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(c3)-c3ccccn3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C InChI=1S/C58H79Cl2N5O10S/c1-56-22-19-44(66)36-41(56)11-14-46-49-16-18-54(57(49,2)23-20-50(46)56)58(3,68)21-7-4-5-9-26-71-32-33-75-40-43-39-65(64-63-43)25-27-72-28-29-73-30-31-74-34-35-76(69,70)45-13-15-47(52(60)38-45)55(67)62-42-12-17-51(59)48(37-42)53-10-6-8-24-61-53/h6,8,10-13,15,17,24,37-39,44,46,49-50,54,66,68H,4-5,7,9,14,16,18-23,25-36,40H2,1-3H3,(H,62,67)/t44-,46-,49-,50-,54?,56-,57-,58?/m0/s1 DZFZBMZVMBCIHF-GJSYTKBOSA-N 50574137 CHEMBL4861774 Smoothened homolog Mus musculus 20 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574137&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164613692 471064282 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421247 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(c3)-c3ccccn3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C InChI=1S/C60H83Cl2N5O11S/c1-58-22-19-46(68)38-43(58)11-14-48-51-16-18-56(59(51,2)23-20-52(48)58)60(3,70)21-7-4-5-9-26-73-34-35-78-42-45-41-67(66-65-45)25-27-74-28-29-75-30-31-76-32-33-77-36-37-79(71,72)47-13-15-49(54(62)40-47)57(69)64-44-12-17-53(61)50(39-44)55-10-6-8-24-63-55/h6,8,10-13,15,17,24,39-41,46,48,51-52,56,68,70H,4-5,7,9,14,16,18-23,25-38,42H2,1-3H3,(H,64,69)/t46-,48-,51-,52-,56?,58-,59-,60?/m0/s1 YGSNKVLPBKLHOH-TZFHGROLSA-N 50574138 CHEMBL4858367 Smoothened homolog Mus musculus 20 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574138&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164614211 471064283 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421248 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(c3)-c3ccccn3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C InChI=1S/C62H87Cl2N5O12S/c1-60-22-19-48(70)40-45(60)11-14-50-53-16-18-58(61(53,2)23-20-54(50)60)62(3,72)21-7-4-5-9-26-75-36-37-81-44-47-43-69(68-67-47)25-27-76-28-29-77-30-31-78-32-33-79-34-35-80-38-39-82(73,74)49-13-15-51(56(64)42-49)59(71)66-46-12-17-55(63)52(41-46)57-10-6-8-24-65-57/h6,8,10-13,15,17,24,41-43,48,50,53-54,58,70,72H,4-5,7,9,14,16,18-23,25-40,44H2,1-3H3,(H,66,71)/t48-,50-,53-,54-,58?,60-,61-,62?/m0/s1 QYTZZTIUVFAOPY-FFGRDAFISA-N 50574139 CHEMBL4861427 Smoothened homolog Mus musculus 20 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574139&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164615336 471064284 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421249 CC(O)(CCCCCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(c3)-c3ccccn3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C InChI=1S/C64H91Cl2N5O13S/c1-62-22-19-50(72)42-47(62)11-14-52-55-16-18-60(63(55,2)23-20-56(52)62)64(3,74)21-7-4-5-9-26-77-28-30-82-38-39-84-46-49-45-71(70-69-49)25-27-78-29-31-79-32-33-80-34-35-81-36-37-83-40-41-85(75,76)51-13-15-53(58(66)44-51)61(73)68-48-12-17-57(65)54(43-48)59-10-6-8-24-67-59/h6,8,10-13,15,17,24,43-45,50,52,55-56,60,72,74H,4-5,7,9,14,16,18-23,25-42,46H2,1-3H3,(H,68,73)/t50-,52-,55-,56-,60?,62-,63-,64?/m0/s1 RCFNLYYCRFFJSS-KZGVZANWSA-N 50574140 CHEMBL4848651 Smoothened homolog Mus musculus 20 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574140&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164613250 471064285 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421250 CC(O)(CCCCCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(c3)-c3ccccn3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C InChI=1S/C68H99Cl2N5O15S/c1-66-22-19-54(76)46-51(66)11-14-56-59-16-18-64(67(59,2)23-20-60(56)66)68(3,78)21-7-4-5-9-26-81-28-30-83-32-34-86-38-39-88-42-43-90-50-53-49-75(74-73-53)25-27-82-29-31-84-33-35-85-36-37-87-40-41-89-44-45-91(79,80)55-13-15-57(62(70)48-55)65(77)72-52-12-17-61(69)58(47-52)63-10-6-8-24-71-63/h6,8,10-13,15,17,24,47-49,54,56,59-60,64,76,78H,4-5,7,9,14,16,18-23,25-46,50H2,1-3H3,(H,72,77)/t54-,56-,59-,60-,64?,66-,67-,68?/m0/s1 DFPGTDJNXUHNAS-KMUOLSPLSA-N 50574141 CHEMBL4861638 Smoothened homolog Mus musculus 20 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574141&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164613669 471064286 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421251 CC(O)(CCCCCCOCCOCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(c3)-c3ccccn3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C InChI=1S/C72H107Cl2N5O17S/c1-70-22-19-58(80)50-55(70)11-14-60-63-16-18-68(71(63,2)23-20-64(60)70)72(3,82)21-7-4-5-9-26-85-28-30-87-32-34-89-36-37-91-38-39-92-42-43-94-46-47-96-54-57-53-79(78-77-57)25-27-86-29-31-88-33-35-90-40-41-93-44-45-95-48-49-97(83,84)59-13-15-61(66(74)52-59)69(81)76-56-12-17-65(73)62(51-56)67-10-6-8-24-75-67/h6,8,10-13,15,17,24,51-53,58,60,63-64,68,80,82H,4-5,7,9,14,16,18-23,25-50,54H2,1-3H3,(H,76,81)/t58-,60-,63-,64-,68?,70-,71-,72?/m0/s1 UVFQGWJDRIFIAL-FVSZOXBASA-N 50574142 CHEMBL4873360 Smoothened homolog Mus musculus 20 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574142&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164625339 471064287 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421252 CC(O)(CCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(c3)-c3ccccn3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C InChI=1S/C76H115Cl2N5O19S/c1-74-22-19-62(84)54-59(74)11-14-64-67-16-18-72(75(67,2)23-20-68(64)74)76(3,86)21-7-4-5-9-26-89-28-30-91-32-34-93-36-37-95-38-39-96-40-41-97-42-43-98-46-47-100-50-51-102-58-61-57-83(82-81-61)25-27-90-29-31-92-33-35-94-44-45-99-48-49-101-52-53-103(87,88)63-13-15-65(70(78)56-63)73(85)80-60-12-17-69(77)66(55-60)71-10-6-8-24-79-71/h6,8,10-13,15,17,24,55-57,62,64,67-68,72,84,86H,4-5,7,9,14,16,18-23,25-54,58H2,1-3H3,(H,80,85)/t62-,64-,67-,68-,72?,74-,75-,76?/m0/s1 XPAFHQSRIXFTAK-STYBBXLRSA-N 50574143 CHEMBL4870539 Smoothened homolog Mus musculus 20 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574143&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164621133 471064288 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421253 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24) BPQMGSKTAYIVFO-UHFFFAOYSA-N 50249522 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide::CHEMBL473417::VISMODEGIB Smoothened homolog Mus musculus 400 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249522&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search VIS 8HJE,5L7I 24776445 104103799 66903 CHEMBL473417 DB08828 6975 ZINC40899447 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51421254 Clc1ccc(NC(=O)c2ccc(cc2Cl)S(=O)(=O)CCOCCOCCOCCOCCOCCN=[N+]=[N-])cc1-c1ccccn1 InChI=1S/C30H35Cl2N5O8S/c31-27-7-4-23(21-26(27)29-3-1-2-8-34-29)36-30(38)25-6-5-24(22-28(25)32)46(39,40)20-19-45-18-17-44-16-15-43-14-13-42-12-11-41-10-9-35-37-33/h1-8,21-22H,9-20H2,(H,36,38) JPQGUEOXKPUDRV-UHFFFAOYSA-N 50574144 CHEMBL4866798 Smoothened homolog Mus musculus 3000 ChEMBL 10.1021/acs.jmedchem.1c01220 10.7270/Q2DJ5KFM 34492176 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H ShanghaiTech University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574144&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 164621785 471064289 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51457754 Cc1cnc(NC2CCOCC2)nc1Oc1ccc(NC(=O)NC2CCN(CC2)c2nnc(-c3ccnn3C)c(C)c2C)cc1 InChI=1S/C32H40N10O3/c1-20-19-33-31(35-25-12-17-44-18-13-25)38-30(20)45-26-7-5-23(6-8-26)36-32(43)37-24-10-15-42(16-11-24)29-22(3)21(2)28(39-40-29)27-9-14-34-41(27)4/h5-9,14,19,24-25H,10-13,15-18H2,1-4H3,(H,33,35,38)(H2,36,37,43) QKIRTBZHSZSQET-UHFFFAOYSA-N 50588427 CHEMBL5193213 Smoothened homolog Mus musculus 150 ChEMBL 10.7270/Q24M98HH 36270113 Zhang, JJ; Zhang, W; Zhang, L; Hu, M; Xu, QJ; Xu, Y China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50588427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50588427&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 163215596 482599279 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51457755 Cc1c(C)c(nnc1N1CCC(CC1)NC(=O)Nc1ccc(Oc2nc(NC3CCOCC3)ncc2C(F)(F)F)cc1)-c1ccnn1C InChI=1S/C32H37F3N10O3/c1-19-20(2)28(43-42-27(19)26-8-13-37-44(26)3)45-14-9-22(10-15-45)40-31(46)39-21-4-6-24(7-5-21)48-29-25(32(33,34)35)18-36-30(41-29)38-23-11-16-47-17-12-23/h4-8,13,18,22-23H,9-12,14-17H2,1-3H3,(H,36,38,41)(H2,39,40,46) MQWIJXYSCRSEOB-UHFFFAOYSA-N 50588428 CHEMBL5198527 Smoothened homolog Mus musculus 190 ChEMBL 10.7270/Q24M98HH 36270113 Zhang, JJ; Zhang, W; Zhang, L; Hu, M; Xu, QJ; Xu, Y China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50588428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50588428&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 163215590 482599280 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51457756 CN(C1CCN(CC1)c1nnc(-c2ccnn2C)c2ccccc12)C(=O)c1ccc(F)cc1C(F)(F)F InChI=1S/C26H24F4N6O/c1-34(25(37)20-8-7-16(27)15-21(20)26(28,29)30)17-10-13-36(14-11-17)24-19-6-4-3-5-18(19)23(32-33-24)22-9-12-31-35(22)2/h3-9,12,15,17H,10-11,13-14H2,1-2H3 SZBGQDXLNMELTB-UHFFFAOYSA-N 50545020 LY-2940680::LY2940680::Taladegib Smoothened homolog Mus musculus 1.2 ChEMBL 10.7270/Q24M98HH 36270113 Zhang, JJ; Zhang, W; Zhang, L; Hu, M; Xu, QJ; Xu, Y China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50545020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50545020&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 1KS 4JKV 49848070 442110831 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51457757 Cc1c(C)c(nnc1N1CCC(CC1)NC(=O)Nc1ccc(Oc2nc(Nc3cnn(C)c3)ncc2Cl)cc1)-c1ccnn1C InChI=1S/C30H33ClN12O2/c1-18-19(2)27(40-39-26(18)25-9-12-33-42(25)4)43-13-10-21(11-14-43)37-30(44)36-20-5-7-23(8-6-20)45-28-24(31)16-32-29(38-28)35-22-15-34-41(3)17-22/h5-9,12,15-17,21H,10-11,13-14H2,1-4H3,(H,32,35,38)(H2,36,37,44) CAJIMFSJCDQTCK-UHFFFAOYSA-N 50588429 CHEMBL5182673 Smoothened homolog Mus musculus 18 ChEMBL 10.7270/Q24M98HH 36270113 Zhang, JJ; Zhang, W; Zhang, L; Hu, M; Xu, QJ; Xu, Y China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50588429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50588429&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 163215591 482599281 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51457758 Cc1c(C)c(nnc1N1CCC(CC1)NC(=O)Nc1ccc(Oc2nc(NC3CCOCC3)ncc2Cl)cc1)-c1cnn(C)c1 InChI=1S/C31H37ClN10O3/c1-19-20(2)28(40-39-27(19)21-16-34-41(3)18-21)42-12-8-23(9-13-42)37-31(43)36-22-4-6-25(7-5-22)45-29-26(32)17-33-30(38-29)35-24-10-14-44-15-11-24/h4-7,16-18,23-24H,8-15H2,1-3H3,(H,33,35,38)(H2,36,37,43) UAHVYJLPWRAFAS-UHFFFAOYSA-N 50588430 CHEMBL5203629 Smoothened homolog Mus musculus 409 ChEMBL 10.7270/Q24M98HH 36270113 Zhang, JJ; Zhang, W; Zhang, L; Hu, M; Xu, QJ; Xu, Y China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50588430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50588430&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 168293439 482599282 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51457759 Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)NC(=O)Nc1ccc(Oc2nc(NC3CCOCC3)ncc2Cl)cc1 InChI=1S/C29H33ClN10O3/c1-39-18-19(16-32-39)25-6-7-26(38-37-25)40-12-8-21(9-13-40)35-29(41)34-20-2-4-23(5-3-20)43-27-24(30)17-31-28(36-27)33-22-10-14-42-15-11-22/h2-7,16-18,21-22H,8-15H2,1H3,(H,31,33,36)(H2,34,35,41) TYENRVJMVUOECY-UHFFFAOYSA-N 50588431 CHEMBL5188238 Smoothened homolog Mus musculus >1000 ChEMBL 10.7270/Q24M98HH 36270113 Zhang, JJ; Zhang, W; Zhang, L; Hu, M; Xu, QJ; Xu, Y China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50588431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50588431&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 168278997 482599283 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51457760 Cc1c(C)c(nnc1N1CCC(CC1)NC(=O)Nc1ccc(Sc2nc(NC3CCOCC3)ncc2Cl)cc1)-c1ccnn1C InChI=1S/C31H37ClN10O2S/c1-19-20(2)28(40-39-27(19)26-8-13-34-41(26)3)42-14-9-22(10-15-42)37-31(43)36-21-4-6-24(7-5-21)45-29-25(32)18-33-30(38-29)35-23-11-16-44-17-12-23/h4-8,13,18,22-23H,9-12,14-17H2,1-3H3,(H,33,35,38)(H2,36,37,43) FCZGBMYUPODVJB-UHFFFAOYSA-N 50588432 CHEMBL5194809 Smoothened homolog Mus musculus 18 ChEMBL 10.7270/Q24M98HH 36270113 Zhang, JJ; Zhang, W; Zhang, L; Hu, M; Xu, QJ; Xu, Y China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50588432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50588432&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 163215600 482599284 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51457761 Cc1c(C)c(nnc1N1CCC(CC1)NC(=O)Nc1ccc(Nc2nc(NC3CCOCC3)ncc2Cl)cc1)-c1ccnn1C InChI=1S/C31H38ClN11O2/c1-19-20(2)29(41-40-27(19)26-8-13-34-42(26)3)43-14-9-23(10-15-43)38-31(44)37-22-6-4-21(5-7-22)35-28-25(32)18-33-30(39-28)36-24-11-16-45-17-12-24/h4-8,13,18,23-24H,9-12,14-17H2,1-3H3,(H2,37,38,44)(H2,33,35,36,39) IKPIGLQHWUMAAZ-UHFFFAOYSA-N 50588433 CHEMBL5170628 Smoothened homolog Mus musculus 64 ChEMBL 10.7270/Q24M98HH 36270113 Zhang, JJ; Zhang, W; Zhang, L; Hu, M; Xu, QJ; Xu, Y China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50588433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50588433&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 163215598 482599285 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51457762 Cc1c(C)c(nnc1N1CCC(CC1)NC(=O)Nc1ccc(Sc2nc(NC3CCOCC3)ncc2C(F)(F)F)cc1)-c1ccnn1C InChI=1S/C32H37F3N10O2S/c1-19-20(2)28(43-42-27(19)26-8-13-37-44(26)3)45-14-9-22(10-15-45)40-31(46)39-21-4-6-24(7-5-21)48-29-25(32(33,34)35)18-36-30(41-29)38-23-11-16-47-17-12-23/h4-8,13,18,22-23H,9-12,14-17H2,1-3H3,(H,36,38,41)(H2,39,40,46) DJJWIPBFDUHILD-UHFFFAOYSA-N 50588434 CHEMBL5203874 Smoothened homolog Mus musculus 155 ChEMBL 10.7270/Q24M98HH 36270113 Zhang, JJ; Zhang, W; Zhang, L; Hu, M; Xu, QJ; Xu, Y China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50588434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50588434&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 163215599 482599286 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726 51456033 C[C@H]1CN(C[C@@H](C)N1)c1ccc(cn1)C(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1 InChI=1S/C25H25Cl2N5O2/c1-15-13-32(14-16(2)29-15)23-9-6-18(12-28-23)25(34)30-20-7-8-21(27)22(11-20)31-24(33)17-4-3-5-19(26)10-17/h3-12,15-16,29H,13-14H2,1-2H3,(H,30,34)(H,31,33)/t15-,16+ MUDSTASCLPLIBL-IYBDPMFKSA-N 50587738 CHEMBL5185871 Smoothened homolog Mus musculus 27 ChEMBL 10.7270/Q2TF029D 33636537 Wen, J; Hadden, MK University of Connecticut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50587738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004171&target=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50587738&enzyme=Smoothened+homolog&column=ki&startPg=0&Increment=50&submit=Search 16731271 482598590 1 MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF 4O9R,4QIM,4QIN,5L7D,5L7I,6O3C,7ZI0,8CXO Protein smoothened SMO_MOUSE P56726