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 162777 Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3 MOZPSIXKYJUTKI-UHFFFAOYSA-N 29525 3H-GR113808::CHEMBL518682::GR 113808::[3H] GR 113808::[3H]GR113808 B1 bradykinin receptor Rattus >10000 PDSP Ki 10.1111/j.1476-5381.1994.tb14064.x 10.7270/Q2BG2MHG 8012715 Gale, JD; Grossman, CJ; Whitehead, JW; Oxford, AW; Bunce, KT; Humphrey, PP Glaxo Group Research Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29525&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 119376 81054954 73380 CHEMBL518682 259 ZINC00598220 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50289373 C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnn(C)n1 InChI=1S/C24H20ClFN8O/c1-14(29-24-22(18(25)11-13-28-24)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)23-31-33-34(2)32-23/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1 OMBKLIDWTOUDSR-CQSZACIVSA-N 50157511 CHEMBL387638::N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-(2-methyl-2H-tetrazol-5-yl)-biphenyl-4-yl]-ethylamino}-pyridin-3-yl)-2-cyano-acetamide B1 bradykinin receptor Rattus 119 ChEMBL 10.1021/jm049394l 10.7270/Q22B8XHM 15588075 Kuduk, SD; Ng, C; Feng, DM; Wai, JM; Chang, RS; Harrell, CM; Murphy, KL; Ransom, RW; Reiss, D; Ivarsson, M; Mason, G; Boyce, S; Tang, C; Prueksaritanont, T; Freidinger, RM; Pettibone, DJ; Bock, MG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157511&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11225601 104044506 CHEMBL387638 ZINC36161742 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50289375 C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnnn1C InChI=1S/C24H20ClFN8O/c1-14(29-23-22(18(25)11-13-28-23)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24-31-32-33-34(24)2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1 LDODQIRPEQMWDH-CQSZACIVSA-N 50157514 CHEMBL221984::N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-(1-methyl-1H-tetrazol-5-yl)-biphenyl-4-yl]-ethylamino}-pyridin-3-yl)-2-cyano-acetamide B1 bradykinin receptor Rattus 12 ChEMBL 10.1021/jm049394l 10.7270/Q22B8XHM 15588075 Kuduk, SD; Ng, C; Feng, DM; Wai, JM; Chang, RS; Harrell, CM; Murphy, KL; Ransom, RW; Reiss, D; Ivarsson, M; Mason, G; Boyce, S; Tang, C; Prueksaritanont, T; Freidinger, RM; Pettibone, DJ; Bock, MG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157514&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11466010 104044509 CHEMBL221984 ZINC13586350 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50289377 C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nc(C)no1 InChI=1S/C25H20ClFN6O2/c1-14(30-24-23(19(26)11-13-29-24)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)25-31-15(2)33-35-25/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1 SCJWBYXWZGMQHS-CQSZACIVSA-N 50157509 CHEMBL222038::N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-(3-methyl-[1,2,4]oxadiazol-5-yl)-biphenyl-4-yl]-ethylamino}-pyridin-3-yl)-2-cyano-acetamide B1 bradykinin receptor Rattus 81 ChEMBL 10.1021/jm049394l 10.7270/Q22B8XHM 15588075 Kuduk, SD; Ng, C; Feng, DM; Wai, JM; Chang, RS; Harrell, CM; Murphy, KL; Ransom, RW; Reiss, D; Ivarsson, M; Mason, G; Boyce, S; Tang, C; Prueksaritanont, T; Freidinger, RM; Pettibone, DJ; Bock, MG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157509&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11363856 104044504 CHEMBL222038 ZINC13586348 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50289398 COC(=O)c1c(Cl)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N InChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(19(26)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-18(25)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1 ALKZGOAMUXQFJR-CQSZACIVSA-N 50157513 3-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridin-2-ylamino]-ethyl}-biphenyl-2-carboxylic acid methyl ester::CHEMBL221998 B1 bradykinin receptor Rattus 35.7 ChEMBL 10.1021/jm049394l 10.7270/Q22B8XHM 15588075 Kuduk, SD; Ng, C; Feng, DM; Wai, JM; Chang, RS; Harrell, CM; Murphy, KL; Ransom, RW; Reiss, D; Ivarsson, M; Mason, G; Boyce, S; Tang, C; Prueksaritanont, T; Freidinger, RM; Pettibone, DJ; Bock, MG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157513&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11386138 104044508 CHEMBL221998 ZINC28635740 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50289382 COC(=O)c1c(F)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N InChI=1S/C24H20ClFN4O3/c1-14(29-23-22(18(25)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1 MUTKNBYEVNZQBV-CQSZACIVSA-N 50157515 4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridin-2-ylamino]-ethyl}-3-fluoro-biphenyl-2-carboxylic acid methyl ester::CHEMBL225607 B1 bradykinin receptor Rattus 35.3 ChEMBL 10.1021/jm049394l 10.7270/Q22B8XHM 15588075 Kuduk, SD; Ng, C; Feng, DM; Wai, JM; Chang, RS; Harrell, CM; Murphy, KL; Ransom, RW; Reiss, D; Ivarsson, M; Mason, G; Boyce, S; Tang, C; Prueksaritanont, T; Freidinger, RM; Pettibone, DJ; Bock, MG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157515&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11442712 104044510 CHEMBL225607 ZINC36161732 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50287365 O=C(C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(cc1)C1=NCCN1 InChI=1S/C31H29N5O4S/c37-29(32-16-15-21-9-11-23(12-10-21)30-33-17-18-34-30)20-28-31(38)35-26-7-3-4-8-27(26)36(28)41(39,40)25-14-13-22-5-1-2-6-24(22)19-25/h1-14,19,28H,15-18,20H2,(H,32,37)(H,33,34)(H,35,38)/t28-/m1/s1 XYVOFUHXLRVWII-MUUNZHRXSA-N 50156446 CHEMBL359553::N-{2-[4-(4,5-Dihydro-1H-imidazol-2-yl)-phenyl]-ethyl}-2-[(R)-1-(naphthalene-2-sulfonyl)-3-oxo-1,2,3,4-tetrahydro-quinoxalin-2-yl]-acetamide B1 bradykinin receptor Rattus 34 ChEMBL 10.1016/j.bmcl.2004.09.074 10.7270/Q2V1248Q 15546726 Su, DS; Markowitz, MK; Murphy, KL; Wan, BL; Zrada, MM; Harrell, CM; O'Malley, SS; Hess, JF; Ransom, RW; Chang, RS; Wallace, MA; Raab, CE; Dean, DC; Pettibone, DJ; Freidinger, RM; Bock, MG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156446&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11757682 104043573 CHEMBL359553 ZINC28459013 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50372397 O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12 InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1 IQPWKAIEQBOLPJ-ROJLCIKYSA-N 50203200 (R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl)propanamide::(R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-7-(piperidin-1-ylmethyl)chroman-4-yl)propanamide::CHEMBL415848 B1 bradykinin receptor Rattus 4 ChEMBL 10.1021/jm061224g 10.7270/Q2KP81T0 17243660 D'Amico, DC; Aya, T; Human, J; Fotsch, C; Chen, JJ; Biswas, K; Riahi, B; Norman, MH; Willoughby, CA; Hungate, R; Reider, PJ; Biddlecome, G; Lester-Zeiner, D; Staden, CV; Johnson, E; Kamassah, A; Arik, L; Wang, J; Viswanadhan, VN; Groneberg, RD; Zhan, J; Suzuki, H; Toro, A; Mareska, DA; Clarke, DE; Harvey, DM; Burgess, LE; Laird, ER; Askew, B; Ng, G Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203200&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16108961 104082500 CHEMBL415848 664 ZINC14192185 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50371407 COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1 WZZIQHIQMWJNLU-LLVKDONJSA-N 50202412 3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-acetylamino)-cyclopropanecarbonyl]-amino}-ethyl)-biphenyl-2-carboxylic acid methyl ester::CHEMBL232943::methyl 3-chloro-3'-fluoro-4'-{(1R)-1-[({1-[(trifluoroacetyl)amino]cyclopropyl}carbonyl)amino]ethyl}-1,1'-biphenyl-2-carboxylate B1 bradykinin receptor Rattus 1646 ChEMBL 10.1021/jm061094b 10.7270/Q2X63MMQ 17228869 Kuduk, SD; Di Marco, CN; Chang, RK; Wood, MR; Schirripa, KM; Kim, JJ; Wai, JM; DiPardo, RM; Murphy, KL; Ransom, RW; Harrell, CM; Reiss, DR; Holahan, MA; Cook, J; Hess, JF; Sain, N; Urban, MO; Tang, C; Prueksaritanont, T; Pettibone, DJ; Bock, MG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202412&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16102897 104081985 CHEMBL232943 ZINC28822397 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50381105 Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F InChI=1S/C31H33F4N3O4S/c32-24-10-8-22(9-11-24)28(37-43(40,41)25-6-4-5-23(18-25)31(33,34)35)19-30(39)36-27-13-16-42-29-17-21(7-12-26(27)29)20-38-14-2-1-3-15-38/h4-12,17-18,27-28,37H,1-3,13-16,19-20H2,(H,36,39)/t27-,28-/m1/s1 DRRWMFNQXRLTHS-VSGBNLITSA-N 50209744 (R)-3-(4-fluorophenyl)-N-((R)-7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl)-3-(3-(trifluoromethyl)phenylsulfonamido)propanamide::(R)-3-(4-fluorophenyl)-N-((R)-7-(piperidin-1-ylmethyl)chroman-4-yl)-3-(3-(trifluoromethyl)phenylsulfonamido)-propanamide::CHEMBL227713 B1 bradykinin receptor Rattus 127 ChEMBL 10.1021/jm070055c 10.7270/Q2MS3SG2 17408249 Biswas, K; Li, A; Chen, JJ; D'Amico, DC; Fotsch, C; Han, N; Human, J; Liu, Q; Norman, MH; Riahi, B; Yuan, C; Suzuki, H; Mareska, DA; Zhan, J; Clarke, DE; Toro, A; Groneberg, RD; Burgess, LE; Lester-Zeiner, D; Biddlecome, G; Manning, BH; Arik, L; Dong, H; Huang, M; Kamassah, A; Loeloff, R; Sun, H; Hsieh, FY; Kumar, G; Ng, GY; Hungate, RW; Askew, BC; Johnson, E Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50209744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50209744&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16221282 104086468 CHEMBL227713 ZINC28643241 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50381112 Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F InChI=1S/C30H31F4N3O4S/c31-23-9-7-21(8-10-23)27(36-42(39,40)24-5-3-4-22(17-24)30(32,33)34)18-29(38)35-26-12-15-41-28-16-20(6-11-25(26)28)19-37-13-1-2-14-37/h3-11,16-17,26-27,36H,1-2,12-15,18-19H2,(H,35,38)/t26-,27-/m1/s1 RWSNBZPLWHLFHV-KAYWLYCHSA-N 50209720 (R)-3-(4-fluorophenyl)-N-((R)-7-(pyrrolidin-1-ylmethyl)chroman-4-yl)-3-(3-(trifluoromethyl)phenylsulfonamido)-propanamide::CHEMBL227600 B1 bradykinin receptor Rattus 151 ChEMBL 10.1021/jm070055c 10.7270/Q2MS3SG2 17408249 Biswas, K; Li, A; Chen, JJ; D'Amico, DC; Fotsch, C; Han, N; Human, J; Liu, Q; Norman, MH; Riahi, B; Yuan, C; Suzuki, H; Mareska, DA; Zhan, J; Clarke, DE; Toro, A; Groneberg, RD; Burgess, LE; Lester-Zeiner, D; Biddlecome, G; Manning, BH; Arik, L; Dong, H; Huang, M; Kamassah, A; Loeloff, R; Sun, H; Hsieh, FY; Kumar, G; Ng, GY; Hungate, RW; Askew, BC; Johnson, E Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50209720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50209720&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16221108 104086444 CHEMBL227600 ZINC28643140 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50381137 COCCNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1 InChI=1S/C29H31F4N3O5S/c1-40-14-12-34-18-19-5-10-24-25(11-13-41-27(24)15-19)35-28(37)17-26(20-6-8-22(30)9-7-20)36-42(38,39)23-4-2-3-21(16-23)29(31,32)33/h2-10,15-16,25-26,34,36H,11-14,17-18H2,1H3,(H,35,37)/t25-,26-/m1/s1 DOOVVKGISQQLQL-CLJLJLNGSA-N 50209726 (R)-3-(4-fluorophenyl)-N-((R)-7-((2-methoxyethylamino)methyl)chroman-4-yl)-3-(3-(trifluoromethyl)phenylsulfonamido)-propanamide::CHEMBL227870 B1 bradykinin receptor Rattus 208 ChEMBL 10.1021/jm070055c 10.7270/Q2MS3SG2 17408249 Biswas, K; Li, A; Chen, JJ; D'Amico, DC; Fotsch, C; Han, N; Human, J; Liu, Q; Norman, MH; Riahi, B; Yuan, C; Suzuki, H; Mareska, DA; Zhan, J; Clarke, DE; Toro, A; Groneberg, RD; Burgess, LE; Lester-Zeiner, D; Biddlecome, G; Manning, BH; Arik, L; Dong, H; Huang, M; Kamassah, A; Loeloff, R; Sun, H; Hsieh, FY; Kumar, G; Ng, GY; Hungate, RW; Askew, BC; Johnson, E Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50209726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50209726&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16221056 104086450 CHEMBL227870 ZINC28643133 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50429523 O=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)Nc1ccc(nc1)C1=NCCN1 InChI=1S/C26H25N7O2/c34-23(31-19-10-11-21(30-16-19)24-27-14-15-28-24)12-13-29-26(35)25-32-20-8-4-5-9-22(20)33(25)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,28)(H,29,35)(H,31,34) DNIPCQILANYFNK-UHFFFAOYSA-N 50264141 1-Benzyl-1H-benzoimidazole-2-carboxylic acid {2-[6-(4,5-dihydro-1H-imidazol-2-yl)-pyridin-3-ylcarbamoyl]-ethyl}-amide::CHEMBL491198 B1 bradykinin receptor Rattus 0.8 ChEMBL 10.1016/j.bmcl.2008.08.014 10.7270/Q2NG4QDX 18752949 Guo, Q; Chandrasekhar, J; Ihle, D; Wustrow, DJ; Chenard, BL; Krause, JE; Hutchison, A; Alderman, D; Cheng, C; Cortright, D; Broom, D; Kershaw, MT; Simmermacher-Mayer, J; Peng, Y; Hodgetts, KJ Neurogen Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264141&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 25105469 104112247 CHEMBL491198 ZINC45506235 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50429527 CCCN(CC(=O)N1CCN(CC1)C1CCN(C)CC1)C(=O)c1nc2ccccc2n1Cc1ccccc1 InChI=1S/C30H40N6O2/c1-3-15-35(23-28(37)34-20-18-33(19-21-34)25-13-16-32(2)17-14-25)30(38)29-31-26-11-7-8-12-27(26)36(29)22-24-9-5-4-6-10-24/h4-12,25H,3,13-23H2,1-2H3 ZCMVVJGHNMLLND-UHFFFAOYSA-N 50264370 1-benzyl-N-(2-(4-(1-methylpiperidin-4-yl)piperazin-1-yl)-2-oxoethyl)-N-propyl-1H-benzo[d]imidazole-2-carboxamide::CHEMBL490619 B1 bradykinin receptor Rattus 23 ChEMBL 10.1016/j.bmcl.2008.08.014 10.7270/Q2NG4QDX 18752949 Guo, Q; Chandrasekhar, J; Ihle, D; Wustrow, DJ; Chenard, BL; Krause, JE; Hutchison, A; Alderman, D; Cheng, C; Cortright, D; Broom, D; Kershaw, MT; Simmermacher-Mayer, J; Peng, Y; Hodgetts, KJ Neurogen Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264370&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44579830 104112397 CHEMBL490619 ZINC40949303 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50429576 COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1 WZZIQHIQMWJNLU-LLVKDONJSA-N 50202412 3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-acetylamino)-cyclopropanecarbonyl]-amino}-ethyl)-biphenyl-2-carboxylic acid methyl ester::CHEMBL232943::methyl 3-chloro-3'-fluoro-4'-{(1R)-1-[({1-[(trifluoroacetyl)amino]cyclopropyl}carbonyl)amino]ethyl}-1,1'-biphenyl-2-carboxylate B1 bradykinin receptor Rattus 1600 ChEMBL 10.1016/j.bmcl.2008.08.014 10.7270/Q2NG4QDX 18752949 Guo, Q; Chandrasekhar, J; Ihle, D; Wustrow, DJ; Chenard, BL; Krause, JE; Hutchison, A; Alderman, D; Cheng, C; Cortright, D; Broom, D; Kershaw, MT; Simmermacher-Mayer, J; Peng, Y; Hodgetts, KJ Neurogen Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202412&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16102897 104081985 CHEMBL232943 ZINC28822397 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50429577 CCCN1c2ccccc2C(CCc2ccccc2)=NC(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45) VLIFIGMDNURHMV-UHFFFAOYSA-N 50127438 1-(2-Oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-[4-(4-pyridin-4-yl-piperazin-1-yl)-phenyl]-urea::1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(4-(4-(pyridin-4-yl)piperazin-1-yl)phenyl)urea::CHEMBL299832 B1 bradykinin receptor Rattus 0.92 ChEMBL 10.1016/j.bmcl.2008.08.014 10.7270/Q2NG4QDX 18752949 Guo, Q; Chandrasekhar, J; Ihle, D; Wustrow, DJ; Chenard, BL; Krause, JE; Hutchison, A; Alderman, D; Cheng, C; Cortright, D; Broom, D; Kershaw, MT; Simmermacher-Mayer, J; Peng, Y; Hodgetts, KJ Neurogen Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127438&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9894973 104019329 CHEMBL299832 ZINC53113089 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50429578 O=C(CNC(=O)c1nc2ccccc2n1Cc1ccccc1)N1CCN(CC1)c1ccncc1 InChI=1S/C26H26N6O2/c33-24(31-16-14-30(15-17-31)21-10-12-27-13-11-21)18-28-26(34)25-29-22-8-4-5-9-23(22)32(25)19-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,28,34) PYWXAEINDPWOMN-UHFFFAOYSA-N 50264296 1-benzyl-N-(2-oxo-2-(4-(pyridin-4-yl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazole-2-carboxamide::CHEMBL491219 B1 bradykinin receptor Rattus 417 ChEMBL 10.1016/j.bmcl.2008.08.014 10.7270/Q2NG4QDX 18752949 Guo, Q; Chandrasekhar, J; Ihle, D; Wustrow, DJ; Chenard, BL; Krause, JE; Hutchison, A; Alderman, D; Cheng, C; Cortright, D; Broom, D; Kershaw, MT; Simmermacher-Mayer, J; Peng, Y; Hodgetts, KJ Neurogen Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264296&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 24946265 104112343 CHEMBL491219 ZINC40950132 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50429579 CN(Cc1ccc(cc1)C1=NCCN1)C(=O)CNC(=O)c1nc2ccccc2n1Cc1ccccc1 InChI=1S/C28H28N6O2/c1-33(18-21-11-13-22(14-12-21)26-29-15-16-30-26)25(35)17-31-28(36)27-32-23-9-5-6-10-24(23)34(27)19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,29,30)(H,31,36) SHKZPYVPIUETPG-UHFFFAOYSA-N 50264298 CHEMBL490201::N-(2-((4-(4,5-dihydro-1H-imidazol-2-yl)benzyl)(methyl)amino)-2-oxoethyl)-1-benzyl-1H-benzo[d]imidazole-2-carboxamide B1 bradykinin receptor Rattus 155 ChEMBL 10.1016/j.bmcl.2008.08.014 10.7270/Q2NG4QDX 18752949 Guo, Q; Chandrasekhar, J; Ihle, D; Wustrow, DJ; Chenard, BL; Krause, JE; Hutchison, A; Alderman, D; Cheng, C; Cortright, D; Broom, D; Kershaw, MT; Simmermacher-Mayer, J; Peng, Y; Hodgetts, KJ Neurogen Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264298&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44579795 104112345 CHEMBL490201 ZINC40950654 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50429580 CCN(CC(=O)N1CCN(CC1)C1CCN(C)CC1)C(=O)c1nc2ccccc2n1Cc1ccccc1 InChI=1S/C29H38N6O2/c1-3-32(22-27(36)34-19-17-33(18-20-34)24-13-15-31(2)16-14-24)29(37)28-30-25-11-7-8-12-26(25)35(28)21-23-9-5-4-6-10-23/h4-12,24H,3,13-22H2,1-2H3 HBBWAOOGJLRAAQ-UHFFFAOYSA-N 50264368 1-benzyl-N-ethyl-N-(2-(4-(1-methylpiperidin-4-yl)piperazin-1-yl)-2-oxoethyl)-1H-benzo[d]imidazole-2-carboxamide::CHEMBL524126 B1 bradykinin receptor Rattus 15 ChEMBL 10.1016/j.bmcl.2008.08.014 10.7270/Q2NG4QDX 18752949 Guo, Q; Chandrasekhar, J; Ihle, D; Wustrow, DJ; Chenard, BL; Krause, JE; Hutchison, A; Alderman, D; Cheng, C; Cortright, D; Broom, D; Kershaw, MT; Simmermacher-Mayer, J; Peng, Y; Hodgetts, KJ Neurogen Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264368&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44579828 104112395 CHEMBL524126 ZINC40422898 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50429581 CCN(CC(=O)N(C)Cc1ccc(cc1)C1=NCCN1)C(=O)c1nc2ccccc2n1Cc1ccccc1 InChI=1S/C30H32N6O2/c1-3-35(21-27(37)34(2)19-23-13-15-24(16-14-23)28-31-17-18-32-28)30(38)29-33-25-11-7-8-12-26(25)36(29)20-22-9-5-4-6-10-22/h4-16H,3,17-21H2,1-2H3,(H,31,32) IVAABIRXQVPZLC-UHFFFAOYSA-N 50264140 CHEMBL492211::N-(2-((4-(4,5-dihydro-1H-imidazol-2-yl)benzyl)(methyl)amino)-2-oxoethyl)-1-benzyl-N-ethyl-1H-benzo[d]imidazole-2-carboxamide B1 bradykinin receptor Rattus 345 ChEMBL 10.1016/j.bmcl.2008.08.014 10.7270/Q2NG4QDX 18752949 Guo, Q; Chandrasekhar, J; Ihle, D; Wustrow, DJ; Chenard, BL; Krause, JE; Hutchison, A; Alderman, D; Cheng, C; Cortright, D; Broom, D; Kershaw, MT; Simmermacher-Mayer, J; Peng, Y; Hodgetts, KJ Neurogen Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264140&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44579652 104112246 CHEMBL492211 ZINC40422882 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50429582 CCCN(CC(=O)N1CCN(CC1)c1ccncc1)C(=O)c1nc2ccccc2n1Cc1ccccc1 InChI=1S/C29H32N6O2/c1-2-16-34(22-27(36)33-19-17-32(18-20-33)24-12-14-30-15-13-24)29(37)28-31-25-10-6-7-11-26(25)35(28)21-23-8-4-3-5-9-23/h3-15H,2,16-22H2,1H3 ILAQQJWJVACKMN-UHFFFAOYSA-N 50264369 1-benzyl-N-(2-oxo-2-(4-(pyridin-4-yl)piperazin-1-yl)ethyl)-N-propyl-1H-benzo[d]imidazole-2-carboxamide::CHEMBL490618 B1 bradykinin receptor Rattus 396 ChEMBL 10.1016/j.bmcl.2008.08.014 10.7270/Q2NG4QDX 18752949 Guo, Q; Chandrasekhar, J; Ihle, D; Wustrow, DJ; Chenard, BL; Krause, JE; Hutchison, A; Alderman, D; Cheng, C; Cortright, D; Broom, D; Kershaw, MT; Simmermacher-Mayer, J; Peng, Y; Hodgetts, KJ Neurogen Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264369&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44579829 104112396 CHEMBL490618 ZINC40949301 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50484821 NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C42H72N10O8/c43-24-14-13-20-31(44)37(55)50-32(21-16-26-48-42(45)46)38(56)47-25-15-8-6-4-2-1-3-5-7-12-23-36(54)49-34(29-53)40(58)52-27-17-22-35(52)39(57)51-33(41(59)60)28-30-18-10-9-11-19-30/h9-11,18-19,31-35,53H,1-8,12-17,20-29,43-44H2,(H,47,56)(H,49,54)(H,50,55)(H,51,57)(H,59,60)(H4,45,46,48)/t31-,32-,33-,34-,35-/m0/s1 YXJFPVFZYQAHPA-ZZTWKDBPSA-N 50290545 (S)-2-{[(S)-1-((S)-2-{13-[(S)-2-((S)-2,6-Diamino-hexanoylamino)-5-guanidino-pentanoylamino]-tridecanoylamino}-3-hydroxy-propionyl)-pyrrolidine-2-carbonyl]-amino}-3-phenyl-propionic acid::CHEMBL315388 B1 bradykinin receptor Rattus 980 ChEMBL 10.1016/S0960-894X(97)10042-7 10.7270/Q2BC3ZJD Tancredi, M; Galoppini, C; Meini, S; Quartara, L; Maggi, CA; Rovero, P TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50290545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50290545&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44323260 104132097 CHEMBL315388 ZINC95610400 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50599188 Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12 InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1 HYJYRDCPGUEYND-XMMPIXPASA-N 50156455 (R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-2-(1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide::2-[(R)-1-(3,4-Dichloro-benzenesulfonyl)-3-oxo-1,2,3,4-tetrahydro-quinoxalin-2-yl]-N-{2-[4-(4,5-dihydro-1H-imidazol-2-yl)-phenyl]-ethyl}-acetamide::CHEMBL189123 B1 bradykinin receptor Rattus 163.5 ChEMBL 10.1021/jm1000776 10.7270/Q289162Z 20369879 Huang, H; Player, MR Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156455&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9916412 104043582 CHEMBL189123 665 ZINC03917693 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50599201 CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)/t34-/m0/s1 VLIFIGMDNURHMV-UMSFTDKQSA-N 50326709 (R)-1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(4-(4-(pyridin-4-yl)piperazin-1-yl)phenyl)urea::CHEMBL1253497 B1 bradykinin receptor Rattus 2.8 ChEMBL 10.1021/jm1000776 10.7270/Q289162Z 20369879 Huang, H; Player, MR Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326709&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10031511 123105824 CHEMBL1253497 ZINC53113089 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50599202 CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)/t34-/m0/s1 VLIFIGMDNURHMV-UMSFTDKQSA-N 50326709 (R)-1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(4-(4-(pyridin-4-yl)piperazin-1-yl)phenyl)urea::CHEMBL1253497 B1 bradykinin receptor Rattus 0.92 ChEMBL 10.1021/jm1000776 10.7270/Q289162Z 20369879 Huang, H; Player, MR Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326709&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10031511 123105824 CHEMBL1253497 ZINC53113089 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50811772 CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O InChI=1S/C37H46N6O2/c1-2-23-43-34-14-8-7-13-32(34)33(20-15-28-11-5-3-6-12-28)39-35(36(43)44)40-37(45)38-29-16-18-30(19-17-29)42-26-21-31(22-27-42)41-24-9-4-10-25-41/h3,5-8,11-14,16-19,31,35H,2,4,9-10,15,20-27H2,1H3,(H2,38,40,45)/t35-/m0/s1 WIYQBPUJBIMONN-DHUJRADRSA-N 50370213 CHEMBL1744083 B1 bradykinin receptor Rattus 7.25 ChEMBL 10.1021/jm034020y 10.7270/Q29P32C6 12723943 Wood, MR; Kim, JJ; Han, W; Dorsey, BD; Homnick, CF; DiPardo, RM; Kuduk, SD; MacNeil, T; Murphy, KL; Lis, EV; Ransom, RW; Stump, GL; Lynch, JJ; O'Malley, SS; Miller, PJ; Chen, TB; Harrell, CM; Chang, RS; Sandhu, P; Ellis, JD; Bondiskey, PJ; Pettibone, DJ; Freidinger, RM; Bock, MG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370213&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11050306 160849315 CHEMBL1744083 ZINC29480787 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50811776 CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O)C1CCCCC1 InChI=1S/C34H41N7O2/c1-2-20-41-30-11-7-6-10-29(30)31(25-8-4-3-5-9-25)37-32(33(41)42)38-34(43)36-26-12-14-27(15-13-26)39-21-23-40(24-22-39)28-16-18-35-19-17-28/h6-7,10-19,25,32H,2-5,8-9,20-24H2,1H3,(H2,36,38,43)/t32-/m0/s1 QLODTSDJKHVWDH-YTTGMZPUSA-N 50370216 CHEMBL1744084 B1 bradykinin receptor Rattus 24.2 ChEMBL 10.1021/jm034020y 10.7270/Q29P32C6 12723943 Wood, MR; Kim, JJ; Han, W; Dorsey, BD; Homnick, CF; DiPardo, RM; Kuduk, SD; MacNeil, T; Murphy, KL; Lis, EV; Ransom, RW; Stump, GL; Lynch, JJ; O'Malley, SS; Miller, PJ; Chen, TB; Harrell, CM; Chang, RS; Sandhu, P; Ellis, JD; Bondiskey, PJ; Pettibone, DJ; Freidinger, RM; Bock, MG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370216&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11017305 160849318 CHEMBL1744084 ZINC29474625 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50811782 CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)c1ccc(C)cc1 InChI=1S/C36H44N6O2/c1-3-21-42-32-10-6-5-9-31(32)33(27-13-11-26(2)12-14-27)38-34(35(42)43)39-36(44)37-28-15-17-29(18-16-28)41-24-19-30(20-25-41)40-22-7-4-8-23-40/h5-6,9-18,30,34H,3-4,7-8,19-25H2,1-2H3,(H2,37,39,44)/t34-/m0/s1 ZOTHFGCMZWDGAH-UMSFTDKQSA-N 50370217 CHEMBL1744085 B1 bradykinin receptor Rattus 27 ChEMBL 10.1021/jm034020y 10.7270/Q29P32C6 12723943 Wood, MR; Kim, JJ; Han, W; Dorsey, BD; Homnick, CF; DiPardo, RM; Kuduk, SD; MacNeil, T; Murphy, KL; Lis, EV; Ransom, RW; Stump, GL; Lynch, JJ; O'Malley, SS; Miller, PJ; Chen, TB; Harrell, CM; Chang, RS; Sandhu, P; Ellis, JD; Bondiskey, PJ; Pettibone, DJ; Freidinger, RM; Bock, MG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370217&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11039234 160849319 CHEMBL1744085 ZINC29484123 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50811787 CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)C1CCCCC1 InChI=1S/C35H48N6O2/c1-2-21-41-31-14-8-7-13-30(31)32(26-11-5-3-6-12-26)37-33(34(41)42)38-35(43)36-27-15-17-28(18-16-27)40-24-19-29(20-25-40)39-22-9-4-10-23-39/h7-8,13-18,26,29,33H,2-6,9-12,19-25H2,1H3,(H2,36,38,43)/t33-/m0/s1 BGQKMAPKUALMFZ-XIFFEERXSA-N 50370215 CHEMBL1744082 B1 bradykinin receptor Rattus 59 ChEMBL 10.1021/jm034020y 10.7270/Q29P32C6 12723943 Wood, MR; Kim, JJ; Han, W; Dorsey, BD; Homnick, CF; DiPardo, RM; Kuduk, SD; MacNeil, T; Murphy, KL; Lis, EV; Ransom, RW; Stump, GL; Lynch, JJ; O'Malley, SS; Miller, PJ; Chen, TB; Harrell, CM; Chang, RS; Sandhu, P; Ellis, JD; Bondiskey, PJ; Pettibone, DJ; Freidinger, RM; Bock, MG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370215&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11071992 160849317 CHEMBL1744082 ZINC29480471 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50811791 CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O InChI=1S/C37H46N6O2/c1-2-23-43-34-14-8-7-13-32(34)33(20-15-28-11-5-3-6-12-28)39-35(36(43)44)40-37(45)38-29-16-18-30(19-17-29)42-26-21-31(22-27-42)41-24-9-4-10-25-41/h3,5-8,11-14,16-19,31,35H,2,4,9-10,15,20-27H2,1H3,(H2,38,40,45)/t35-/m0/s1 WIYQBPUJBIMONN-DHUJRADRSA-N 50370213 CHEMBL1744083 B1 bradykinin receptor Rattus 1.97 ChEMBL 10.1021/jm034020y 10.7270/Q29P32C6 12723943 Wood, MR; Kim, JJ; Han, W; Dorsey, BD; Homnick, CF; DiPardo, RM; Kuduk, SD; MacNeil, T; Murphy, KL; Lis, EV; Ransom, RW; Stump, GL; Lynch, JJ; O'Malley, SS; Miller, PJ; Chen, TB; Harrell, CM; Chang, RS; Sandhu, P; Ellis, JD; Bondiskey, PJ; Pettibone, DJ; Freidinger, RM; Bock, MG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370213&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11050306 160849315 CHEMBL1744083 ZINC29480787 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50811796 CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)C1CCCCC1 InChI=1S/C35H48N6O2/c1-2-21-41-31-14-8-7-13-30(31)32(26-11-5-3-6-12-26)37-33(34(41)42)38-35(43)36-27-15-17-28(18-16-27)40-24-19-29(20-25-40)39-22-9-4-10-23-39/h7-8,13-18,26,29,33H,2-6,9-12,19-25H2,1H3,(H2,36,38,43)/t33-/m0/s1 BGQKMAPKUALMFZ-XIFFEERXSA-N 50370215 CHEMBL1744082 B1 bradykinin receptor Rattus 18.3 ChEMBL 10.1021/jm034020y 10.7270/Q29P32C6 12723943 Wood, MR; Kim, JJ; Han, W; Dorsey, BD; Homnick, CF; DiPardo, RM; Kuduk, SD; MacNeil, T; Murphy, KL; Lis, EV; Ransom, RW; Stump, GL; Lynch, JJ; O'Malley, SS; Miller, PJ; Chen, TB; Harrell, CM; Chang, RS; Sandhu, P; Ellis, JD; Bondiskey, PJ; Pettibone, DJ; Freidinger, RM; Bock, MG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370215&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11071992 160849317 CHEMBL1744082 ZINC29480471 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50811798 CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)c1ccc(C)cc1 InChI=1S/C36H44N6O2/c1-3-21-42-32-10-6-5-9-31(32)33(27-13-11-26(2)12-14-27)38-34(35(42)43)39-36(44)37-28-15-17-29(18-16-28)41-24-19-30(20-25-41)40-22-7-4-8-23-40/h5-6,9-18,30,34H,3-4,7-8,19-25H2,1-2H3,(H2,37,39,44)/t34-/m0/s1 ZOTHFGCMZWDGAH-UMSFTDKQSA-N 50370217 CHEMBL1744085 B1 bradykinin receptor Rattus 17 ChEMBL 10.1021/jm034020y 10.7270/Q29P32C6 12723943 Wood, MR; Kim, JJ; Han, W; Dorsey, BD; Homnick, CF; DiPardo, RM; Kuduk, SD; MacNeil, T; Murphy, KL; Lis, EV; Ransom, RW; Stump, GL; Lynch, JJ; O'Malley, SS; Miller, PJ; Chen, TB; Harrell, CM; Chang, RS; Sandhu, P; Ellis, JD; Bondiskey, PJ; Pettibone, DJ; Freidinger, RM; Bock, MG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370217&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11039234 160849319 CHEMBL1744085 ZINC29484123 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50854227 C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 InChI=1S/C20H16ClF5N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)33-30-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1 RVBQIDXHOLKEKQ-LILOVNGRSA-N 50229295 (R)-N-((R)-1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)-3-fluoropyridin-2-yl)ethyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide::CHEMBL402831 B1 bradykinin receptor Rattus 2.18 ChEMBL 10.1016/j.bmcl.2007.11.050 10.7270/Q2GM8849 18061443 Wood, MR; Schirripa, KM; Kim, JJ; Kuduk, SD; Chang, RK; Di Marco, CN; DiPardo, RM; Wan, BL; Murphy, KL; Ransom, RW; Chang, RS; Holahan, MA; Cook, JJ; Lemaire, W; Mosser, SD; Bednar, RA; Tang, C; Prueksaritanont, T; Wallace, AA; Mei, Q; Yu, J; Bohn, DL; Clayton, FC; Adarayn, ED; Sitko, GR; Leonard, YM; Freidinger, RM; Pettibone, DJ; Bock, MG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229295&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16726096 104098122 CHEMBL402831 ZINC29128429 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50929718 COc1cccc2C(CC(=O)NCCc3ccc(cc3)C3=NCCN3)N(c3ccccc3-c12)S(=O)(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C33H30Cl2N4O4S/c1-43-30-8-4-6-25-29(20-31(40)36-16-15-21-9-11-22(12-10-21)33-37-17-18-38-33)39(28-7-3-2-5-24(28)32(25)30)44(41,42)23-13-14-26(34)27(35)19-23/h2-14,19,29H,15-18,20H2,1H3,(H,36,40)(H,37,38) XPZQCKNZYVHICG-UHFFFAOYSA-N 50381265 CHEMBL2018873 B1 bradykinin receptor Rattus 21 ChEMBL 10.1016/j.bmcl.2012.03.065 10.7270/Q21Z45F0 22483585 Eles, J; Beke, G; Vago, I; Bozo, E; Huszar, J; Tarcsay, A; Kolok, S; Schmidt, E; Vastag, M; Hornok, K; Farkas, S; Domany, G; Keseru, GM Gedeon Richter Plc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381265&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 23627521 160860348 CHEMBL2018873 ZINC68087529 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50929719 Fc1cc(F)c-2c(c1)C(CC(=O)NCCc1ccc(cc1)C1=NCCN1)N(c1ccccc-21)S(=O)(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C32H26Cl2F2N4O3S/c33-25-10-9-22(17-26(25)34)44(42,43)40-28-4-2-1-3-23(28)31-24(15-21(35)16-27(31)36)29(40)18-30(41)37-12-11-19-5-7-20(8-6-19)32-38-13-14-39-32/h1-10,15-17,29H,11-14,18H2,(H,37,41)(H,38,39) DWYMCXLNHQBOCL-UHFFFAOYSA-N 50381266 CHEMBL2018872 B1 bradykinin receptor Rattus 42 ChEMBL 10.1016/j.bmcl.2012.03.065 10.7270/Q21Z45F0 22483585 Eles, J; Beke, G; Vago, I; Bozo, E; Huszar, J; Tarcsay, A; Kolok, S; Schmidt, E; Vastag, M; Hornok, K; Farkas, S; Domany, G; Keseru, GM Gedeon Richter Plc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381266&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 23627523 160860349 CHEMBL2018872 ZINC68087531 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50929720 Fc1ccc-2c(c1)C(CC(=O)NCCc1ccc(cc1)C1=NCCN1)N(c1ccccc-21)S(=O)(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C32H27Cl2FN4O3S/c33-27-12-10-23(18-28(27)34)43(41,42)39-29-4-2-1-3-25(29)24-11-9-22(35)17-26(24)30(39)19-31(40)36-14-13-20-5-7-21(8-6-20)32-37-15-16-38-32/h1-12,17-18,30H,13-16,19H2,(H,36,40)(H,37,38) QQTTXXWIKKBHGS-UHFFFAOYSA-N 50381267 CHEMBL2018871 B1 bradykinin receptor Rattus 45 ChEMBL 10.1016/j.bmcl.2012.03.065 10.7270/Q21Z45F0 22483585 Eles, J; Beke, G; Vago, I; Bozo, E; Huszar, J; Tarcsay, A; Kolok, S; Schmidt, E; Vastag, M; Hornok, K; Farkas, S; Domany, G; Keseru, GM Gedeon Richter Plc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381267&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16202227 160860350 CHEMBL2018871 ZINC68087523 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50929721 COc1ccc(cc1)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 InChI=1S/C33H32N4O4S/c1-41-25-14-16-26(17-15-25)42(39,40)37-30-9-5-4-7-28(30)27-6-2-3-8-29(27)31(37)22-32(38)34-19-18-23-10-12-24(13-11-23)33-35-20-21-36-33/h2-17,31H,18-22H2,1H3,(H,34,38)(H,35,36) ROVKFWWHHOBTHV-UHFFFAOYSA-N 50381268 CHEMBL2018870 B1 bradykinin receptor Rattus 81 ChEMBL 10.1016/j.bmcl.2012.03.065 10.7270/Q21Z45F0 22483585 Eles, J; Beke, G; Vago, I; Bozo, E; Huszar, J; Tarcsay, A; Kolok, S; Schmidt, E; Vastag, M; Hornok, K; Farkas, S; Domany, G; Keseru, GM Gedeon Richter Plc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381268&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 23627520 160860351 CHEMBL2018870 ZINC84632369 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50929722 Cc1ccc(cc1)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 InChI=1S/C33H32N4O3S/c1-23-10-16-26(17-11-23)41(39,40)37-30-9-5-4-7-28(30)27-6-2-3-8-29(27)31(37)22-32(38)34-19-18-24-12-14-25(15-13-24)33-35-20-21-36-33/h2-17,31H,18-22H2,1H3,(H,34,38)(H,35,36) NAXULJKEABEWJM-UHFFFAOYSA-N 50381269 CHEMBL2018869 B1 bradykinin receptor Rattus 52 ChEMBL 10.1016/j.bmcl.2012.03.065 10.7270/Q21Z45F0 22483585 Eles, J; Beke, G; Vago, I; Bozo, E; Huszar, J; Tarcsay, A; Kolok, S; Schmidt, E; Vastag, M; Hornok, K; Farkas, S; Domany, G; Keseru, GM Gedeon Richter Plc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381269&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 23627458 160860352 CHEMBL2018869 ZINC43169186 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50929723 Cc1cc(C)c(cc1C)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 InChI=1S/C35H36N4O3S/c1-23-20-25(3)33(21-24(23)2)43(41,42)39-31-11-7-6-9-29(31)28-8-4-5-10-30(28)32(39)22-34(40)36-17-16-26-12-14-27(15-13-26)35-37-18-19-38-35/h4-15,20-21,32H,16-19,22H2,1-3H3,(H,36,40)(H,37,38) FJYKKDSINJTGDP-UHFFFAOYSA-N 50381270 CHEMBL2018868 B1 bradykinin receptor Rattus 21 ChEMBL 10.1016/j.bmcl.2012.03.065 10.7270/Q21Z45F0 22483585 Eles, J; Beke, G; Vago, I; Bozo, E; Huszar, J; Tarcsay, A; Kolok, S; Schmidt, E; Vastag, M; Hornok, K; Farkas, S; Domany, G; Keseru, GM Gedeon Richter Plc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381270&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 70691814 160860353 CHEMBL2018868 ZINC84634873 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50929724 Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 InChI=1S/C32H28Cl2N4O3S/c33-27-14-13-23(19-28(27)34)42(40,41)38-29-8-4-3-6-25(29)24-5-1-2-7-26(24)30(38)20-31(39)35-16-15-21-9-11-22(12-10-21)32-36-17-18-37-32/h1-14,19,30H,15-18,20H2,(H,35,39)(H,36,37) JBWUFPJPOHNINP-UHFFFAOYSA-N 50381271 CHEMBL2018867 B1 bradykinin receptor Rattus 28 ChEMBL 10.1016/j.bmcl.2012.03.065 10.7270/Q21Z45F0 22483585 Eles, J; Beke, G; Vago, I; Bozo, E; Huszar, J; Tarcsay, A; Kolok, S; Schmidt, E; Vastag, M; Hornok, K; Farkas, S; Domany, G; Keseru, GM Gedeon Richter Plc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381271&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 23627396 160860354 CHEMBL2018867 ZINC84634868 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50929745 COc1cccc2C(CC(=O)N[C@H]3CC[C@H](CCN4CCCC4)CC3)N(c3ccccc3-c12)S(=O)(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C34H39Cl2N3O4S/c1-43-32-10-6-8-27-31(22-33(40)37-24-13-11-23(12-14-24)17-20-38-18-4-5-19-38)39(30-9-3-2-7-26(30)34(27)32)44(41,42)25-15-16-28(35)29(36)21-25/h2-3,6-10,15-16,21,23-24,31H,4-5,11-14,17-20,22H2,1H3,(H,37,40)/t23-,24-,31? HPUKFHWFJDSVSH-SWZCCTPQSA-N 50381273 CHEMBL2018874 B1 bradykinin receptor Rattus 43 ChEMBL 10.1016/j.bmcl.2012.03.065 10.7270/Q21Z45F0 22483585 Eles, J; Beke, G; Vago, I; Bozo, E; Huszar, J; Tarcsay, A; Kolok, S; Schmidt, E; Vastag, M; Hornok, K; Farkas, S; Domany, G; Keseru, GM Gedeon Richter Plc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381273&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 23627583 160860356 CHEMBL2018874 ZINC68087533 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50996567 NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1C(C[C@@H]2CCCC[C@H]12)C(O)=O InChI=1S/C64H95N15O13/c65-23-9-7-18-44(67)55(83)72-45(19-8-10-24-66)56(84)73-46(20-11-25-70-64(68)69)60(88)77-26-12-22-49(77)61(89)78-34-43(81)32-50(78)58(86)71-33-52(82)75-53(41-27-36-13-1-2-14-37(36)28-41)59(87)74-47(35-80)57(85)76-54(42-29-38-15-3-4-16-39(38)30-42)62(90)79-48-21-6-5-17-40(48)31-51(79)63(91)92/h1-4,13-16,40-51,53-54,80-81H,5-12,17-35,65-67H2,(H,71,86)(H,72,83)(H,73,84)(H,74,87)(H,75,82)(H,76,85)(H,91,92)(H4,68,69,70)/t40-,43?,44-,45-,46-,47-,48-,49-,50-,51?,53-,54+/m0/s1 AGNBGVFSXGZENP-PKKGAIQRSA-N 50408806 B-9858::CHEMBL410358 B1 bradykinin receptor Rattus 7.94 ChEMBL 10.1021/jm980495r 10.7270/Q25B03Q8 9986712 Galoppini, C; Meini, S; Tancredi, M; Di Fenza, A; Triolo, A; Quartara, L; Maggi, CA; Formaggio, F; Toniolo, C; Mazzucco, S; Papini, A; Rovero, P Institute of Mutagenesis and Differentiation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50408806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50408806&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44354213 163357830 CHEMBL410358 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50996583 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1C(C[C@@H]2CCCC[C@H]12)C(=O)N[C@H](CCCNC(N)=N)C(O)=O InChI=1S/C64H95N19O13/c65-42(16-7-21-72-62(66)67)53(87)76-43(17-8-22-73-63(68)69)58(92)81-24-10-20-47(81)59(93)82-32-41(85)30-48(82)55(89)75-31-50(86)79-51(39-25-34-11-1-2-12-35(34)26-39)57(91)78-45(33-84)54(88)80-52(40-27-36-13-3-4-14-37(36)28-40)60(94)83-46-19-6-5-15-38(46)29-49(83)56(90)77-44(61(95)96)18-9-23-74-64(70)71/h1-4,11-14,38-49,51-52,84-85H,5-10,15-33,65H2,(H,75,89)(H,76,87)(H,77,90)(H,78,91)(H,79,86)(H,80,88)(H,95,96)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t38-,41?,42+,43-,44+,45-,46-,47-,48-,49?,51-,52+/m0/s1 PVNQRMOWAXFQHU-YIBVBTNUSA-N 50408815 B-9430::CHEMBL384857 B1 bradykinin receptor Rattus 19.95 ChEMBL 10.1021/jm980495r 10.7270/Q25B03Q8 9986712 Galoppini, C; Meini, S; Tancredi, M; Di Fenza, A; Triolo, A; Quartara, L; Maggi, CA; Formaggio, F; Toniolo, C; Mazzucco, S; Papini, A; Rovero, P Institute of Mutagenesis and Differentiation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50408815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50408815&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44354161 163357839 CHEMBL384857 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50999062 CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)/t34-/m0/s1 VLIFIGMDNURHMV-UMSFTDKQSA-N 50326709 (R)-1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(4-(4-(pyridin-4-yl)piperazin-1-yl)phenyl)urea::CHEMBL1253497 B1 bradykinin receptor Rattus 0.92 ChEMBL 10.1021/jm034020y 10.7270/Q29P32C6 12723943 Wood, MR; Kim, JJ; Han, W; Dorsey, BD; Homnick, CF; DiPardo, RM; Kuduk, SD; MacNeil, T; Murphy, KL; Lis, EV; Ransom, RW; Stump, GL; Lynch, JJ; O'Malley, SS; Miller, PJ; Chen, TB; Harrell, CM; Chang, RS; Sandhu, P; Ellis, JD; Bondiskey, PJ; Pettibone, DJ; Freidinger, RM; Bock, MG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326709&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10031511 123105824 CHEMBL1253497 ZINC53113089 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50999063 CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)/t34-/m0/s1 VLIFIGMDNURHMV-UMSFTDKQSA-N 50326709 (R)-1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(4-(4-(pyridin-4-yl)piperazin-1-yl)phenyl)urea::CHEMBL1253497 B1 bradykinin receptor Rattus 2.8 ChEMBL 10.1021/jm034020y 10.7270/Q29P32C6 12723943 Wood, MR; Kim, JJ; Han, W; Dorsey, BD; Homnick, CF; DiPardo, RM; Kuduk, SD; MacNeil, T; Murphy, KL; Lis, EV; Ransom, RW; Stump, GL; Lynch, JJ; O'Malley, SS; Miller, PJ; Chen, TB; Harrell, CM; Chang, RS; Sandhu, P; Ellis, JD; Bondiskey, PJ; Pettibone, DJ; Freidinger, RM; Bock, MG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326709&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10031511 123105824 CHEMBL1253497 ZINC53113089 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250 50007186 NCCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C50H73N13O11/c51-22-8-7-17-33(52)42(66)58-34(18-9-23-55-50(53)54)46(70)63-26-12-21-40(63)48(72)62-25-10-19-38(62)44(68)56-29-41(65)57-35(27-31-13-3-1-4-14-31)43(67)60-37(30-64)47(71)61-24-11-20-39(61)45(69)59-36(49(73)74)28-32-15-5-2-6-16-32/h1-6,13-16,33-40,64H,7-12,17-30,51-52H2,(H,56,68)(H,57,65)(H,58,66)(H,59,69)(H,60,67)(H,73,74)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1 AILVBOHFGXNHCC-TZPCGENMSA-N 50214792 CHEMBL264100::des-Arg10-Kallidin B1 bradykinin receptor Rattus 85 ChEMBL 10.1016/S0960-894X(97)10042-7 10.7270/Q2BC3ZJD Tancredi, M; Galoppini, C; Meini, S; Quartara, L; Maggi, CA; Rovero, P TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50214792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000285&target=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50214792&enzyme=B1+bradykinin+receptor&column=ki&startPg=0&Increment=50&submit=Search 122227 376071461 CHEMBL264100 1 MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL B1 bradykinin receptor BKRB1_RAT P97583 O35782 Q9R250