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 50990 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@@H]12)C(C)(C)C InChI=1S/C31H42N4O3/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-18-23-16-17-24(26(23)35)33-29(37)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23-27,32H,16-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23+,24-,26-,27+/m0/s1 BGWQMUKSEXDJIL-PCVPZPMISA-N 27918 (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-(2,2-diphenylacetamido)-octahydrocyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide::Azabicyclooctane scaffold, 14a Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 82 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27918&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 419 3F7H 25195345 57560430 ZINC43203968 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 50991 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3cccc4ccccc34)[C@@H]12)C(C)(C)C InChI=1S/C28H38N4O3/c1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-16-15-19-13-14-22(23(19)32)30-26(34)21-12-8-10-18-9-6-7-11-20(18)21/h6-12,17,19,22-24,29H,13-16H2,1-5H3,(H,30,34)(H,31,33)/t17-,19+,22-,23-,24+/m0/s1 FTXKVJPIFDKIID-YBAXTEPTSA-N 27919 Azabicyclooctane scaffold, 14b::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 46 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27919&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search G13 3F7I 25195346 57560431 ZINC40896204 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 50992 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc(F)c4ccccc34)[C@@H]12)C(C)(C)C InChI=1S/C28H37FN4O3/c1-16(30-5)25(34)32-24(28(2,3)4)27(36)33-15-14-17-10-13-22(23(17)33)31-26(35)20-11-12-21(29)19-9-7-6-8-18(19)20/h6-9,11-12,16-17,22-24,30H,10,13-15H2,1-5H3,(H,31,35)(H,32,34)/t16-,17+,22-,23-,24+/m0/s1 YAJNIUXPYCFLBK-SBWRPUSSSA-N 27920 Azabicyclooctane scaffold, 14c::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-4-fluoronaphthalene-1-carboxamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 38 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27920&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218664 57560432 ZINC44360689 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 50993 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc(C)c4ccccc34)[C@@H]12)C(C)(C)C InChI=1S/C29H40N4O3/c1-17-11-13-22(21-10-8-7-9-20(17)21)27(35)31-23-14-12-19-15-16-33(24(19)23)28(36)25(29(3,4)5)32-26(34)18(2)30-6/h7-11,13,18-19,23-25,30H,12,14-16H2,1-6H3,(H,31,35)(H,32,34)/t18-,19+,23-,24-,25+/m0/s1 ZDFJYYRBUSKIOX-BVPJHWTISA-N 27921 Azabicyclooctane scaffold, 14d::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 63 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27921&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218665 57560433 ZINC42852423 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 50994 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3c(OC)ccc4ccccc34)[C@@H]12)C(C)(C)C InChI=1S/C29H40N4O4/c1-17(30-5)26(34)32-25(29(2,3)4)28(36)33-16-15-19-11-13-21(24(19)33)31-27(35)23-20-10-8-7-9-18(20)12-14-22(23)37-6/h7-10,12,14,17,19,21,24-25,30H,11,13,15-16H2,1-6H3,(H,31,35)(H,32,34)/t17-,19+,21-,24-,25+/m0/s1 KULASWCGDWKFRQ-WSXGSKLPSA-N 27922 Azabicyclooctane scaffold, 14e::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 110 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27922&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218666 57560434 ZINC44362255 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 50995 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4ccccc4c3)[C@@H]12)C(C)(C)C InChI=1S/C28H38N4O3/c1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-15-14-19-12-13-22(23(19)32)30-26(34)21-11-10-18-8-6-7-9-20(18)16-21/h6-11,16-17,19,22-24,29H,12-15H2,1-5H3,(H,30,34)(H,31,33)/t17-,19+,22-,23-,24+/m0/s1 JFFMYRPQVOGSQN-YBAXTEPTSA-N 27923 Azabicyclooctane scaffold, 14f::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]naphthalene-2-carboxamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 91 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27923&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218667 57560435 ZINC40860343 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 50996 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccccc3)[C@@H]12)C(C)(C)C InChI=1S/C24H36N4O3/c1-15(25-5)21(29)27-20(24(2,3)4)23(31)28-14-13-16-11-12-18(19(16)28)26-22(30)17-9-7-6-8-10-17/h6-10,15-16,18-20,25H,11-14H2,1-5H3,(H,26,30)(H,27,29)/t15-,16+,18-,19-,20+/m0/s1 IWYPEHHCCCPVAX-HHUCQEJWSA-N 27924 Azabicyclooctane scaffold, 14g::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]benzamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 1000 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27924&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218668 57560436 ZINC40380230 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 50997 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3cccc(c3)S(C)(=O)=O)[C@@H]12)C(C)(C)C InChI=1S/C25H38N4O5S/c1-15(26-5)22(30)28-21(25(2,3)4)24(32)29-13-12-16-10-11-19(20(16)29)27-23(31)17-8-7-9-18(14-17)35(6,33)34/h7-9,14-16,19-21,26H,10-13H2,1-6H3,(H,27,31)(H,28,30)/t15-,16+,19-,20-,21+/m0/s1 ALJBEHLNJJTYSS-CEDHKZHLSA-N 27925 Azabicyclooctane scaffold, 14h::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-3-methanesulfonylbenzamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 10000 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27925&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218669 57560437 ZINC40848661 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 50998 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3cccc4cccnc34)[C@@H]12)C(C)(C)C InChI=1S/C27H37N5O3/c1-16(28-5)24(33)31-23(27(2,3)4)26(35)32-15-13-18-11-12-20(22(18)32)30-25(34)19-10-6-8-17-9-7-14-29-21(17)19/h6-10,14,16,18,20,22-23,28H,11-13,15H2,1-5H3,(H,30,34)(H,31,33)/t16-,18+,20-,22-,23+/m0/s1 DBSBFQYSCGHURJ-GHRKFHRNSA-N 27926 Azabicyclooctane scaffold, 14i::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]quinoline-8-carboxamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 1700 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27926&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218670 57560438 ZINC40379699 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 50999 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4occc4c3)[C@@H]12)C(C)(C)C InChI=1S/C26H36N4O4/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-12-10-16-6-8-19(21(16)30)28-24(32)18-7-9-20-17(14-18)11-13-34-20/h7,9,11,13-16,19,21-22,27H,6,8,10,12H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1 SHIOBTFUNOXOLX-PNIWUYDQSA-N 27927 Azabicyclooctane scaffold, 14j::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-1-benzofuran-5-carboxamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 100 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27927&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218671 57560439 ZINC40866064 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 51000 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4OCCc4c3)[C@@H]12)C(C)(C)C InChI=1S/C26H38N4O4/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-12-10-16-6-8-19(21(16)30)28-24(32)18-7-9-20-17(14-18)11-13-34-20/h7,9,14-16,19,21-22,27H,6,8,10-13H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1 OCEFHCBADSSFNI-PNIWUYDQSA-N 27928 Azabicyclooctane scaffold, 14k::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-2,3-dihydro-1-benzofuran-5-carboxamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 780 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27928&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218672 57560440 ZINC40873679 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 51001 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4OCOc4c3)[C@@H]12)C(C)(C)C InChI=1S/C25H36N4O5/c1-14(26-5)22(30)28-21(25(2,3)4)24(32)29-11-10-15-6-8-17(20(15)29)27-23(31)16-7-9-18-19(12-16)34-13-33-18/h7,9,12,14-15,17,20-21,26H,6,8,10-11,13H2,1-5H3,(H,27,31)(H,28,30)/t14-,15+,17-,20-,21+/m0/s1 DSQABRZXPNMKFS-ALBMSPKDSA-N 27929 Azabicyclooctane scaffold, 14l::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-2H-1,3-benzodioxole-5-carboxamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 1300 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27929&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218673 57560441 ZINC40391397 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 51002 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4nc[nH]c4c3)[C@@H]12)C(C)(C)C InChI=1S/C25H36N6O3/c1-14(26-5)22(32)30-21(25(2,3)4)24(34)31-11-10-15-6-9-18(20(15)31)29-23(33)16-7-8-17-19(12-16)28-13-27-17/h7-8,12-15,18,20-21,26H,6,9-11H2,1-5H3,(H,27,28)(H,29,33)(H,30,32)/t14-,15+,18-,20-,21+/m0/s1 HBIHHTINCMTJSZ-MXUFIIGOSA-N 27930 Azabicyclooctane scaffold, 14m::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-1H-1,3-benzodiazole-5-carboxamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 1700 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27930&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218674 57560442 ZINC40865455 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 51003 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4nn[nH]c4c3)[C@@H]12)C(C)(C)C InChI=1S/C24H35N7O3/c1-13(25-5)21(32)27-20(24(2,3)4)23(34)31-11-10-14-6-9-17(19(14)31)26-22(33)15-7-8-16-18(12-15)29-30-28-16/h7-8,12-14,17,19-20,25H,6,9-11H2,1-5H3,(H,26,33)(H,27,32)(H,28,29,30)/t13-,14+,17-,19-,20+/m0/s1 LOZPZKNLDREQDD-CPHCCSARSA-N 27931 Azabicyclooctane scaffold, 14n::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-1H-1,2,3-benzotriazole-5-carboxamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 260 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27931&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218675 57560443 ZINC40393056 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 51004 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4nonc4c3)[C@@H]12)C(C)(C)C InChI=1S/C24H34N6O4/c1-13(25-5)21(31)27-20(24(2,3)4)23(33)30-11-10-14-6-9-17(19(14)30)26-22(32)15-7-8-16-18(12-15)29-34-28-16/h7-8,12-14,17,19-20,25H,6,9-11H2,1-5H3,(H,26,32)(H,27,31)/t13-,14+,17-,19-,20+/m0/s1 BNNPYNORGFBPSQ-CPHCCSARSA-N 27932 Azabicyclooctane scaffold, 14o::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-2,1,3-benzoxadiazole-5-carboxamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 1800 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27932&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218676 57560444 ZINC40863422 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 51005 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)C3COc4ccccc34)[C@@H]12)C(C)(C)C InChI=1S/C26H38N4O4/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-13-12-16-10-11-19(21(16)30)28-24(32)18-14-34-20-9-7-6-8-17(18)20/h6-9,15-16,18-19,21-22,27H,10-14H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,18?,19-,21-,22+/m0/s1 PIFSVAAAEYDWOT-OXMYPRSPSA-N 27933 Azabicyclooctane scaffold, 14p::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-2,3-dihydro-1-benzofuran-3-carboxamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 1500 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27933&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 11178892 57560445 ZINC38335981 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 51006 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3coc4ccccc34)[C@@H]12)C(C)(C)C InChI=1S/C26H36N4O4/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-13-12-16-10-11-19(21(16)30)28-24(32)18-14-34-20-9-7-6-8-17(18)20/h6-9,14-16,19,21-22,27H,10-13H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1 LFKRHTZPPCDUBN-PNIWUYDQSA-N 27934 Azabicyclooctane scaffold, 14q::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-1-benzofuran-3-carboxamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 440 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27934&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218677 57560446 ZINC40391846 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 51007 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3csc4ccccc34)[C@@H]12)C(C)(C)C InChI=1S/C26H36N4O3S/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-13-12-16-10-11-19(21(16)30)28-24(32)18-14-34-20-9-7-6-8-17(18)20/h6-9,14-16,19,21-22,27H,10-13H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1 VSALGTVNPILLCS-PNIWUYDQSA-N 27935 Azabicyclooctane scaffold, 14r::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 110 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27935&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 11705765 57560447 ZINC40860881 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 51008 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N(C)c3ccccc3)[C@@H]12)C(C)(C)C InChI=1S/C25H39N5O3/c1-16(26-5)22(31)28-21(25(2,3)4)23(32)30-15-14-17-12-13-19(20(17)30)27-24(33)29(6)18-10-8-7-9-11-18/h7-11,16-17,19-21,26H,12-15H2,1-6H3,(H,27,33)(H,28,31)/t16-,17+,19-,20-,21+/m0/s1 DBXXUGWDADCOGA-YZUZWNONSA-N 27936 (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-{[methyl(phenyl)carbamoyl]amino}-octahydrocyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide::Azabicyclooctane scaffold, 14s Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 1100 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27936&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218678 57560448 ZINC40863050 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 51009 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N(C)c3ccc(F)cc3)[C@@H]12)C(C)(C)C InChI=1S/C25H38FN5O3/c1-15(27-5)22(32)29-21(25(2,3)4)23(33)31-14-13-16-7-12-19(20(16)31)28-24(34)30(6)18-10-8-17(26)9-11-18/h8-11,15-16,19-21,27H,7,12-14H2,1-6H3,(H,28,34)(H,29,32)/t15-,16+,19-,20-,21+/m0/s1 PCAICZHRVPCSTE-CEDHKZHLSA-N 27937 (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-{[(4-fluorophenyl)(methyl)carbamoyl]amino}-octahydrocyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide::Azabicyclooctane scaffold, 14t Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 740 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27937&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218679 57560449 ZINC40392896 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 51010 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N(C)c3ccccn3)[C@@H]12)C(C)(C)C InChI=1S/C24H38N6O3/c1-15(25-5)21(31)28-20(24(2,3)4)22(32)30-14-12-16-10-11-17(19(16)30)27-23(33)29(6)18-9-7-8-13-26-18/h7-9,13,15-17,19-20,25H,10-12,14H2,1-6H3,(H,27,33)(H,28,31)/t15-,16+,17-,19-,20+/m0/s1 BVJVFSVEQPIZHI-SQIBXOBRSA-N 27938 (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-{[methyl(pyridin-2-yl)carbamoyl]amino}-octahydrocyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide::Azabicyclooctane scaffold, 14u Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 5200 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27938&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218680 57560450 ZINC40861158 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 51011 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N3CCc4ccccc34)[C@@H]12)C(C)(C)C InChI=1S/C26H39N5O3/c1-16(27-5)23(32)29-22(26(2,3)4)24(33)31-15-13-18-10-11-19(21(18)31)28-25(34)30-14-12-17-8-6-7-9-20(17)30/h6-9,16,18-19,21-22,27H,10-15H2,1-5H3,(H,28,34)(H,29,32)/t16-,18+,19-,21-,22+/m0/s1 FJAKNADBBZKKLG-CRDRRFEFSA-N 27939 Azabicyclooctane scaffold, 14v::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-2,3-dihydro-1H-indole-1-carboxamide Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 1900 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27939&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218681 57560451 ZINC40846395 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 51012 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CNC(=O)C(c1ccccc1)c1ccccc1)C(C)(C)C InChI=1S/C29H40N4O3/c1-20(30-5)26(34)32-25(29(2,3)4)28(36)33-18-12-17-23(33)19-31-27(35)24(21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,20,23-25,30H,12,17-19H2,1-5H3,(H,31,35)(H,32,34)/t20-,23-,25+/m0/s1 PUCIIZPAQVRBTQ-GRYUFTJMSA-N 27940 (2S)-N-[(2S)-1-[(2S)-2-[(1,1-diphenylacetamido)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide::butoxycarbonylpyrrolidine derivative, 15a Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 290 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27940&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218682 57560452 ZINC40379818 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 51013 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CNC(=O)c1cccc2ccccc12)C(C)(C)C InChI=1S/C26H36N4O3/c1-17(27-5)23(31)29-22(26(2,3)4)25(33)30-15-9-12-19(30)16-28-24(32)21-14-8-11-18-10-6-7-13-20(18)21/h6-8,10-11,13-14,17,19,22,27H,9,12,15-16H2,1-5H3,(H,28,32)(H,29,31)/t17-,19-,22+/m0/s1 FPXSXLPIQWNRHT-LQBOVUBWSA-N 27941 N-{[(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]pyrrolidin-2-yl]methyl}naphthalene-1-carboxamide::butoxycarbonylpyrrolidine derivative, 15b Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 780 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27941&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 25218683 57560453 ZINC40863603 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14 51014 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 InChI=1S/C27H36N4O3/c1-18(2)24(30-25(32)19(3)28)27(34)31-16-10-15-23(31)26(33)29-17-22(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,18-19,22-24H,10,15-17,28H2,1-3H3,(H,29,33)(H,30,32)/t19-,23-,24-/m0/s1 ZJCCVSICICQPSQ-IGKWTDBASA-N 27942 (2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(2,2-diphenylethyl)pyrrolidine-2-carboxamide::Ala-Val-Pro-2,2-diphenethylamine, 1 Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] Homo sapiens 43 7.2 22.00 C Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3381&target=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27942&enzyme=Complex+of+Baculoviral+IAP+repeat-containing+protein+7+%5B63-159%2CS150G%5D+and+E3+ubiquitin-protein+ligase+XIAP+%5B336-348%5D&column=ki&startPg=0&Increment=50&submit=Search 389 3F7G 25195344 57560454 C03803 ZINC59046947 1 MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL 1OXN,1OXQ,1OY7,2I3H,2I3I,3F7H,3F7I,3GT9,3GTA,3UW5 Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP BIRC7_HUMAN XIAP_HUMAN Q96CA5 P98170 Q9BQV0 Q9H2A8 Q9HAP7 D3DTF2 Q9NQ14