Compile Data Set for Download or QSAR

Found 99 hits of ic50 for UniProtKB: P98170   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312982 (US9605022, Example 15) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@H](C(=O)OC)c3ccc(OCc4cn2nn4)cc3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C#N)C(C)(C)C |r| Show InChI InChI=1S/C80H95N17O12/c1-46(82-9)70(98)88-68(79(3,4)5)76(104)94-34-32-63-66(94)74(102)85-61(39-49-20-24-51-16-12-14-18-54(51)36-49)72(100)84-56(41-81)38-48-22-28-59(29-23-48)108-44-57-42-96(92-90-57)64-33-35-95(77(105)69(80(6,7)8)89-71(99)47(2)83-10)67(64)75(103)86-62(40-50-21-25-52-17-13-15-19-55(52)37-50)73(101)87-65(78(106)107-11)53-26-30-60(31-27-53)109-45-58-43-97(63)93-91-58/h12-31,36-37,42-43,46-47,56,61-69,82-83H,32-35,38-40,44-45H2,1-11H3,(H,84,100)(H,85,102)(H,86,103)(H,87,101)(H,88,98)(H,89,99)/t46-,47-,56-,61-,62-,63+,64+,65-,66?,67-,68+,69+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312990 (US9605022, Example 19) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)c2nc(=O)o[nH]2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312988 (US9605022, Example 17) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)c2nc(=S)o[nH]2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312968 (US9605022, Example 3) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(CCC[C@@H](NC(=O)[C@H](Cc4ccc5ccccc5c4)NC(=O)[C@@H]4[C@@H](CCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc4cn(CCC[C@@H](NC(=O)[C@H](Cc5ccc6ccccc6c5)NC(=O)[C@@H]12)C(O)=O)nn4)C(O)=O)nn3)C(C)(C)C |r| Show InChI InChI=1S/C72H96N16O14/c1-41(73-9)61(89)79-59(71(3,4)5)67(95)87-31-27-55-57(87)65(93)77-53(35-43-23-25-45-17-11-13-19-47(45)33-43)63(91)75-51(69(97)98)21-15-30-86-38-50(82-84-86)40-102-56-28-32-88(68(96)60(72(6,7)8)80-62(90)42(2)74-10)58(56)66(94)78-54(36-44-24-26-46-18-12-14-20-48(46)34-44)64(92)76-52(70(99)100)22-16-29-85-37-49(39-101-55)81-83-85/h11-14,17-20,23-26,33-34,37-38,41-42,51-60,73-74H,15-16,21-22,27-32,35-36,39-40H2,1-10H3,(H,75,91)(H,76,92)(H,77,93)(H,78,94)(H,79,89)(H,80,90)(H,97,98)(H,99,100)/t41-,42-,51+,52+,53-,54-,55+,56+,57-,58-,59+,60+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312966 (US9605022, Example 1) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(O)=O)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C80H96N16O14/c1-45(81-9)69(97)87-67(79(3,4)5)75(103)93-33-31-63-65(93)73(101)83-59(39-49-19-25-51-15-11-13-17-53(51)35-49)71(99)85-61(77(105)106)37-47-23-29-58(30-24-47)110-44-56-42-96(92-90-56)64-32-34-94(76(104)68(80(6,7)8)88-70(98)46(2)82-10)66(64)74(102)84-60(40-50-20-26-52-16-12-14-18-54(52)36-50)72(100)86-62(78(107)108)38-48-21-27-57(28-22-48)109-43-55-41-95(63)91-89-55/h11-30,35-36,41-42,45-46,59-68,81-82H,31-34,37-40,43-44H2,1-10H3,(H,83,101)(H,84,102)(H,85,99)(H,86,100)(H,87,97)(H,88,98)(H,105,106)(H,107,108)/t45-,46-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312973 (US9605022, Example 8) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)NC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NCc2cc(F)c(O)c(F)c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C89H103F2N17O15/c1-49(92-9)78(111)99-76(88(3,4)5)85(118)105-33-31-70-73(105)83(116)96-68(42-54-20-26-57-16-12-14-18-59(57)36-54)82(115)97-69(87(120)121)41-52-23-29-64(30-24-52)123-48-62-46-108(104-102-62)71-32-34-106(86(119)77(89(6,7)8)100-79(112)50(2)93-10)74(71)84(117)98-72(109)43-60(37-53-19-25-56-15-11-13-17-58(56)35-53)80(113)95-67(81(114)94-44-55-38-65(90)75(110)66(91)39-55)40-51-21-27-63(28-22-51)122-47-61-45-107(70)103-101-61/h11-30,35-36,38-39,45-46,49-50,60,67-71,73-74,76-77,92-93,110H,31-34,37,40-44,47-48H2,1-10H3,(H,94,114)(H,95,113)(H,96,116)(H,97,115)(H,99,111)(H,100,112)(H,120,121)(H,98,109,117)/t49-,50-,60+,67-,68-,69-,70+,71+,73-,74-,76+,77+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312977 (US9605022, Example 11) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NS(=O)(=O)C2CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C83H101N17O15S/c1-47(84-9)72(101)90-70(82(3,4)5)79(108)97-35-33-66-68(97)77(106)87-62(41-51-19-25-53-15-11-13-17-55(53)37-51)74(103)86-64(76(105)94-116(112,113)61-31-32-61)39-49-21-27-59(28-22-49)114-45-57-43-100(96-92-57)67-34-36-98(80(109)71(83(6,7)8)91-73(102)48(2)85-10)69(67)78(107)88-63(42-52-20-26-54-16-12-14-18-56(54)38-52)75(104)89-65(81(110)111)40-50-23-29-60(30-24-50)115-46-58-44-99(66)95-93-58/h11-30,37-38,43-44,47-48,61-71,84-85H,31-36,39-42,45-46H2,1-10H3,(H,86,103)(H,87,106)(H,88,107)(H,89,104)(H,90,101)(H,91,102)(H,94,105)(H,110,111)/t47-,48-,62-,63-,64-,65-,66+,67+,68-,69-,70+,71+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312981 (US9605022, Example 14) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)NC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(O)=O)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)c1n[nH]c(=O)o1)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312979 (US9605022, Example 13) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)NC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NCC[C@@H](O)C[C@@H](O)CC(O)=O)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C89H111N17O18/c1-50(90-9)78(112)97-76(88(3,4)5)85(119)103-35-32-70-74(103)83(117)94-68(42-55-20-26-57-16-12-14-18-59(57)38-55)82(116)95-69(87(121)122)41-53-23-29-66(30-24-53)124-49-62-47-106(102-100-62)71-33-36-104(86(120)77(89(6,7)8)98-79(113)51(2)91-10)75(71)84(118)96-72(109)43-60(39-54-19-25-56-15-11-13-17-58(56)37-54)80(114)93-67(81(115)92-34-31-63(107)44-64(108)45-73(110)111)40-52-21-27-65(28-22-52)123-48-61-46-105(70)101-99-61/h11-30,37-38,46-47,50-51,60,63-64,67-71,74-77,90-91,107-108H,31-36,39-45,48-49H2,1-10H3,(H,92,115)(H,93,114)(H,94,117)(H,95,116)(H,97,112)(H,98,113)(H,110,111)(H,121,122)(H,96,109,118)/t50-,51-,60+,63+,64+,67-,68-,69-,70+,71+,74-,75-,76+,77+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312969 (US9605022, Example 4) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(nn3)[C@@H](CCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc3cn(nn3)[C@@H](CCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]12)C(O)=O)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C70H92N16O14/c1-39(71-9)59(87)77-57(69(3,4)5)65(93)83-29-25-53-55(83)63(91)75-49(33-41-19-21-43-15-11-13-17-45(43)31-41)61(89)73-27-23-52(68(97)98)86-36-48(80-82-86)38-100-54-26-30-84(66(94)58(70(6,7)8)78-60(88)40(2)72-10)56(54)64(92)76-50(34-42-20-22-44-16-12-14-18-46(44)32-42)62(90)74-28-24-51(67(95)96)85-35-47(37-99-53)79-81-85/h11-22,31-32,35-36,39-40,49-58,71-72H,23-30,33-34,37-38H2,1-10H3,(H,73,89)(H,74,90)(H,75,91)(H,76,92)(H,77,87)(H,78,88)(H,95,96)(H,97,98)/t39-,40-,49-,50-,51-,52-,53+,54+,55-,56-,57+,58+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312989 (US9605022, Example 18) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)c2nc(=S)o[nH]2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312987 (US9605022, Example 16) Show SMILES COC(=O)[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)n2cc(COc3ccc(C[C@H](NC(=O)[C@H](Cc4ccc5ccccc5c4)NC(=O)[C@@H]4[C@@H](CCN4C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)n4cc(COc5ccc1cc5)nn4)C#N)cc3)nn2 |r| Show InChI InChI=1S/C90H111N17O16/c1-52(102(15)85(117)122-89(9,10)11)76(108)96-74(87(3,4)5)82(114)104-40-38-69-72(104)80(112)93-67(45-55-26-30-57-22-18-20-24-60(57)42-55)78(110)92-62(47-91)44-54-28-34-65(35-29-54)120-50-63-48-106(100-98-63)70-39-41-105(83(115)75(88(6,7)8)97-77(109)53(2)103(16)86(118)123-90(12,13)14)73(70)81(113)94-68(46-56-27-31-58-23-19-21-25-61(58)43-56)79(111)95-71(84(116)119-17)59-32-36-66(37-33-59)121-51-64-49-107(69)101-99-64/h18-37,42-43,48-49,52-53,62,67-75H,38-41,44-46,50-51H2,1-17H3,(H,92,110)(H,93,112)(H,94,113)(H,95,111)(H,96,108)(H,97,109)/t52-,53-,62-,67-,68-,69+,70+,71-,72?,73-,74+,75+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312971 (US9605022, Example 6) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)OC)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C |r| Show InChI InChI=1S/C84H103N17O15S/c1-48(85-9)73(102)91-71(83(3,4)5)80(109)98-36-34-67-69(98)78(107)88-63(42-52-20-26-54-16-12-14-18-56(54)38-52)75(104)87-65(77(106)95-117(112,113)62-32-33-62)40-50-22-28-60(29-23-50)115-46-58-44-101(97-93-58)68-35-37-99(81(110)72(84(6,7)8)92-74(103)49(2)86-10)70(68)79(108)89-64(43-53-21-27-55-17-13-15-19-57(55)39-53)76(105)90-66(82(111)114-11)41-51-24-30-61(31-25-51)116-47-59-45-100(67)96-94-59/h12-31,38-39,44-45,48-49,62-72,85-86H,32-37,40-43,46-47H2,1-11H3,(H,87,104)(H,88,107)(H,89,108)(H,90,105)(H,91,102)(H,92,103)(H,95,106)/t48-,49-,63-,64-,65-,66-,67+,68+,69-,70-,71+,72+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312975 (US9605022, Example 9) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)NC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NCc2cc(F)c(O)c(F)c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(=O)OC)C(C)(C)C |r| Show InChI InChI=1S/C90H105F2N17O15/c1-50(93-9)79(112)100-77(89(3,4)5)86(119)106-34-32-71-74(106)84(117)97-69(43-55-21-27-58-17-13-15-19-60(58)37-55)83(116)98-70(88(121)122-11)42-53-24-30-65(31-25-53)124-49-63-47-109(105-103-63)72-33-35-107(87(120)78(90(6,7)8)101-80(113)51(2)94-10)75(72)85(118)99-73(110)44-61(38-54-20-26-57-16-12-14-18-59(57)36-54)81(114)96-68(82(115)95-45-56-39-66(91)76(111)67(92)40-56)41-52-22-28-64(29-23-52)123-48-62-46-108(71)104-102-62/h12-31,36-37,39-40,46-47,50-51,61,68-72,74-75,77-78,93-94,111H,32-35,38,41-45,48-49H2,1-11H3,(H,95,115)(H,96,114)(H,97,117)(H,98,116)(H,100,112)(H,101,113)(H,99,110,118)/t50-,51-,61+,68-,69-,70-,71+,72+,74-,75-,77+,78+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312991 (US9605022, Example 20) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)c2nc(=O)o[nH]2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312967 (US9605022, Example 2) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(CC[C@@H](NC(=O)[C@H](Cc4ccc5ccccc5c4)NC(=O)[C@@H]4[C@@H](CCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc4cn(CC[C@@H](NC(=O)[C@H](Cc5ccc6ccccc6c5)NC(=O)[C@@H]12)C(O)=O)nn4)C(O)=O)nn3)C(C)(C)C |r| Show InChI InChI=1S/C70H92N16O14/c1-39(71-9)59(87)77-57(69(3,4)5)65(93)85-29-25-53-55(85)63(91)75-51(33-41-19-21-43-15-11-13-17-45(43)31-41)61(89)73-49(67(95)96)23-28-84-36-48(80-82-84)38-100-54-26-30-86(66(94)58(70(6,7)8)78-60(88)40(2)72-10)56(54)64(92)76-52(34-42-20-22-44-16-12-14-18-46(44)32-42)62(90)74-50(68(97)98)24-27-83-35-47(37-99-53)79-81-83/h11-22,31-32,35-36,39-40,49-58,71-72H,23-30,33-34,37-38H2,1-10H3,(H,73,89)(H,74,90)(H,75,91)(H,76,92)(H,77,87)(H,78,88)(H,95,96)(H,97,98)/t39-,40-,49+,50+,51-,52-,53+,54+,55-,56-,57+,58+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312978 (US9605022, Example 12) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NS(=O)(=O)C2CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C83H101N17O15S/c1-47(84-9)72(101)90-70(82(3,4)5)79(108)97-35-33-66-68(97)77(106)87-62(41-51-19-25-53-15-11-13-17-55(53)37-51)74(103)86-64(76(105)94-116(112,113)61-31-32-61)39-49-21-27-59(28-22-49)114-45-57-43-100(96-92-57)67-34-36-98(80(109)71(83(6,7)8)91-73(102)48(2)85-10)69(67)78(107)88-63(42-52-20-26-54-16-12-14-18-56(54)38-52)75(104)89-65(81(110)111)40-50-23-29-60(30-24-50)115-46-58-44-99(66)95-93-58/h11-30,37-38,43-44,47-48,61-71,84-85H,31-36,39-42,45-46H2,1-10H3,(H,86,103)(H,87,106)(H,88,107)(H,89,104)(H,90,101)(H,91,102)(H,94,105)(H,110,111)/t47-,48-,62+,63-,64-,65-,66+,67+,68-,69-,70+,71+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312972 (US9605022, Example 7) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)OC)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C81H98N14O13/c1-47(82-9)72(97)86-70(80(3,4)5)76(101)92-34-32-65-68(92)62(39-52-21-27-54-17-13-15-19-56(54)37-52)75(100)84-63(78(103)104)40-49-22-28-60(29-23-49)108-46-59-44-95(91-89-59)66-33-35-93(77(102)71(81(6,7)8)87-73(98)48(2)83-10)69(66)67(96)42-57(38-51-20-26-53-16-12-14-18-55(53)36-51)74(99)85-64(79(105)106-11)41-50-24-30-61(31-25-50)107-45-58-43-94(65)90-88-58/h12-31,36-37,43-44,47-48,57,62-66,68-71,82-83H,32-35,38-42,45-46H2,1-11H3,(H,84,100)(H,85,99)(H,86,97)(H,87,98)(H,103,104)/t47-,48-,57+,62+,63-,64-,65+,66+,68+,69-,70+,71+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312970 (US9605022, Example 5) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(nn3)[C@@H](CCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc3cn(nn3)[C@@H](CCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]12)C(=O)NS(C)(=O)=O)C(=O)NS(C)(=O)=O)C(C)(C)C |r| Show InChI InChI=1S/C74H102N18O16S2/c1-43(75-9)63(93)81-61(73(3,4)5)71(101)89-33-29-57-59(89)69(99)79-53(37-45-25-27-47-19-13-15-21-49(47)35-45)65(95)77-31-17-23-56(68(98)86-110(12,105)106)92-40-52(84-88-92)42-108-58-30-34-90(72(102)62(74(6,7)8)82-64(94)44(2)76-10)60(58)70(100)80-54(38-46-26-28-48-20-14-16-22-50(48)36-46)66(96)78-32-18-24-55(67(97)85-109(11,103)104)91-39-51(41-107-57)83-87-91/h13-16,19-22,25-28,35-36,39-40,43-44,53-62,75-76H,17-18,23-24,29-34,37-38,41-42H2,1-12H3,(H,77,95)(H,78,96)(H,79,99)(H,80,100)(H,81,93)(H,82,94)(H,85,97)(H,86,98)/t43-,44-,53-,54-,55-,56-,57+,58+,59-,60-,61+,62+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312976 (US9605022, Example 10) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NS(=O)(=O)c2ccccn2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C85H100N18O15S/c1-49(86-9)74(104)93-72(84(3,4)5)81(111)100-37-34-67-70(100)79(109)90-63(43-53-22-28-55-17-11-13-19-57(55)39-53)76(106)89-65(78(108)97-119(115,116)69-21-15-16-36-88-69)41-51-24-30-61(31-25-51)117-47-59-45-103(99-95-59)68-35-38-101(82(112)73(85(6,7)8)94-75(105)50(2)87-10)71(68)80(110)91-64(44-54-23-29-56-18-12-14-20-58(56)40-54)77(107)92-66(83(113)114)42-52-26-32-62(33-27-52)118-48-60-46-102(67)98-96-60/h11-33,36,39-40,45-46,49-50,63-68,70-73,86-87H,34-35,37-38,41-44,47-48H2,1-10H3,(H,89,106)(H,90,109)(H,91,110)(H,92,107)(H,93,104)(H,94,105)(H,97,108)(H,113,114)/t49-,50-,63-,64-,65-,66-,67+,68+,70-,71-,72+,73+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.9	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50030266 (CHEMBL3339223 | US9603889, Example 8) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CN([C@@H](COC)c2ccccc2)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C62H83N9O8/c1-38(63-9)54(72)67-52(61(3,4)5)59(77)70-35-45-24-16-15-23-44(45)32-50(70)58(76)69(51(37-79-11)42-21-13-12-14-22-42)34-40-28-30-43(31-29-40)56(74)65-46-33-49(57(75)66-48-27-19-25-41-20-17-18-26-47(41)48)71(36-46)60(78)53(62(6,7)8)68-55(73)39(2)64-10/h12-18,20-24,26,28-31,38-39,46,48-53,63-64H,19,25,27,32-37H2,1-11H3,(H,65,74)(H,66,75)(H,67,72)(H,68,73)/t38-,39-,46-,48+,49-,50-,51-,52+,53+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9603889 (2017) BindingDB Entry DOI: 10.7270/Q2C53NXV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312113 ((S)-2-((S)-3,3- Dimethyl-2-((S)-2- (methylamino) p...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN(C(C)c2ccccc2OC)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C62H83N9O8/c1-37(63-10)54(72)67-52(61(4,5)6)59(77)70-35-44-22-14-13-21-43(44)32-50(70)58(76)69(39(3)46-24-17-18-27-51(46)79-12)34-40-28-30-42(31-29-40)56(74)65-45-33-49(57(75)66-48-26-19-23-41-20-15-16-25-47(41)48)71(36-45)60(78)53(62(7,8)9)68-55(73)38(2)64-11/h13-18,20-22,24-25,27-31,37-39,45,48-50,52-53,63-64H,19,23,26,32-36H2,1-12H3,(H,65,74)(H,66,75)(H,67,72)(H,68,73)/t37-,38-,39?,45?,48?,49-,50-,52+,53+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9603889 (2017) BindingDB Entry DOI: 10.7270/Q2C53NXV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50071850 (CHEMBL3410808 | US9783573, Example 3) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)CCCC(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C60H84N10O8/c1-35(61-9)53(73)67-51(59(3,4)5)57(77)69-33-40-30-41(29-28-39(40)31-47(69)55(75)65-45-24-15-20-37-18-11-13-22-43(37)45)63-49(71)26-17-27-50(72)64-42-32-48(56(76)66-46-25-16-21-38-19-12-14-23-44(38)46)70(34-42)58(78)52(60(6,7)8)68-54(74)36(2)62-10/h11-14,18-19,22-23,28-30,35-36,42,45-48,51-52,61-62H,15-17,20-21,24-27,31-34H2,1-10H3,(H,63,71)(H,64,72)(H,65,75)(H,66,76)(H,67,73)(H,68,74)/t35-,36-,42-,45+,46+,47-,48-,51+,52+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50030268 (CHEMBL3339221 | US9603889, Example 1) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CN([C@H](C)c2ccccc2F)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C61H80FN9O7/c1-36(63-10)53(72)67-51(60(4,5)6)58(77)70-34-43-21-13-12-20-42(43)31-50(70)57(76)69(38(3)45-23-16-17-25-47(45)62)33-39-27-29-41(30-28-39)55(74)65-44-32-49(56(75)66-48-26-18-22-40-19-14-15-24-46(40)48)71(35-44)59(78)52(61(7,8)9)68-54(73)37(2)64-11/h12-17,19-21,23-25,27-30,36-38,44,48-52,63-64H,18,22,26,31-35H2,1-11H3,(H,65,74)(H,66,75)(H,67,72)(H,68,73)/t36-,37-,38+,44-,48+,49-,50-,51+,52+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9603889 (2017) BindingDB Entry DOI: 10.7270/Q2C53NXV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345151 (US9783573, Example 1) Show SMILES CN[C@@H](C)C(=C)N[C@H](C(=O)C1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)CCC(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C61H85N9O7/c1-35(62-10)36(2)64-54(60(4,5)6)53(73)46-32-43(33-47(46)57(75)67-48-24-16-20-38-18-12-14-22-44(38)48)66-52(72)29-28-51(71)65-42-27-26-40-31-50(58(76)68-49-25-17-21-39-19-13-15-23-45(39)49)70(34-41(40)30-42)59(77)55(61(7,8)9)69-56(74)37(3)63-11/h12-15,18-19,22-23,26-27,30,35,37,43,46-50,54-55,62-64H,2,16-17,20-21,24-25,28-29,31-34H2,1,3-11H3,(H,65,71)(H,66,72)(H,67,75)(H,68,76)(H,69,74)/t35-,37-,43?,46?,47+,48?,49?,50-,54+,55+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345158 ((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)pro...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CCC(=O)Nc2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(C)(C)C Show InChI InChI=1S/C65H86N10O8/c1-38(66-9)57(77)72-55(64(3,4)5)62(82)74-36-45-33-46(31-30-44(45)34-52(74)60(80)70-50-23-15-19-41-17-11-13-21-48(41)50)68-54(76)32-27-40-25-28-43(29-26-40)59(79)69-47-35-53(61(81)71-51-24-16-20-42-18-12-14-22-49(42)51)75(37-47)63(83)56(65(6,7)8)73-58(78)39(2)67-10/h11-14,17-18,21-22,25-26,28-31,33,38-39,47,50-53,55-56,66-67H,15-16,19-20,23-24,27,32,34-37H2,1-10H3,(H,68,76)(H,69,79)(H,70,80)(H,71,81)(H,72,77)(H,73,78)/t38-,39-,47-,50+,51+,52-,53-,55+,56+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312115 ((3S)-N-(1-(2- Chlorophenyl) ethyl)-2-((S)-3,3- dim...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN(C(C)c2ccccc2Cl)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r,w:37.40| Show InChI InChI=1S/C61H80ClN9O7/c1-36(63-10)53(72)67-51(60(4,5)6)58(77)70-34-43-21-13-12-20-42(43)31-50(70)57(76)69(38(3)45-23-16-17-25-47(45)62)33-39-27-29-41(30-28-39)55(74)65-44-32-49(56(75)66-48-26-18-22-40-19-14-15-24-46(40)48)71(35-44)59(78)52(61(7,8)9)68-54(73)37(2)64-11/h12-17,19-21,23-25,27-30,36-38,44,48-52,63-64H,18,22,26,31-35H2,1-11H3,(H,65,74)(H,66,75)(H,67,72)(H,68,73)/t36-,37-,38?,44?,48?,49-,50-,51+,52+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9603889 (2017) BindingDB Entry DOI: 10.7270/Q2C53NXV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345155 (N-((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)N(C(=O)C1(CCC1)C(N)=O)c1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C61H84N10O8/c1-35(63-9)51(72)67-49(59(3,4)5)55(76)69-33-40-30-41(27-26-39(40)31-47(69)53(74)65-45-24-15-20-37-18-11-13-22-43(37)45)71(58(79)61(57(62)78)28-17-29-61)42-32-48(54(75)66-46-25-16-21-38-19-12-14-23-44(38)46)70(34-42)56(77)50(60(6,7)8)68-52(73)36(2)64-10/h11-14,18-19,22-23,26-27,30,35-36,42,45-50,63-64H,15-17,20-21,24-25,28-29,31-34H2,1-10H3,(H2,62,78)(H,65,74)(H,66,75)(H,67,72)(H,68,73)/t35-,36-,42-,45+,46+,47-,48-,49+,50+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345180 (US9783573, Example 30) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CO[C@@H]2CCN([C@@H](C2)C(=O)NC2CCCc3ccccc23)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C59H83N9O8/c1-35(60-9)51(69)65-49(58(3,4)5)56(74)67-30-29-42(32-48(67)55(73)64-46-24-16-20-39-18-12-14-22-44(39)46)76-34-37-25-27-40(28-26-37)53(71)62-41-31-47(54(72)63-45-23-15-19-38-17-11-13-21-43(38)45)68(33-41)57(75)50(59(6,7)8)66-52(70)36(2)61-10/h11-14,17-18,21-22,25-28,35-36,41-42,45-50,60-61H,15-16,19-20,23-24,29-34H2,1-10H3,(H,62,71)(H,63,72)(H,64,73)(H,65,69)(H,66,70)/t35-,36-,41?,42+,45?,46?,47-,48-,49+,50+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345182 (US9783573, Example 32) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN(C(C)=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(C)(C)C |r| Show InChI InChI=1S/C65H86N10O8/c1-38(66-10)57(77)71-55(64(4,5)6)62(82)74-36-46-32-48(31-30-45(46)33-53(74)60(80)69-51-24-16-20-42-18-12-14-22-49(42)51)73(40(3)76)35-41-26-28-44(29-27-41)59(79)68-47-34-54(61(81)70-52-25-17-21-43-19-13-15-23-50(43)52)75(37-47)63(83)56(65(7,8)9)72-58(78)39(2)67-11/h12-15,18-19,22-23,26-32,38-39,47,51-56,66-67H,16-17,20-21,24-25,33-37H2,1-11H3,(H,68,79)(H,69,80)(H,70,81)(H,71,77)(H,72,78)/t38-,39-,47?,51?,52?,53-,54-,55+,56+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312130 (US9603889, Example 41) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)CCCN([C@H](C)c1ccccc1F)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C57H80FN9O7/c1-34(59-10)50(69)63-48(56(4,5)6)54(73)66-32-39-22-13-12-21-38(39)30-46(66)53(72)65(36(3)41-24-16-17-26-43(41)58)29-19-28-47(68)61-40-31-45(52(71)62-44-27-18-23-37-20-14-15-25-42(37)44)67(33-40)55(74)49(57(7,8)9)64-51(70)35(2)60-11/h12-17,20-22,24-26,34-36,40,44-46,48-49,59-60H,18-19,23,27-33H2,1-11H3,(H,61,68)(H,62,71)(H,63,69)(H,64,70)/t34-,35-,36+,40?,44?,45-,46-,48+,49+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9603889 (2017) BindingDB Entry DOI: 10.7270/Q2C53NXV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345167 (US9783573, Example 17) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)C(F)(F)C(F)(F)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C59H78F4N10O8/c1-32(64-9)48(74)70-46(56(3,4)5)52(78)72-30-37-27-38(26-25-36(37)28-44(72)50(76)68-42-23-15-19-34-17-11-13-21-40(34)42)66-54(80)58(60,61)59(62,63)55(81)67-39-29-45(51(77)69-43-24-16-20-35-18-12-14-22-41(35)43)73(31-39)53(79)47(57(6,7)8)71-49(75)33(2)65-10/h11-14,17-18,21-22,25-27,32-33,39,42-47,64-65H,15-16,19-20,23-24,28-31H2,1-10H3,(H,66,80)(H,67,81)(H,68,76)(H,69,77)(H,70,74)(H,71,75)/t32-,33-,39-,42?,43?,44-,45-,46+,47+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345177 (US9783573, Example 27) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(NC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(C)(C)C |r| Show InChI InChI=1S/C63H82N10O8/c1-36(64-9)54(74)70-52(62(3,4)5)60(80)72-34-43-31-42(26-25-41(43)32-50(72)58(78)68-48-23-15-19-38-17-11-13-21-46(38)48)57(77)66-44-29-27-40(28-30-44)56(76)67-45-33-51(59(79)69-49-24-16-20-39-18-12-14-22-47(39)49)73(35-45)61(81)53(63(6,7)8)71-55(75)37(2)65-10/h11-14,17-18,21-22,25-31,36-37,45,48-53,64-65H,15-16,19-20,23-24,32-35H2,1-10H3,(H,66,77)(H,67,76)(H,68,78)(H,69,79)(H,70,74)(H,71,75)/t36-,37-,45?,48?,49?,50-,51-,52+,53+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345157 (N2-((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)C1CC2(C1)CC(C2)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |wU:2.2,46.71,53.60,wD:18.18,14.15,7.6,12.30,68.74,57.64,(-16.42,-2.94,;-15.09,-3.71,;-13.76,-2.94,;-13.76,-1.4,;-12.42,-3.71,;-12.42,-5.25,;-11.09,-2.94,;-9.76,-3.71,;-8.42,-2.94,;-8.42,-1.4,;-7.09,-3.71,;-6.93,-5.24,;-5.42,-5.56,;-4.65,-4.23,;-5.68,-3.08,;-5.36,-1.57,;-3.9,-1.1,;-6.51,-.54,;-6.19,.96,;-7.33,1.99,;-7.01,3.5,;-5.54,3.97,;-4.4,2.94,;-2.94,3.42,;-1.79,2.39,;-2.11,.88,;-3.58,.41,;-4.72,1.44,;-4.79,-6.97,;-3.26,-7.13,;-2.64,-8.53,;-2.36,-5.88,;-.84,-5.64,;-1.08,-4.12,;-2.6,-4.36,;-1.32,-2.6,;.2,-2.36,;.44,-3.88,;1.11,-1.11,;.48,.3,;2.64,-1.27,;3.54,-.03,;2.92,1.38,;3.82,2.63,;5.36,2.47,;6.26,3.71,;7.79,3.55,;8.42,2.14,;7.51,.9,;5.98,1.06,;5.08,-.19,;9.95,1.98,;10.86,3.23,;10.58,.58,;12.11,.41,;12.73,-.99,;11.83,-2.24,;14.27,-1.15,;15.17,.09,;14.89,-2.56,;16.42,-2.72,;9.67,-.67,;8.14,-.51,;8.77,-1.92,;10.3,-2.08,;8.7,4.8,;8.07,6.2,;10.23,4.64,;11.13,5.88,;10.51,7.29,;11.41,8.53,;12.94,8.37,;13.57,6.97,;15.1,6.81,;15.73,5.4,;14.82,4.15,;13.29,4.31,;12.67,5.72,;-9.76,-5.25,;-8.42,-6.02,;-11.09,-6.02,;-9.76,-6.79,)| Show InChI InChI=1S/C64H88N10O8/c1-36(65-9)54(75)71-52(62(3,4)5)60(81)73-34-41-27-44(26-25-40(41)28-50(73)58(79)69-48-23-15-19-38-17-11-13-21-46(38)48)67-56(77)42-30-64(31-42)32-43(33-64)57(78)68-45-29-51(59(80)70-49-24-16-20-39-18-12-14-22-47(39)49)74(35-45)61(82)53(63(6,7)8)72-55(76)37(2)66-10/h11-14,17-18,21-22,25-27,36-37,42-43,45,48-53,65-66H,15-16,19-20,23-24,28-35H2,1-10H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)(H,71,75)(H,72,76)/t36-,37-,42?,43?,45-,48+,49+,50-,51-,52+,53+,64?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312091 (US9603889, Example 3) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CN([C@H](C)c2cccc(OC)c2)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C62H83N9O8/c1-37(63-10)54(72)67-52(61(4,5)6)59(77)70-35-45-21-14-13-20-44(45)32-51(70)58(76)69(39(3)43-23-17-24-47(31-43)79-12)34-40-27-29-42(30-28-40)56(74)65-46-33-50(57(75)66-49-26-18-22-41-19-15-16-25-48(41)49)71(36-46)60(78)53(62(7,8)9)68-55(73)38(2)64-11/h13-17,19-21,23-25,27-31,37-39,46,49-53,63-64H,18,22,26,32-36H2,1-12H3,(H,65,74)(H,66,75)(H,67,72)(H,68,73)/t37-,38-,39+,46?,49+,50-,51-,52+,53+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9603889 (2017) BindingDB Entry DOI: 10.7270/Q2C53NXV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345197 (US9783573, Example 47) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)OCc1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C63H83N9O8/c1-37(64-9)55(73)69-53(62(3,4)5)60(78)71-34-44-31-45(30-29-43(44)32-51(71)58(76)67-49-23-15-19-40-17-11-13-21-47(40)49)66-57(75)42-27-25-39(26-28-42)36-80-46-33-52(59(77)68-50-24-16-20-41-18-12-14-22-48(41)50)72(35-46)61(79)54(63(6,7)8)70-56(74)38(2)65-10/h11-14,17-18,21-22,25-31,37-38,46,49-54,64-65H,15-16,19-20,23-24,32-36H2,1-10H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t37-,38-,46-,49+,50+,51-,52-,53+,54+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312132 (US9603889, Example 43) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)C1(CN([C@H](C)c2cccc(F)c2F)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)CC1)C(C)(C)C |r| Show InChI InChI=1S/C58H79F2N9O7/c1-33(61-10)49(70)65-47(56(4,5)6)53(74)67-30-38-20-13-12-19-37(38)28-45(67)52(73)69(35(3)40-23-17-24-42(59)46(40)60)32-58(26-27-58)55(76)63-39-29-44(51(72)64-43-25-16-21-36-18-14-15-22-41(36)43)68(31-39)54(75)48(57(7,8)9)66-50(71)34(2)62-11/h12-15,17-20,22-24,33-35,39,43-45,47-48,61-62H,16,21,25-32H2,1-11H3,(H,63,76)(H,64,72)(H,65,70)(H,66,71)/t33-,34-,35+,39?,43?,44-,45-,47+,48+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9603889 (2017) BindingDB Entry DOI: 10.7270/Q2C53NXV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312094 (US9603889, Example 6) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CN([C@H](C)c2cccc(F)c2F)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C61H79F2N9O7/c1-35(64-10)53(73)68-51(60(4,5)6)58(78)71-33-42-20-13-12-19-41(42)30-49(71)57(77)70(37(3)44-23-17-24-46(62)50(44)63)32-38-26-28-40(29-27-38)55(75)66-43-31-48(56(76)67-47-25-16-21-39-18-14-15-22-45(39)47)72(34-43)59(79)52(61(7,8)9)69-54(74)36(2)65-11/h12-15,17-20,22-24,26-29,35-37,43,47-49,51-52,64-65H,16,21,25,30-34H2,1-11H3,(H,66,75)(H,67,76)(H,68,73)(H,69,74)/t35-,36-,37+,43-,47+,48-,49-,51+,52+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9603889 (2017) BindingDB Entry DOI: 10.7270/Q2C53NXV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345154 (N-((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)N(C(=O)C1(CC1)C(N)=O)c1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C60H82N10O8/c1-34(62-9)50(71)66-48(58(3,4)5)54(75)68-32-39-29-40(26-25-38(39)30-46(68)52(73)64-44-23-15-19-36-17-11-13-21-42(36)44)70(57(78)60(27-28-60)56(61)77)41-31-47(53(74)65-45-24-16-20-37-18-12-14-22-43(37)45)69(33-41)55(76)49(59(6,7)8)67-51(72)35(2)63-10/h11-14,17-18,21-22,25-26,29,34-35,41,44-49,62-63H,15-16,19-20,23-24,27-28,30-33H2,1-10H3,(H2,61,77)(H,64,73)(H,65,74)(H,66,71)(H,67,72)/t34-,35-,41-,44+,45+,46-,47-,48+,49+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312112 ((S)-2-((S)-3,3- Dimethyl-2-((S)-2- (methylamino) p...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN(C(C)c2ccccc2)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C61H81N9O7/c1-37(62-10)53(71)66-51(60(4,5)6)58(76)69-35-45-24-16-15-23-44(45)32-50(69)57(75)68(39(3)41-20-13-12-14-21-41)34-40-28-30-43(31-29-40)55(73)64-46-33-49(56(74)65-48-27-19-25-42-22-17-18-26-47(42)48)70(36-46)59(77)52(61(7,8)9)67-54(72)38(2)63-11/h12-18,20-24,26,28-31,37-39,46,48-52,62-63H,19,25,27,32-36H2,1-11H3,(H,64,73)(H,65,74)(H,66,71)(H,67,72)/t37-,38-,39?,46?,48?,49-,50-,51+,52+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9603889 (2017) BindingDB Entry DOI: 10.7270/Q2C53NXV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345179 ((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) pro...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)C(C)(C)NC(=O)c1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C60H84N10O8/c1-34(61-11)50(71)66-48(58(3,4)5)55(76)69-32-40-29-39(28-27-38(40)30-46(69)53(74)64-44-25-17-21-36-19-13-15-23-42(36)44)52(73)68-60(9,10)57(78)63-41-31-47(54(75)65-45-26-18-22-37-20-14-16-24-43(37)45)70(33-41)56(77)49(59(6,7)8)67-51(72)35(2)62-12/h13-16,19-20,23-24,27-29,34-35,41,44-49,61-62H,17-18,21-22,25-26,30-33H2,1-12H3,(H,63,78)(H,64,74)(H,65,75)(H,66,71)(H,67,72)(H,68,73)/t34-,35-,41-,44+,45+,46-,47-,48+,49+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312092 (US9603889, Example 4) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CN([C@H](C)c2ccc(F)cc2)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C61H80FN9O7/c1-36(63-10)53(72)67-51(60(4,5)6)58(77)70-34-44-19-13-12-18-43(44)31-50(70)57(76)69(38(3)40-27-29-45(62)30-28-40)33-39-23-25-42(26-24-39)55(74)65-46-32-49(56(75)66-48-22-16-20-41-17-14-15-21-47(41)48)71(35-46)59(78)52(61(7,8)9)68-54(73)37(2)64-11/h12-15,17-19,21,23-30,36-38,46,48-52,63-64H,16,20,22,31-35H2,1-11H3,(H,65,74)(H,66,75)(H,67,72)(H,68,73)/t36-,37-,38+,46-,48+,49-,50-,51+,52+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9603889 (2017) BindingDB Entry DOI: 10.7270/Q2C53NXV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345169 (US9783573, Example 19) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)CNc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C57H80N10O7/c1-33(58-9)50(69)64-48(56(3,4)5)54(73)66-31-38-27-39(26-25-37(38)28-45(66)52(71)62-43-23-15-19-35-17-11-13-21-41(35)43)60-30-47(68)61-40-29-46(53(72)63-44-24-16-20-36-18-12-14-22-42(36)44)67(32-40)55(74)49(57(6,7)8)65-51(70)34(2)59-10/h11-14,17-18,21-22,25-27,33-34,40,43-46,48-49,58-60H,15-16,19-20,23-24,28-32H2,1-10H3,(H,61,68)(H,62,71)(H,63,72)(H,64,69)(H,65,70)/t33-,34-,40-,43?,44?,45-,46-,48+,49+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345196 (US9783573, Example 46) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Oc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C63H81N9O9/c1-36(64-9)54(73)69-52(62(3,4)5)59(78)71-34-43-31-45(30-29-42(43)32-50(71)57(76)67-48-23-15-19-38-17-11-13-21-46(38)48)81-61(80)41-27-25-40(26-28-41)56(75)66-44-33-51(58(77)68-49-24-16-20-39-18-12-14-22-47(39)49)72(35-44)60(79)53(63(6,7)8)70-55(74)37(2)65-10/h11-14,17-18,21-22,25-31,36-37,44,48-53,64-65H,15-16,19-20,23-24,32-35H2,1-10H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t36-,37-,44-,48+,49+,50-,51-,52+,53+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312107 ((S)-N-((S)-1-(3- Chlorophenyl) ethyl)-2-((S)- 3,3-...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN(C(C)c2cccc(Cl)c2)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C61H80ClN9O7/c1-36(63-10)53(72)67-51(60(4,5)6)58(77)70-34-44-20-13-12-19-43(44)31-50(70)57(76)69(38(3)42-22-16-23-45(62)30-42)33-39-26-28-41(29-27-39)55(74)65-46-32-49(56(75)66-48-25-17-21-40-18-14-15-24-47(40)48)71(35-46)59(78)52(61(7,8)9)68-54(73)37(2)64-11/h12-16,18-20,22-24,26-30,36-38,46,48-52,63-64H,17,21,25,31-35H2,1-11H3,(H,65,74)(H,66,75)(H,67,72)(H,68,73)/t36-,37-,38?,46?,48?,49-,50-,51+,52+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9603889 (2017) BindingDB Entry DOI: 10.7270/Q2C53NXV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345165 (N1-((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino...) Show SMILES CC[C@H](NC)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(cc3)C(=O)N[C@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)ccc2C[C@H]1C(=O)NC1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C64H84N10O8/c1-11-48(66-10)58(78)72-54(64(6,7)8)61(81)73-35-43-32-44(31-30-42(43)33-51(73)59(79)69-49-24-16-20-38-18-12-14-22-46(38)49)67-56(76)40-26-28-41(29-27-40)57(77)68-45-34-52(60(80)70-50-25-17-21-39-19-13-15-23-47(39)50)74(36-45)62(82)53(63(3,4)5)71-55(75)37(2)65-9/h12-15,18-19,22-23,26-32,37,45,48-54,65-66H,11,16-17,20-21,24-25,33-36H2,1-10H3,(H,67,76)(H,68,77)(H,69,79)(H,70,80)(H,71,75)(H,72,78)/t37-,45-,48-,49?,50?,51-,52-,53+,54+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312127 (US9603889, Example 38) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)C1(CN([C@@H](COC)c2ccccc2)C(=O)C2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)CC1)C(C)(C)C |r| Show InChI InChI=1S/C59H83N9O8/c1-36(60-9)50(69)64-48(57(3,4)5)54(73)66-32-41-24-16-15-23-40(41)30-46(66)53(72)68(47(34-76-11)39-21-13-12-14-22-39)35-59(28-29-59)56(75)62-42-31-45(52(71)63-44-27-19-25-38-20-17-18-26-43(38)44)67(33-42)55(74)49(58(6,7)8)65-51(70)37(2)61-10/h12-18,20-24,26,36-37,42,44-49,60-61H,19,25,27-35H2,1-11H3,(H,62,75)(H,63,71)(H,64,69)(H,65,70)/t36-,37-,42?,44?,45-,46?,47-,48+,49+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9603889 (2017) BindingDB Entry DOI: 10.7270/Q2C53NXV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345203 (N6-((3S)-2-((S)-3,3-Dimethyl-2-((S)- 2-(methylamin...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)n1ccc2ccc(cc12)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C65H83N11O8/c1-37(66-9)56(77)72-54(64(3,4)5)61(82)75-35-44-31-45(28-27-42(44)32-52(75)59(80)70-49-23-15-19-39-17-11-13-21-47(39)49)68-58(79)43-26-25-41-29-30-74(51(41)33-43)63(84)69-46-34-53(60(81)71-50-24-16-20-40-18-12-14-22-48(40)50)76(36-46)62(83)55(65(6,7)8)73-57(78)38(2)67-10/h11-14,17-18,21-22,25-31,33,37-38,46,49-50,52-55,66-67H,15-16,19-20,23-24,32,34-36H2,1-10H3,(H,68,79)(H,69,84)(H,70,80)(H,71,81)(H,72,77)(H,73,78)/t37-,38-,46?,49?,50?,52-,53-,54+,55+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312117 ((S)-2-((S)-3,3- Dimethyl-2-((S)-2- (methylamino) p...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN(C(C)c2ccccc2C)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C62H83N9O7/c1-37-20-13-17-25-47(37)40(4)69(58(76)51-32-44-22-14-15-23-45(44)35-70(51)59(77)52(61(5,6)7)67-54(72)38(2)63-11)34-41-28-30-43(31-29-41)56(74)65-46-33-50(57(75)66-49-27-19-24-42-21-16-18-26-48(42)49)71(36-46)60(78)53(62(8,9)10)68-55(73)39(3)64-12/h13-18,20-23,25-26,28-31,38-40,46,49-53,63-64H,19,24,27,32-36H2,1-12H3,(H,65,74)(H,66,75)(H,67,72)(H,68,73)/t38-,39-,40?,46?,49?,50-,51-,52+,53+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9603889 (2017) BindingDB Entry DOI: 10.7270/Q2C53NXV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345159 ((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)pro...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)CCc1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C65H86N10O8/c1-38(66-9)57(77)72-55(64(3,4)5)62(82)74-36-45-33-46(31-30-44(45)34-52(74)60(80)70-50-23-15-19-41-17-11-13-21-48(41)50)69-59(79)43-28-25-40(26-29-43)27-32-54(76)68-47-35-53(61(81)71-51-24-16-20-42-18-12-14-22-49(42)51)75(37-47)63(83)56(65(6,7)8)73-58(78)39(2)67-10/h11-14,17-18,21-22,25-26,28-31,33,38-39,47,50-53,55-56,66-67H,15-16,19-20,23-24,27,32,34-37H2,1-10H3,(H,68,76)(H,69,79)(H,70,80)(H,71,81)(H,72,77)(H,73,78)/t38-,39-,47-,50+,51+,52-,53-,55+,56+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair

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