Compile Data Set for Download or QSAR

Found 442 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
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249169 (US9453048, 11 | US9453048, 12) Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CCCC[C@@H]1C(=O)NC1CCCc2ccccc12 |r| Show InChI InChI=1S/C63H82N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-11,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,12-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249163 (US9453048, 4) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CC=CCC1C(=O)N[C@@H]1CCCc2ccccc12 |r,c:67| Show InChI InChI=1S/C62H79N9O8/c1-38(63-6)55(72)68-51(60(77)70-33-13-12-24-52(70)58(75)66-49-22-14-18-42-16-8-10-20-47(42)49)34-40-27-31-46(32-28-40)79-37-41-25-29-44(30-26-41)57(74)65-45-35-53(59(76)67-50-23-15-19-43-17-9-11-21-48(43)50)71(36-45)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h8-13,16-17,20-21,25-32,38-39,45,49-54,63-64H,14-15,18-19,22-24,33-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45?,49+,50?,51-,52?,53-,54+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249161 (US9453048, 2) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CCCC1C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-50(59(76)69-32-14-23-51(69)57(74)65-48-21-12-17-41-15-8-10-19-46(41)48)33-39-26-30-45(31-27-39)78-36-40-24-28-43(29-25-40)56(73)64-44-34-52(58(75)66-49-22-13-18-42-16-9-11-20-47(42)49)70(35-44)60(77)53(61(3,4)5)68-55(72)38(2)63-7/h8-11,15-16,19-20,24-31,37-38,44,48-53,62-63H,12-14,17-18,21-23,32-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44?,48+,49?,50-,51?,52-,53+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249167 (US9453048, 9) Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)C1CC=CC[C@H]1C(=O)NC1CCCc2ccccc12 |r,c:67| Show InChI InChI=1S/C63H80N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-13,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,14-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50+,51?,52?,53?,54-,56+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249174 (US9453048, 16) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)[C@H]3CCCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C |r| Show InChI InChI=1S/C62H81N9O8/c1-38(63-6)55(72)68-54(62(3,4)5)61(78)70-36-45(34-53(70)59(76)67-52-25-15-19-43-17-9-11-21-48(43)52)65-57(74)44-30-26-41(27-31-44)37-79-46-32-28-40(29-33-46)35-71(69-56(73)39(2)64-7)60(77)50-23-13-12-22-49(50)58(75)66-51-24-14-18-42-16-8-10-20-47(42)51/h8-11,16-17,20-21,26-33,38-39,45,49-54,63-64H,12-15,18-19,22-25,34-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45-,49+,50-,51?,52+,53?,54+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249162 (US9453048, 3) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CCCCC1C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C62H81N9O8/c1-38(63-6)55(72)68-51(60(77)70-33-13-12-24-52(70)58(75)66-49-22-14-18-42-16-8-10-20-47(42)49)34-40-27-31-46(32-28-40)79-37-41-25-29-44(30-26-41)57(74)65-45-35-53(59(76)67-50-23-15-19-43-17-9-11-21-48(43)50)71(36-45)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h8-11,16-17,20-21,25-32,38-39,45,49-54,63-64H,12-15,18-19,22-24,33-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45?,49+,50?,51-,52?,53-,54+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249172 (US9453048, 14) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C |r| Show InChI InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48-,49?,50?,51+,52?,53+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249168 (US9453048, 10) Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CC=CC[C@@H]1C(=O)NC1CCCc2ccccc12 |r,c:67| Show InChI InChI=1S/C63H80N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-13,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,14-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249165 (US9453048, 6) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(Oc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C65H79N9O8/c1-39(66-6)58(75)71-54(63(80)73-37-46-19-9-8-18-45(46)35-55(73)61(78)69-52-24-14-20-42-16-10-12-22-50(42)52)34-41-26-30-48(31-27-41)82-49-32-28-44(29-33-49)60(77)68-47-36-56(62(79)70-53-25-15-21-43-17-11-13-23-51(43)53)74(38-47)64(81)57(65(3,4)5)72-59(76)40(2)67-7/h8-13,16-19,22-23,26-33,39-40,47,52-57,66-67H,14-15,20-21,24-25,34-38H2,1-7H3,(H,68,77)(H,69,78)(H,70,79)(H,71,75)(H,72,76)/t39-,40-,47?,52+,53?,54-,55?,56-,57+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249160 (US9453048, 1) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCCc2ccccc12 |r| Show InChI InChI=1S/C66H81N9O8/c1-40(67-6)59(76)72-55(64(81)74-37-48-19-9-8-18-47(48)35-56(74)62(79)70-53-24-14-20-44-16-10-12-22-51(44)53)34-42-28-32-50(33-29-42)83-39-43-26-30-46(31-27-43)61(78)69-49-36-57(63(80)71-54-25-15-21-45-17-11-13-23-52(45)54)75(38-49)65(82)58(66(3,4)5)73-60(77)41(2)68-7/h8-13,16-19,22-23,26-33,40-41,49,53-58,67-68H,14-15,20-21,24-25,34-39H2,1-7H3,(H,69,78)(H,70,79)(H,71,80)(H,72,76)(H,73,77)/t40-,41-,49-,53?,54?,55-,56-,57-,58+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249166 (US9453048, 7) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(NCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C66H82N10O7/c1-40(67-6)59(77)73-55(64(82)75-38-48-19-9-8-18-47(48)35-56(75)62(80)71-53-24-14-20-44-16-10-12-22-51(44)53)34-42-28-32-49(33-29-42)69-37-43-26-30-46(31-27-43)61(79)70-50-36-57(63(81)72-54-25-15-21-45-17-11-13-23-52(45)54)76(39-50)65(83)58(66(3,4)5)74-60(78)41(2)68-7/h8-13,16-19,22-23,26-33,40-41,50,53-58,67-69H,14-15,20-21,24-25,34-39H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t40-,41-,50?,53+,54?,55-,56?,57-,58+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249171 (US9453048, 13 | US9453048, 15) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C |r| Show InChI InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48+,49?,50?,51+,52?,53+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249164 (US9453048, 5) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(C(=O)NC3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)c(F)c2)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C66H80FN9O8/c1-39(68-6)59(77)73-55(64(82)75-36-46-19-9-8-18-45(46)34-56(75)62(80)71-53-24-14-20-43-16-10-12-22-49(43)53)33-41-26-29-48(30-27-41)84-38-42-28-31-51(52(67)32-42)61(79)70-47-35-57(63(81)72-54-25-15-21-44-17-11-13-23-50(44)54)76(37-47)65(83)58(66(3,4)5)74-60(78)40(2)69-7/h8-13,16-19,22-23,26-32,39-40,47,53-58,68-69H,14-15,20-21,24-25,33-38H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t39-,40-,47?,53+,54?,55-,56?,57-,58+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249178 (US9453048, 20) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(\C=C\c2ccc(cc2)C(=O)NC2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C67H81N9O7/c1-41(68-6)60(77)73-56(65(82)75-39-50-19-9-8-18-49(50)37-57(75)63(80)71-54-24-14-20-46-16-10-12-22-52(46)54)36-45-30-28-43(29-31-45)26-27-44-32-34-48(35-33-44)62(79)70-51-38-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)76(40-51)66(83)59(67(3,4)5)74-61(78)42(2)69-7/h8-13,16-19,22-23,26-35,41-42,51,54-59,68-69H,14-15,20-21,24-25,36-40H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/b27-26+/t41-,42-,51?,54+,55+,56-,57?,58?,59+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249177 (US9453048, 19) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCCc2ccccc12 |r| Show InChI InChI=1S/C67H83N9O7/c1-41(68-6)60(77)73-56(65(82)75-39-50-19-9-8-18-49(50)37-57(75)63(80)71-54-24-14-20-46-16-10-12-22-52(46)54)36-45-30-28-43(29-31-45)26-27-44-32-34-48(35-33-44)62(79)70-51-38-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)76(40-51)66(83)59(67(3,4)5)74-61(78)42(2)69-7/h8-13,16-19,22-23,28-35,41-42,51,54-59,68-69H,14-15,20-21,24-27,36-40H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t41-,42-,51?,54?,55?,56-,57-,58-,59+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249176 (US9453048, 18) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)C1CCCc2ccccc12 |r| Show InChI InChI=1S/C68H85N9O7/c1-42(69-6)61(78)73-56(65(82)76-40-51-20-10-9-19-50(51)38-59(76)66(83)75(8)57-26-16-22-48-18-12-14-24-54(48)57)37-46-31-29-44(30-32-46)27-28-45-33-35-49(36-34-45)63(80)71-52-39-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)77(41-52)67(84)60(68(3,4)5)74-62(79)43(2)70-7/h9-14,17-20,23-24,29-36,42-43,52,55-60,69-70H,15-16,21-22,25-28,37-41H2,1-8H3,(H,71,80)(H,72,81)(H,73,78)(H,74,79)/t42-,43-,52?,55?,56-,57?,58-,59-,60+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249171 (US9453048, 13 | US9453048, 15) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C |r| Show InChI InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48+,49?,50?,51+,52?,53+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249169 (US9453048, 11 | US9453048, 12) Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CCCC[C@@H]1C(=O)NC1CCCc2ccccc12 |r| Show InChI InChI=1S/C63H82N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-11,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,12-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249175 (US9453048, 17) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C |r| Show InChI InChI=1S/C62H81N9O8/c1-38(63-6)55(72)68-54(62(3,4)5)61(78)70-36-45(34-53(70)59(76)67-52-25-15-19-43-17-9-11-21-48(43)52)65-57(74)44-30-26-41(27-31-44)37-79-46-32-28-40(29-33-46)35-71(69-56(73)39(2)64-7)60(77)50-23-13-12-22-49(50)58(75)66-51-24-14-18-42-16-8-10-20-47(42)51/h8-11,16-17,20-21,26-33,38-39,45,49-54,63-64H,12-15,18-19,22-25,34-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45-,49+,50+,51?,52+,53?,54+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company 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 N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM205375 (US9249151, 21 | US9249151, 60) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nc(C)nc2c(C)nn(C)c12 Show InChI InChI=1S/C23H24ClN9O2/c1-11-19-21(33(5)32-11)20(28-13(3)27-19)14-8-17(30-22(34)12(2)25-4)29-18(9-14)31-23(35)16-7-6-15(24)10-26-16/h6-10,12,25H,1-5H3,(H2,29,30,31,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM205417 (US9249151, 63) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nc(OC)nc2c(C)nn(C)c12 Show InChI InChI=1S/C23H24ClN9O3/c1-11-18-20(33(4)32-11)19(31-23(30-18)36-5)13-8-16(28-21(34)12(2)25-3)27-17(9-13)29-22(35)15-7-6-14(24)10-26-15/h6-10,12,25H,1-5H3,(H2,27,28,29,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM240880 (US9409888, 2) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)N1C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc12 Show InChI InChI=1S/C60H70BrN9O8/c1-35(62-3)54(71)66-48-34-70(50-21-12-11-20-49(50)69(59(48)76)33-46-44-28-27-42(61)30-41(44)26-29-52(46)78-5)58(75)40-24-22-39(23-25-40)56(73)64-43-31-51(57(74)65-47-19-13-17-37-14-9-10-18-45(37)47)68(32-43)60(77)53(38-15-7-6-8-16-38)67-55(72)36(2)63-4/h9-12,14,18,20-30,35-36,38,43,47-48,51,53,62-63H,6-8,13,15-17,19,31-34H2,1-5H3,(H,64,73)(H,65,74)(H,66,71)(H,67,72)/t35-,36-,43-,47+,48-,51-,53-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.33	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US9409888 (2016) BindingDB Entry DOI: 10.7270/Q2R78D4N
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM205365 (US9249151, 11) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1cccc2nc(C)c(C)n12 Show InChI InChI=1S/C24H24ClN7O2/c1-13-15(3)32-19(6-5-7-22(32)28-13)16-10-20(30-23(33)14(2)26-4)29-21(11-16)31-24(34)18-9-8-17(25)12-27-18/h5-12,14,26H,1-4H3,(H2,29,30,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM422082 (US10508103, Embodiment 39) Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MEDSHINE DISCOVERY INC. US Patent					Assay Description 1) Affinity of compounds listed in table to cIAP1-BIR3, Ciap2-BIR3, XIAP-BIR3 was tested referring to Nikolovska-Colesks, Z. et.Al. (Analytical Bioch...				US Patent US10508103 (2019) BindingDB Entry DOI: 10.7270/Q25141MH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM422084 (US10508103, Embodiment 42) Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1Cn1c(nc2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MEDSHINE DISCOVERY INC. US Patent					Assay Description 1) Affinity of compounds listed in table to cIAP1-BIR3, Ciap2-BIR3, XIAP-BIR3 was tested referring to Nikolovska-Colesks, Z. et.Al. (Analytical Bioch...				US Patent US10508103 (2019) BindingDB Entry DOI: 10.7270/Q25141MH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM422086 (US10508103, Embodiment 44) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CC1)C(=O)N1CC(F)(F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1CC(F)(F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MEDSHINE DISCOVERY INC. US Patent					Assay Description 1) Affinity of compounds listed in table to cIAP1-BIR3, Ciap2-BIR3, XIAP-BIR3 was tested referring to Nikolovska-Colesks, Z. et.Al. (Analytical Bioch...				US Patent US10508103 (2019) BindingDB Entry DOI: 10.7270/Q25141MH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM422081 (US10508103, Embodiment 38) Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MEDSHINE DISCOVERY INC. US Patent					Assay Description 1) Affinity of compounds listed in table to cIAP1-BIR3, Ciap2-BIR3, XIAP-BIR3 was tested referring to Nikolovska-Colesks, Z. et.Al. (Analytical Bioch...				US Patent US10508103 (2019) BindingDB Entry DOI: 10.7270/Q25141MH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM422075 (US10508103, Embodiment 28) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(nc2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MEDSHINE DISCOVERY INC. US Patent					Assay Description 1) Affinity of compounds listed in table to cIAP1-BIR3, Ciap2-BIR3, XIAP-BIR3 was tested referring to Nikolovska-Colesks, Z. et.Al. (Analytical Bioch...				US Patent US10508103 (2019) BindingDB Entry DOI: 10.7270/Q25141MH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM422074 (US10508103, Embodiment 27) Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(nc2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MEDSHINE DISCOVERY INC. US Patent					Assay Description 1) Affinity of compounds listed in table to cIAP1-BIR3, Ciap2-BIR3, XIAP-BIR3 was tested referring to Nikolovska-Colesks, Z. et.Al. (Analytical Bioch...				US Patent US10508103 (2019) BindingDB Entry DOI: 10.7270/Q25141MH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM422073 (US10508103, Embodiment 26) Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(nc2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MEDSHINE DISCOVERY INC. US Patent					Assay Description 1) Affinity of compounds listed in table to cIAP1-BIR3, Ciap2-BIR3, XIAP-BIR3 was tested referring to Nikolovska-Colesks, Z. et.Al. (Analytical Bioch...				US Patent US10508103 (2019) BindingDB Entry DOI: 10.7270/Q25141MH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM422064 (US10508103, Embodiment 17) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCC1)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MEDSHINE DISCOVERY INC. US Patent					Assay Description 1) Affinity of compounds listed in table to cIAP1-BIR3, Ciap2-BIR3, XIAP-BIR3 was tested referring to Nikolovska-Colesks, Z. et.Al. (Analytical Bioch...				US Patent US10508103 (2019) BindingDB Entry DOI: 10.7270/Q25141MH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM213387 (US9278978, 22) Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1cccs1)-c1nc(C)nc2nn(C)c(C)c12 |r| Show InChI InChI=1S/C23H23N7OS/c1-13(24-4)23(31)28-19-12-16(11-17(27-19)8-9-18-7-6-10-32-18)21-20-14(2)30(5)29-22(20)26-15(3)25-21/h6-7,10-13,24H,1-5H3,(H,27,28,31)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...				US Patent US9278978 (2016) BindingDB Entry DOI: 10.7270/Q2JM28G4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM205413 (US9249151, 59) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nc(C)nc2c(C)c(C)n(C)c12 Show InChI InChI=1S/C25H27ClN8O2/c1-12-14(3)34(6)23-21(12)29-15(4)30-22(23)16-9-19(32-24(35)13(2)27-5)31-20(10-16)33-25(36)18-8-7-17(26)11-28-18/h7-11,13,27H,1-6H3,(H2,31,32,33,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM213372 (US9278978, 7) Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1ncnc2cnn(C)c12 |r| Show InChI InChI=1S/C23H21N7O/c1-15(24-2)23(31)29-20-12-17(21-22-19(25-14-26-21)13-27-30(22)3)11-18(28-20)10-9-16-7-5-4-6-8-16/h4-8,11-15,24H,1-3H3,(H,28,29,31)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...				US Patent US9278978 (2016) BindingDB Entry DOI: 10.7270/Q2JM28G4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM254001 (US9481673, (S)-11) Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(C)c2)c(n1)C#Cc1ccccc1 |r,wU:2.2,(-5.01,-4.53,;-6.34,-3.76,;-6.34,-2.22,;-7.68,-1.45,;-5.01,-1.45,;-5.01,.09,;-3.67,-2.22,;-2.34,-1.45,;-2.34,.09,;-1.01,.86,;.33,.09,;1.66,.86,;1.66,2.4,;3.12,2.88,;4.03,1.63,;5.56,1.47,;6.19,.06,;7.68,-.33,;5.28,-1.18,;3.75,-1.02,;3.12,.39,;.57,3.49,;.97,4.98,;-.12,6.07,;-1.61,5.67,;-2.01,4.18,;-3.49,3.78,;-.92,3.09,;.33,-1.45,;-1.01,-2.22,;1.66,-2.22,;2.99,-2.99,;4.33,-3.76,;4.33,-5.3,;5.66,-6.07,;6.99,-5.3,;6.99,-3.76,;5.66,-2.99,)| Show InChI InChI=1S/C31H28N6O/c1-20-15-17-37-28(18-20)36-29(24-14-16-33-21(2)19-24)30(37)25-11-13-27(35-31(38)22(3)32-4)34-26(25)12-10-23-8-6-5-7-9-23/h5-9,11,13-19,22,32H,1-4H3,(H,34,35,38)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	25
Boehringer ingelheim International GmbH US Patent					Assay Description BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% Triton X100) for on...				US Patent US9481673 (2016) BindingDB Entry DOI: 10.7270/Q24M93G0
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM205370 (US9249151, 16) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ncnc2nc(C)n(C)c12 Show InChI InChI=1S/C22H22ClN9O2/c1-11(24-3)21(33)30-16-7-13(18-19-20(27-10-26-18)28-12(2)32(19)4)8-17(29-16)31-22(34)15-6-5-14(23)9-25-15/h5-11,24H,1-4H3,(H2,29,30,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM205380 (US9249151, 26) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(C)nc(C)c2c1n(C)n(C)c2=O Show InChI InChI=1S/C25H27ClN8O3/c1-12-20(22-21(13(2)29-12)25(37)34(6)33(22)5)15-9-18(31-23(35)14(3)27-4)30-19(10-15)32-24(36)17-8-7-16(26)11-28-17/h7-11,14,27H,1-6H3,(H2,30,31,32,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM205405 (US9249151, 51) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(OC)cn2)n1)-c1cccc2nc(C)c(C)n12 Show InChI InChI=1S/C25H27N7O3/c1-14-16(3)32-20(7-6-8-23(32)28-14)17-11-21(30-24(33)15(2)26-4)29-22(12-17)31-25(34)19-10-9-18(35-5)13-27-19/h6-13,15,26H,1-5H3,(H2,29,30,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM205369 (US9249151, 15) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ncnc2oc(C)c(C)c12 Show InChI InChI=1S/C23H22ClN7O3/c1-11-13(3)34-23-19(11)20(27-10-28-23)14-7-17(30-21(32)12(2)25-4)29-18(8-14)31-22(33)16-6-5-15(24)9-26-16/h5-10,12,25H,1-4H3,(H2,29,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM205355 (US9249151, 1) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ncnc2c(C)nn(C)c12 Show InChI InChI=1S/C22H22ClN9O2/c1-11-18-20(32(4)31-11)19(27-10-26-18)13-7-16(29-21(33)12(2)24-3)28-17(8-13)30-22(34)15-6-5-14(23)9-25-15/h5-10,12,24H,1-4H3,(H2,28,29,30,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM205368 (US9249151, 14) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ncnc2cccc(F)c12 Show InChI InChI=1S/C23H19ClFN7O2/c1-12(26-2)22(33)31-18-8-13(21-20-15(25)4-3-5-16(20)28-11-29-21)9-19(30-18)32-23(34)17-7-6-14(24)10-27-17/h3-12,26H,1-2H3,(H2,30,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM213375 (US9278978, 10) Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1ncnc2oc(C)c(C)c12 |r| Show InChI InChI=1S/C25H23N5O2/c1-15-17(3)32-25-22(15)23(27-14-28-25)19-12-20(11-10-18-8-6-5-7-9-18)29-21(13-19)30-24(31)16(2)26-4/h5-9,12-14,16,26H,1-4H3,(H,29,30,31)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...				US Patent US9278978 (2016) BindingDB Entry DOI: 10.7270/Q2JM28G4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM240881 (US9409888, 1) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@H](C[C@@H]1C(=O)NCc1ccccc1)NC(=O)c1ccc(cc1)C(=O)N1C[C@H](NC(=O)[C@@H](C)NC)C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc12 Show InChI InChI=1S/C57H66BrN9O8/c1-34(59-3)51(68)63-45-33-67(47-19-13-12-18-46(47)66(56(45)73)32-44-43-26-25-41(58)28-40(43)24-27-49(44)75-5)55(72)39-22-20-38(21-23-39)53(70)62-42-29-48(54(71)61-30-36-14-8-6-9-15-36)65(31-42)57(74)50(37-16-10-7-11-17-37)64-52(69)35(2)60-4/h6,8-9,12-15,18-28,34-35,37,42,45,48,50,59-60H,7,10-11,16-17,29-33H2,1-5H3,(H,61,71)(H,62,70)(H,63,68)(H,64,69)/t34-,35+,42-,45+,48-,50+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27.2	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US9409888 (2016) BindingDB Entry DOI: 10.7270/Q2R78D4N
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM205362 (US9249151, 8 | US9249151, 9) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nccc2cccc(C)c12 Show InChI InChI=1S/C25H23ClN6O2/c1-14-5-4-6-16-9-10-28-23(22(14)16)17-11-20(31-24(33)15(2)27-3)30-21(12-17)32-25(34)19-8-7-18(26)13-29-19/h4-13,15,27H,1-3H3,(H2,30,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM213379 (US9278978, 14) Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1c(C)nc(C)c2c1n(C)n(C)c2=O |r| Show InChI InChI=1S/C31H31N7O2/c1-17-25-11-9-21(14-22(25)12-13-33-17)8-10-24-15-23(16-26(35-24)36-30(39)20(4)32-5)27-18(2)34-19(3)28-29(27)37(6)38(7)31(28)40/h9,11-16,20,32H,1-7H3,(H,35,36,39)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...				US Patent US9278978 (2016) BindingDB Entry DOI: 10.7270/Q2JM28G4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM205415 (US9249151, 61) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ncc(Cl)cc2C)n1)-c1ncnc2c(C)nn(C)c12 Show InChI InChI=1S/C23H24ClN9O2/c1-11-6-15(24)9-26-18(11)23(35)31-17-8-14(7-16(29-17)30-22(34)13(3)25-4)20-21-19(27-10-28-20)12(2)32-33(21)5/h6-10,13,25H,1-5H3,(H2,29,30,31,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM205375 (US9249151, 21 | US9249151, 60) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nc(C)nc2c(C)nn(C)c12 Show InChI InChI=1S/C23H24ClN9O2/c1-11-19-21(33(5)32-11)20(28-13(3)27-19)14-8-17(30-22(34)12(2)25-4)29-18(9-14)31-23(35)16-7-6-15(24)10-26-16/h6-10,12,25H,1-5H3,(H2,29,30,31,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM205406 (US9249151, 52) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1cncc2ccn(C)c12 Show InChI InChI=1S/C23H22ClN7O2/c1-13(25-2)22(32)29-19-8-15(17-12-26-10-14-6-7-31(3)21(14)17)9-20(28-19)30-23(33)18-5-4-16(24)11-27-18/h4-13,25H,1-3H3,(H2,28,29,30,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM205402 (US9249151, 48) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cc3COCc3cn2)n1)-c1cccc2nc(C)c(C)n12 Show InChI InChI=1S/C26H27N7O3/c1-14-16(3)33-21(6-5-7-24(33)29-14)17-9-22(31-25(34)15(2)27-4)30-23(10-17)32-26(35)20-8-18-12-36-13-19(18)11-28-20/h5-11,15,27H,12-13H2,1-4H3,(H2,30,31,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM213383 (US9278978, 18) Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1nc(C)nc2nn(C)c(C)c12 |r| Show InChI InChI=1S/C29H28N8O/c1-16-24-10-8-20(13-21(24)11-12-31-16)7-9-23-14-22(15-25(34-23)35-29(38)17(2)30-5)27-26-18(3)37(6)36-28(26)33-19(4)32-27/h8,10-15,17,30H,1-6H3,(H,34,35,38)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...				US Patent US9278978 (2016) BindingDB Entry DOI: 10.7270/Q2JM28G4
					More data for this Ligand-Target Pair

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