Compile Data Set for Download or QSAR

Found 127 hits with Last Name = 'young' and Initial = 'ja'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM391804 (US10300074, Product 17a | US11111270, Compound 27) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@@H]2N(C(C(=O)N[C@@H]3CCCc4ccccc34)c3ccccc23)C1=O |r,w:13.13| Show InChI InChI=1S/C27H32N4O4/c1-16(28-2)24(32)30-22-14-15-35-27-20-12-6-5-11-19(20)23(31(27)26(22)34)25(33)29-21-13-7-9-17-8-3-4-10-18(17)21/h3-6,8,10-12,16,21-23,27-28H,7,9,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,21+,22-,23?,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM391852 (US10300074, Compd 47) Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2cc(O)ccc2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:25.27| Show InChI InChI=1S/C30H38N4O4/c1-17(31-4)27(36)33-24-15-19-14-20(35)12-13-22(19)25-16-30(2,3)26(34(25)29(24)38)28(37)32-23-11-7-9-18-8-5-6-10-21(18)23/h5-6,8,10,12-14,17,23-26,31,35H,7,9,11,15-16H2,1-4H3,(H,32,37)(H,33,36)/t17-,23+,24-,25+,26?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [1-168]/[124-242] (Homo sapiens (Human))	BDBM391805 (US10300074, Product 17b) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391805 (US10300074, Product 17b) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM391805 (US10300074, Product 17b) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [1-168]/[124-242] (Homo sapiens (Human))	BDBM391806 (US10300074, Product 17c | US11111270, Compound 35) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:16.21| Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391806 (US10300074, Product 17c | US11111270, Compound 35) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:16.21| Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM391806 (US10300074, Product 17c | US11111270, Compound 35) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:16.21| Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391813 (US10300074, Compd 9 | US11111270, Compound 9) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12 |r| Show InChI InChI=1S/C22H30N4O4/c1-13(23-2)20(27)25-17-12-30-19-11-10-18(26(19)22(17)29)21(28)24-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,13,16-19,23H,5,7,9-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,16?,17-,18?,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391814 (US10300074, Compd 10 | US11111270, Compound 10) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@@H](C)O[C@H]2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12 |r,w:14.19| Show InChI InChI=1S/C23H32N4O4/c1-13(24-3)21(28)26-20-14(2)31-19-12-11-18(27(19)23(20)30)22(29)25-17-10-6-8-15-7-4-5-9-16(15)17/h4-5,7,9,13-14,17-20,24H,6,8,10-12H2,1-3H3,(H,25,29)(H,26,28)/t13-,14+,17?,18?,19-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM391814 (US10300074, Compd 10 | US11111270, Compound 10) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@@H](C)O[C@H]2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12 |r,w:14.19| Show InChI InChI=1S/C23H32N4O4/c1-13(24-3)21(28)26-20-14(2)31-19-12-11-18(27(19)23(20)30)22(29)25-17-10-6-8-15-7-4-5-9-16(15)17/h4-5,7,9,13-14,17-20,24H,6,8,10-12H2,1-3H3,(H,25,29)(H,26,28)/t13-,14+,17?,18?,19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391816 (US10300074, Compd 12 | US11111270, Compound 12) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:14.19| Show InChI InChI=1S/C23H32N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19?,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM391816 (US10300074, Compd 12 | US11111270, Compound 12) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:14.19| Show InChI InChI=1S/C23H32N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19?,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [1-168]/[124-242] (Homo sapiens (Human))	BDBM391817 (US10300074, Compd 13) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12 |r,w:14.19| Show InChI InChI=1S/C23H28N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14,18-20,24H,10-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,18-,19?,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391817 (US10300074, Compd 13) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12 |r,w:14.19| Show InChI InChI=1S/C23H28N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14,18-20,24H,10-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,18-,19?,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391819 (US10300074, Compd 14 | US11111270, Compound 14) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r,w:14.19| Show InChI InChI=1S/C26H32N4O4/c1-17(27-2)24(31)28-20-15-16-34-22-14-13-21(30(22)26(20)33)25(32)29-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-23,27H,13-16H2,1-2H3,(H,28,31)(H,29,32)/t17-,20-,21?,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM391819 (US10300074, Compd 14 | US11111270, Compound 14) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r,w:14.19| Show InChI InChI=1S/C26H32N4O4/c1-17(27-2)24(31)28-20-15-16-34-22-14-13-21(30(22)26(20)33)25(32)29-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-23,27H,13-16H2,1-2H3,(H,28,31)(H,29,32)/t17-,20-,21?,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391821 (US10300074, Compd 16) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCNC2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12 |r,w:12.11,15.20| Show InChI InChI=1S/C24H35N5O3/c1-15(25-2)22(30)28-19-11-6-14-26-21-13-12-20(29(21)24(19)32)23(31)27-18-10-5-8-16-7-3-4-9-17(16)18/h3-4,7,9,15,18-21,25-26H,5-6,8,10-14H2,1-2H3,(H,27,31)(H,28,30)/t15-,18?,19-,20?,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [1-168]/[124-242] (Homo sapiens (Human))	BDBM391822 (US10300074, Compd 17) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCNC2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12 |r,w:12.11,15.20| Show InChI InChI=1S/C24H31N5O3/c1-15(25-2)22(30)28-19-11-6-14-26-21-13-12-20(29(21)24(19)32)23(31)27-18-10-5-8-16-7-3-4-9-17(16)18/h3-5,7-10,15,19-21,25-26H,6,11-14H2,1-2H3,(H,27,31)(H,28,30)/t15-,19-,20?,21?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391822 (US10300074, Compd 17) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCNC2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12 |r,w:12.11,15.20| Show InChI InChI=1S/C24H31N5O3/c1-15(25-2)22(30)28-19-11-6-14-26-21-13-12-20(29(21)24(19)32)23(31)27-18-10-5-8-16-7-3-4-9-17(16)18/h3-5,7-10,15,19-21,25-26H,6,11-14H2,1-2H3,(H,27,31)(H,28,30)/t15-,19-,20?,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391825 (US10300074, Compd 20 | US10300074, Compd 21) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCN(C2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12)C(C)=O |r,w:13.12,15.20| Show InChI InChI=1S/C26H37N5O4/c1-16(27-3)24(33)29-21-12-7-15-30(17(2)32)23-14-13-22(31(23)26(21)35)25(34)28-20-11-6-9-18-8-4-5-10-19(18)20/h4-5,8,10,16,20-23,27H,6-7,9,11-15H2,1-3H3,(H,28,34)(H,29,33)/t16-,20?,21-,22?,23?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391825 (US10300074, Compd 20 | US10300074, Compd 21) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCN(C2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12)C(C)=O |r,w:13.12,15.20| Show InChI InChI=1S/C26H37N5O4/c1-16(27-3)24(33)29-21-12-7-15-30(17(2)32)23-14-13-22(31(23)26(21)35)25(34)28-20-11-6-9-18-8-4-5-10-19(18)20/h4-5,8,10,16,20-23,27H,6-7,9,11-15H2,1-3H3,(H,28,34)(H,29,33)/t16-,20?,21-,22?,23?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391829 (US10300074, Compd 24) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:18.19| Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19?,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM391829 (US10300074, Compd 24) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:18.19| Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19?,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [1-168]/[124-242] (Homo sapiens (Human))	BDBM391830 (US10300074, Compd 25 | US11111270, Compound 25) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C23H28N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14,18-20,24H,10-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,18-,19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391830 (US10300074, Compd 25 | US11111270, Compound 25) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C23H28N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14,18-20,24H,10-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [1-168]/[124-242] (Homo sapiens (Human))	BDBM391831 (US10300074, Compd 26 | US11111270, Compound 26) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391831 (US10300074, Compd 26 | US11111270, Compound 26) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM391831 (US10300074, Compd 26 | US11111270, Compound 26) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391832 (US10300074, Compd 27) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@@H]2N(C(C(=O)N[C@@H]3CCCc4ccccc34)c3ccccc23)C1=O |r,w:14.13| Show InChI InChI=1S/C27H32N4O4/c1-16(28-2)24(32)30-22-14-15-35-27-20-12-6-5-11-19(20)23(31(27)26(22)34)25(33)29-21-13-7-9-17-8-3-4-10-18(17)21/h3-6,8,10-12,16,21-23,27-28H,7,9,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,21+,22-,23?,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM391832 (US10300074, Compd 27) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@@H]2N(C(C(=O)N[C@@H]3CCCc4ccccc34)c3ccccc23)C1=O |r,w:14.13| Show InChI InChI=1S/C27H32N4O4/c1-16(28-2)24(32)30-22-14-15-35-27-20-12-6-5-11-19(20)23(31(27)26(22)34)25(33)29-21-13-7-9-17-8-3-4-10-18(17)21/h3-6,8,10-12,16,21-23,27-28H,7,9,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,21+,22-,23?,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [1-168]/[124-242] (Homo sapiens (Human))	BDBM391835 (US10300074, Compd 30 | US10300074, Compd 31 | US11...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2c([nH]c3ccccc23)[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391835 (US10300074, Compd 30 | US10300074, Compd 31 | US11...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2c([nH]c3ccccc23)[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391837 (US10300074, Compd 32 | US11111270, Compound 32) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C22H30N4O5/c1-13(23-2)20(27)25-16-10-12-31-19-8-7-17(26(19)22(16)29)21(28)24-15-9-11-30-18-6-4-3-5-14(15)18/h3-6,13,15-17,19,23H,7-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,15+,16-,17-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM391837 (US10300074, Compd 32 | US11111270, Compound 32) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C22H30N4O5/c1-13(23-2)20(27)25-16-10-12-31-19-8-7-17(26(19)22(16)29)21(28)24-15-9-11-30-18-6-4-3-5-14(15)18/h3-6,13,15-17,19,23H,7-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,15+,16-,17-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391838 (US10300074, Compd 33 | US11111270, Compound 33) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C23H32N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM391838 (US10300074, Compd 33 | US11111270, Compound 33) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C23H32N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391839 (US10300074, Compd 34 | US11111270, Compound 34) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM391839 (US10300074, Compd 34 | US11111270, Compound 34) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [1-168]/[124-242] (Homo sapiens (Human))	BDBM391840 (US10300074, Compd 35 | US20230295181, Compound A) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:20.21| Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391840 (US10300074, Compd 35 | US20230295181, Compound A) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:20.21| Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM391840 (US10300074, Compd 35 | US20230295181, Compound A) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:20.21| Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391841 (US10300074, Compd 36 | US11111270, Compound 36) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM391841 (US10300074, Compd 36 | US11111270, Compound 36) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19+,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391842 (US10300074, Compd 37 | US11111270, Compound 37) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C23H32N4O5S/c1-14(24-2)21(28)26-18-12-13-33(31,32)20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [1-168]/[124-242] (Homo sapiens (Human))	BDBM391845 (US10300074, Compd 40) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)C(N2C1=O)C(=O)Nc1ccccc1SSc1ccccc1NC(=O)C1N2[C@H](CC1(C)C)OCC[C@H](NC(=O)[C@H](C)NC)C2=O |r,w:38.43,20.21| Show InChI InChI=1S/C42H58N8O8S2/c1-23(43-7)35(51)47-27-17-19-57-31-21-41(3,4)33(49(31)39(27)55)37(53)45-25-13-9-11-15-29(25)59-60-30-16-12-10-14-26(30)46-38(54)34-42(5,6)22-32-50(34)40(56)28(18-20-58-32)48-36(52)24(2)44-8/h9-16,23-24,27-28,31-34,43-44H,17-22H2,1-8H3,(H,45,53)(H,46,54)(H,47,51)(H,48,52)/t23-,24-,27-,28-,31-,32-,33?,34?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391845 (US10300074, Compd 40) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)C(N2C1=O)C(=O)Nc1ccccc1SSc1ccccc1NC(=O)C1N2[C@H](CC1(C)C)OCC[C@H](NC(=O)[C@H](C)NC)C2=O |r,w:38.43,20.21| Show InChI InChI=1S/C42H58N8O8S2/c1-23(43-7)35(51)47-27-17-19-57-31-21-41(3,4)33(49(31)39(27)55)37(53)45-25-13-9-11-15-29(25)59-60-30-16-12-10-14-26(30)46-38(54)34-42(5,6)22-32-50(34)40(56)28(18-20-58-32)48-36(52)24(2)44-8/h9-16,23-24,27-28,31-34,43-44H,17-22H2,1-8H3,(H,45,53)(H,46,54)(H,47,51)(H,48,52)/t23-,24-,27-,28-,31-,32-,33?,34?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [1-168]/[124-242] (Homo sapiens (Human))	BDBM391846 (US10300074, Compd 41) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:19.20| Show InChI InChI=1S/C24H34N4O3S/c1-15(25-2)22(29)27-19-13-14-32-21-12-6-11-20(28(21)24(19)31)23(30)26-18-10-5-8-16-7-3-4-9-17(16)18/h3-4,7,9,15,18-21,25H,5-6,8,10-14H2,1-2H3,(H,26,30)(H,27,29)/t15-,18+,19-,20?,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM391846 (US10300074, Compd 41) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:19.20| Show InChI InChI=1S/C24H34N4O3S/c1-15(25-2)22(29)27-19-13-14-32-21-12-6-11-20(28(21)24(19)31)23(30)26-18-10-5-8-16-7-3-4-9-17(16)18/h3-4,7,9,15,18-21,25H,5-6,8,10-14H2,1-2H3,(H,26,30)(H,27,29)/t15-,18+,19-,20?,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [1-168]/[124-242] (Homo sapiens (Human))	BDBM391847 (US10300074, Compd 42) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CC=CC3)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:22.24,c:15| Show InChI InChI=1S/C27H36N4O4/c1-17(28-2)24(32)30-21-12-15-35-22-16-27(13-5-6-14-27)23(31(22)26(21)34)25(33)29-20-11-7-9-18-8-3-4-10-19(18)20/h3-6,8,10,17,20-23,28H,7,9,11-16H2,1-2H3,(H,29,33)(H,30,32)/t17-,20+,21-,22-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair

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