Compile Data Set for Download or QSAR

Found 45 hits of ki 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 [265-330] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518286 (US11111270, Compound 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:14.19| 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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518282 (US11111270, Compound 20 | US11111270, Compound 21) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCN(C2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12)C(C)=O |r,w:13.12,19.20| 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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518282 (US11111270, Compound 20 | US11111270, Compound 21) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCN(C2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12)C(C)=O |r,w:13.12,19.20| 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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518275 (US11111270, Compound 17) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCNC2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12 |r,w:12.11,19.20| 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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518274 (US11111270, Compound 16) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCNC2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:12.11,19.20| 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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518266 (US11111270, Compound 13) Show SMILES CN[C@@H](C)C(=O)NC1CCO[C@H]2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12 |r,w:14.19| 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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518375 (US11111270, Compound 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:16.21,40.43| Show InChI	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518376 (US11111270, Compound 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:15.20| 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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518377 (US11111270, Compound 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:18.24,c:15| 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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518378 (US11111270, Compound 43) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CCCC3)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:18.24| 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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518379 (US11111270, Compound 44) Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2ccc(O)c(O)c2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:22.28| 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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518381 (US11111270, Compound 45) Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2ccc(O)cc2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:21.27| 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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM391851 (US10300074, Compd 46 | US11111270, Compound 46) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CC(=O)N[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C25H35N5O4/c1-14(26-4)22(32)28-18-12-20(31)29-19-13-25(2,3)21(30(19)24(18)34)23(33)27-17-11-7-9-15-8-5-6-10-16(15)17/h5-6,8,10,14,17-19,21,26H,7,9,11-13H2,1-4H3,(H,27,33)(H,28,32)(H,29,31)/t14-,17+,18-,19+,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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518384 (US11111270, Compound 47) Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2cccc(O)c2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:21.27| 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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518278 (US11111270, Compound 18 | US11111270, Compound 19) Show SMILES C[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCCN([C@H]2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12)C(C)=O |r,w:22.23| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM391843 (US10300074, Compd 38 | US11111270, Compound 38) 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	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM391807 (US10300074, Compd 3 | US10300074, Compd 4 | US1030...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C19H26N4O5/c1-11(20-2)17(24)22-14-10-28-16-9-8-15(23(16)19(14)26)18(25)21-12-4-6-13(27-3)7-5-12/h4-7,11,14-16,20H,8-10H2,1-3H3,(H,21,25)(H,22,24)/t11-,14-,15?,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM391809 (US10300074, Compd 5 | US10300074, Compd 6 | US1111...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C19H26N4O4/c1-12(20-2)17(24)22-14-11-27-16-9-8-15(23(16)19(14)26)18(25)21-10-13-6-4-3-5-7-13/h3-7,12,14-16,20H,8-11H2,1-2H3,(H,21,25)(H,22,24)/t12-,14-,15?,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM391809 (US10300074, Compd 5 | US10300074, Compd 6 | US1111...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C19H26N4O4/c1-12(20-2)17(24)22-14-11-27-16-9-8-15(23(16)19(14)26)18(25)21-10-13-6-4-3-5-7-13/h3-7,12,14-16,20H,8-11H2,1-2H3,(H,21,25)(H,22,24)/t12-,14-,15?,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518256 (US11111270, Compound 4) Show SMILES CNC(C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)Nc1ccc(OC)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM391807 (US10300074, Compd 3 | US10300074, Compd 4 | US1030...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C19H26N4O5/c1-11(20-2)17(24)22-14-10-28-16-9-8-15(23(16)19(14)26)18(25)21-12-4-6-13(27-3)7-5-12/h4-7,11,14-16,20H,8-10H2,1-3H3,(H,21,25)(H,22,24)/t11-,14-,15?,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (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	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518285 (US11111270, Compound 23) Show SMILES CN[C@@H](C)C(=O)NC1CCO[C@H]2CC[C@H](N2C1=O)C(=O)n1ccc2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM391820 (US10300074, Compd 15 | US11111270, Compound 15) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@@H](C)O[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r,w:14.19| Show InChI InChI=1S/C26H32N4O4/c1-16(27-3)24(31)28-22-17(2)34-21-15-14-20(30(21)26(22)33)25(32)29-23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,20-23,27H,14-15H2,1-3H3,(H,28,31)(H,29,32)/t16-,17+,20?,21-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518284 (US11111270, Compound 22) Show SMILES CN[C@@H](C)C(=O)NC1CCO[C@H]2CC[C@@H](N2C1=O)C(=O)n1ccc2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM391812 (US10300074, Compd 8 | US11111270, Compound 8) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)Nc1ccc(Cl)cc1 |r,w:13.18| Show InChI InChI=1S/C18H23ClN4O4/c1-10(20-2)16(24)22-13-9-27-15-8-7-14(23(15)18(13)26)17(25)21-12-5-3-11(19)4-6-12/h3-6,10,13-15,20H,7-9H2,1-2H3,(H,21,25)(H,22,24)/t10-,13-,14?,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518307 (US11111270, Compound 28 | US11111270, Compound 29) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCN[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:14.19| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM391815 (US10300074, Compd 11 | US11111270, Compound 11) 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/C23H28N4O4/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/h4-10,13-14,18-20,24H,11-12H2,1-3H3,(H,25,29)(H,26,28)/t13-,14+,18?,19-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518278 (US11111270, Compound 18 | US11111270, Compound 19) Show SMILES C[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCCN([C@H]2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12)C(C)=O |r,w:22.23| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM391844 (US10300074, Compd 39 | US11111270, Compound 39) 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	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518307 (US11111270, Compound 28 | US11111270, Compound 29) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCN[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:14.19| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair