Compile Data Set for Download or QSAR

Found 55 hits of ic50 data for polymerid = 50000332   

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
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM555343 ((R)-4-(4-((2-(3-(difluoromethyl)bicyclo[1.1.1]pent...) Show SMILES CCN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CC(C)(C)CC2)C23CC(C2)(C3)C(F)F)CC1 |r,t:51| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50270877 ((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...) Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM552934 ((R)-4-(4-((2-(3-chlorobicyclo[1.1.1]pentan-1-yl)-5...) Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)C12CC(Cl)(C1)C2 |r,t:5| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM552931 ((R)-4-(4-((5,5-dimethyl-2-(3-methylbicyclo[1.1.1]p...) Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)CC(C)(C)CC1 |r,c:8| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM552935 ((R)-4-(4-((4,4-dimethyl-2-(3-methylbicyclo[1.1.1]p...) Show SMILES CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CC(C)(C)CC2)C23CC(C)(C2)C3)CC1 |r,t:50| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM552936 ((R)-4-(4-((2-(3-Ethylbicyclo[1.1.1]pentan-1-yl)-4,...) Show SMILES CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN(C)CCO)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)CCC(C)(C)C1 |r,c:9| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM555333 ((R)-4-(4-((2-(3-(difluoromethyl)bicyclo[1.1.1]pent...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)=C(C1)C12CC(C1)(C2)C(F)F |r,c:60| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM555342 ((R)-4-(4-((2-(3-(difluoromethyl)bicyclo[1.1.1]pent...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCN(CCO)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)=C(C1)C12CC(C1)(C2)C(F)F |r,c:63| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM552945 ((R)-4-(4-((6-(3-(difluoromethyl)bicyclo[1.1.1]pent...) Show SMILES OC1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(CC3=C(CC4(CCC4)CC3)C34CC(C3)(C4)C(F)F)CC2)CC1 |t:50| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM555340 ((R)-4-(4-((2-(3-(difluoromethyl)bicyclo[1.1.1]pent...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCNCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)=C(C1)C12CC(C1)(C2)C(F)F |r,c:60| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM555339 ((R)-4-(4-((2-(3-(Difluoromethyl)bicyclo[1.1.1]pent...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CC(C)(C)CC2)C23CC(C2)(C3)C(F)F)CC1 |r,t:48| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM555338 ((R)-4-(4-((2-(3-(Difluoromethyl)bicyclo[1.1.1]pent...) Show SMILES CN(C)C1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C3)(C4)C(F)F)CC2)CC1 |r,t:52| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM555337 ((R)-4-(4-((2-(3-(Difluoromethyl)bicyclo[1.1.1]pent...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)=C(C1)C12CC(C1)(C2)C(F)F |r,c:61| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM555336 ((R)-4-(4-((2-(3-(difluoromethyl)bicyclo[1.1.1]pent...) Show SMILES CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CC(C)(C)CC2)C23CC(C2)(C3)C(F)F)CC1 |r,t:50| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM552939 ((R)-4-(4-((4,4-dimethyl-2-(3-methylbicyclo[1.1.1]p...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CC(C)(C)CC2)C23CC(C)(C2)C3)CC1 |r,t:48| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM555334 ((R)-4-(4-((2-(3-(difluoromethyl)bicyclo[1.1.1]pent...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)[N+]([O-])=O)=C(C1)C12CC(C1)(C2)C(F)F |r,c:56| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50373072 (CHEMBL402005) Show SMILES [O-][N+](=O)c1cc(ccc1NCCS1=CC=CC=C1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1 |c:15,17,t:13,(4.19,-10.53,;2.85,-9.76,;2.84,-8.22,;1.51,-10.54,;.19,-9.79,;-1.13,-10.55,;-1.14,-12.08,;.19,-12.85,;1.51,-12.08,;2.85,-12.85,;4.18,-12.08,;5.52,-12.85,;6.85,-12.08,;8.19,-12.85,;9.52,-12.08,;9.52,-10.54,;8.17,-9.77,;6.85,-10.55,;-2.46,-9.78,;-1.69,-8.45,;-3.21,-11.13,;-3.79,-9.02,;-5.13,-9.8,;-6.46,-9.04,;-5.12,-11.34,;-3.78,-12.11,;-3.77,-13.65,;-5.1,-14.42,;-6.44,-13.66,;-6.45,-12.13,;-5.09,-15.96,;-6.42,-16.73,;-6.42,-18.28,;-5.09,-19.05,;-5.09,-20.59,;-3.74,-18.28,;-3.75,-16.72,)| Show InChI InChI=1S/C26H22FN3O5S2/c27-22-10-8-20(9-11-22)19-4-6-21(7-5-19)26(31)29-37(34,35)23-12-13-24(25(18-23)30(32)33)28-14-17-36-15-2-1-3-16-36/h1-13,15-16,18,28H,14,17H2,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco Curated by ChEMBL					Assay Description Binding affinity to Bcl-XL				Nature 450: 1001-1009 (2007) Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM555320 (2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |r,wU:29.29,32.33,wD:32.34,c:59,(4.54,-10.76,;3,-10.76,;3.77,-12.09,;3,-9.22,;1.67,-8.45,;.34,-9.22,;-1,-8.45,;-1,-6.91,;-2.33,-6.14,;-2.33,-4.6,;-1,-3.83,;.34,-4.6,;.34,-6.14,;-.98,-2.29,;.39,-1.43,;.39,.11,;-.95,.88,;-.95,2.42,;-2.28,3.19,;.39,3.19,;1.72,2.42,;3.05,1.65,;.95,1.09,;2.49,3.76,;4.03,3.76,;4.8,5.09,;4.03,6.42,;4.8,7.76,;6.34,7.76,;7.11,9.09,;6.34,10.42,;7.11,11.76,;8.65,11.76,;9.98,12.53,;8.65,13.3,;9.42,10.42,;8.65,9.09,;2.47,6.53,;1.72,5.09,;1.72,7.88,;2.5,9.2,;.18,7.9,;-2.28,.11,;-3.61,.88,;-4.95,.11,;-4.95,-1.43,;-6.28,-2.2,;-7.62,-1.43,;-9.08,-1.9,;-9.98,-.66,;-9.08,.59,;-7.62,.11,;-6.28,.88,;-2.28,-1.43,;.34,-10.76,;1.67,-11.53,;-1,-11.53,;-2.48,-11.13,;-2.88,-12.62,;-1.39,-13.02,;-2.21,-11.63,;-4.22,-13.39,;-5.55,-12.62,;-4.22,-14.93,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM60828 (ABT-199 | BDBM189459 | US10213433, Compound 5 | US...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM552911 (2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((4,4-di...) Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:8| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM552914 (2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((4,4-di...) Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |r,wU:31.33,34.37,wD:34.38,c:8,(-4.3,-13.49,;-2.96,-12.73,;-2.56,-11.24,;-1.08,-11.64,;-1.32,-13.28,;-1.72,-12.77,;.26,-10.87,;.26,-9.33,;-1.08,-8.56,;-1.08,-7.02,;-2.41,-6.25,;-2.41,-4.71,;-1.08,-3.94,;.26,-4.71,;.26,-6.25,;-1.08,-2.4,;.26,-1.63,;.26,-.09,;-1.08,.68,;-1.08,2.22,;-2.41,2.99,;.26,2.99,;1.59,2.22,;.82,.89,;2.92,1.45,;2.36,3.56,;3.9,3.56,;4.67,4.89,;3.9,6.22,;4.67,7.56,;6.21,7.56,;7.04,8.99,;6.21,10.42,;7.04,11.84,;8.69,11.84,;10.11,12.67,;8.69,13.49,;9.51,10.42,;8.69,8.99,;2.33,6.27,;1.59,4.89,;1.56,7.61,;2.33,8.94,;.02,7.61,;-2.41,-.09,;-3.74,.68,;-5.08,-.09,;-5.08,-1.63,;-6.41,-2.4,;-7.74,-1.63,;-9.21,-2.1,;-10.11,-.86,;-9.21,.39,;-7.74,-.09,;-6.41,.68,;-2.41,-1.63,;1.59,-8.56,;2.92,-9.33,;2.92,-10.87,;4.41,-10.47,;3.32,-12.35,;1.59,-11.64,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51BH
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254587 (1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN |r| Show InChI InChI=1S/C30H38ClN5O2/c1-4-6-16-34(17-7-5-2)30(38)28-27(31)21(3)36(33-28)26-15-11-10-14-25(26)29(37)35-20-23-13-9-8-12-22(23)18-24(35)19-32/h8-15,24H,4-7,16-20,32H2,1-3H3/t24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254595 (CHEMBL502066 | N,N-dibutyl-5-methyl-1-(4-(2-(pheny...) Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NC(=O)CSc2ccccc2)cc1C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C37H43N5O3S/c1-4-6-20-40(21-7-5-2)37(45)33-23-27(3)42(39-33)34-18-17-30(38-35(43)26-46-31-15-9-8-10-16-31)24-32(34)36(44)41-22-19-28-13-11-12-14-29(28)25-41/h8-18,23-24H,4-7,19-22,25-26H2,1-3H3,(H,38,43)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254536 (1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)COc2ccccc2)cc1C(=O)N1Cc2ccccc2C[C@H]1CN |r| Show InChI InChI=1S/C38H45ClN6O4/c1-4-6-19-43(20-7-5-2)38(48)36-35(39)26(3)45(42-36)33-18-17-29(41-34(46)25-49-31-15-9-8-10-16-31)22-32(33)37(47)44-24-28-14-12-11-13-27(28)21-30(44)23-40/h8-18,22,30H,4-7,19-21,23-25,40H2,1-3H3,(H,41,46)/t30-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	808	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50424726 (CHEMBL2314176 | US10093640, Example 6 | US10844032...) Show SMILES Cc1cc(OCCCc2c(sc3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C20H18Cl2O3S/c1-11-8-14(9-12(2)18(11)22)25-7-3-4-16-15-6-5-13(21)10-17(15)26-19(16)20(23)24/h5-6,8-10H,3-4,7H2,1-2H3,(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	990	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50424725 (CHEMBL2314177 | US10093640, Example 5 | US10844032...) Show SMILES OC(=O)c1sc2cc(Cl)ccc2c1CCCOc1cccc2ccccc12 Show InChI InChI=1S/C22H17ClO3S/c23-15-10-11-17-18(21(22(24)25)27-20(17)13-15)8-4-12-26-19-9-3-6-14-5-1-2-7-16(14)19/h1-3,5-7,9-11,13H,4,8,12H2,(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254585 (1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...) Show SMILES Cc1c(Cl)c(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)N(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C34H30ClN5O2/c1-23-31(35)32(34(42)39(26-14-4-2-5-15-26)27-16-6-3-7-17-27)37-40(23)30-19-11-10-18-29(30)33(41)38-22-25-13-9-8-12-24(25)20-28(38)21-36/h2-19,28H,20-22,36H2,1H3/t28-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50324474 (CHEMBL1215012 | sodium(2S,2'S,5R,5'R,6R,6'R)-6,6'-...) Show SMILES CC(C)=c1c(O)c(O)c(C=N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)c2c(O)c(-c3c(O)c4c(C=N[C@H]5[C@H]6SC(C)(C)[C@@H](N6C5=O)C([O-])=O)c(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12 |r,w:33.34,9.8,wU:12.18,36.44,11.10,35.36,wD:41.48,17.22,(27.06,.19,;28.39,-.58,;29.73,.19,;28.4,-2.12,;29.73,-2.89,;31.06,-2.12,;29.73,-4.43,;31.06,-5.2,;28.4,-5.2,;28.4,-6.74,;29.73,-7.51,;29.73,-9.05,;30.82,-10.13,;32.18,-10.83,;31.94,-12.35,;32.32,-13.82,;33.48,-12.34,;30.43,-12.59,;29.73,-11.22,;28.64,-10.13,;27.1,-10.13,;29.64,-13.91,;28.1,-13.89,;30.4,-15.25,;27.07,-4.43,;25.74,-5.2,;25.74,-6.74,;24.41,-4.43,;23.08,-5.21,;21.74,-4.45,;21.73,-2.91,;20.41,-5.23,;19.07,-4.46,;19.06,-2.92,;17.73,-2.15,;17.72,-.61,;16.62,.46,;15.24,1.14,;15.47,2.67,;14.13,3.45,;15.45,4.22,;16.99,2.92,;17.7,1.56,;18.8,.47,;20.34,.47,;17.78,4.24,;17.03,5.58,;19.32,4.22,;17.75,-5.23,;16.41,-4.46,;17.74,-6.77,;16.41,-7.54,;19.07,-7.54,;19.08,-9.08,;17.74,-9.86,;20.41,-9.85,;20.42,-6.77,;21.75,-7.54,;21.75,-9.08,;23.08,-6.76,;24.42,-7.53,;24.39,-2.9,;23.05,-2.14,;25.73,-2.13,;25.72,-.59,;27.07,-2.89,)| Show InChI InChI=1S/C46H46N4O14S2/c1-13(2)19-25-23(17(31(53)35(19)57)11-47-27-39(59)49-37(43(61)62)45(7,8)65-41(27)49)33(55)21(15(5)29(25)51)22-16(6)30(52)26-20(14(3)4)36(58)32(54)18(24(26)34(22)56)12-48-28-40(60)50-38(44(63)64)46(9,10)66-42(28)50/h11-12,27-28,37-38,41-42,51-58H,5-6H2,1-4,7-10H3,(H,61,62)(H,63,64)/p-2/t27-,28-,37+,38+,41-,42-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Health Sciences Curated by ChEMBL					Assay Description Displacement of FITC-labeled Bak-BH3 peptide from Bcl-XL after 1 hr by fluorescence polarization assay				J Med Chem 53: 5502-10 (2010) Article DOI: 10.1021/jm1001698 BindingDB Entry DOI: 10.7270/Q2930TBV
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50424727 (CHEMBL2314173 | US10093640, Example 2 | US10844032...) Show SMILES Cc1cc(OCCCc2c(sc3ccccc23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C20H19ClO3S/c1-12-10-14(11-13(2)18(12)21)24-9-5-7-16-15-6-3-4-8-17(15)25-19(16)20(22)23/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254584 (4-chloro-1-(2-((S)-3-(hydroxymethyl)-1,2,3,4-tetra...) Show SMILES Cc1c(Cl)c(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)N(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C34H29ClN4O3/c1-23-31(35)32(34(42)38(26-14-4-2-5-15-26)27-16-6-3-7-17-27)36-39(23)30-19-11-10-18-29(30)33(41)37-21-25-13-9-8-12-24(25)20-28(37)22-40/h2-19,28,40H,20-22H2,1H3/t28-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254590 (CHEMBL449546 | N,N-dibutyl-4-chloro-5-methyl-1-(4-...) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)Cc2ccccc2)cc1C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C37H42ClN5O3/c1-4-6-20-41(21-7-5-2)37(46)35-34(38)26(3)43(40-35)32-18-17-30(39-33(44)23-27-13-9-8-10-14-27)24-31(32)36(45)42-22-19-28-15-11-12-16-29(28)25-42/h8-18,24H,4-7,19-23,25H2,1-3H3,(H,39,44)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254591 (CHEMBL504480 | N,N-dibutyl-4-chloro-5-methyl-1-(4-...) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)COc2ccccc2)cc1C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C37H42ClN5O4/c1-4-6-20-41(21-7-5-2)37(46)35-34(38)26(3)43(40-35)32-18-17-29(39-33(44)25-47-30-15-9-8-10-16-30)23-31(32)36(45)42-22-19-27-13-11-12-14-28(27)24-42/h8-18,23H,4-7,19-22,24-25H2,1-3H3,(H,39,44)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254583 (4-bromo-1-(2-((S)-3-(hydroxymethyl)-1,2,3,4-tetrah...) Show SMILES Cc1c(Br)c(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)N(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C34H29BrN4O3/c1-23-31(35)32(34(42)38(26-14-4-2-5-15-26)27-16-6-3-7-17-27)36-39(23)30-19-11-10-18-29(30)33(41)37-21-25-13-9-8-12-24(25)20-28(37)22-40/h2-19,28,40H,20-22H2,1H3/t28-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254596 (CHEMBL451856 | N,N-dibutyl-5-methyl-1-(4-(2-phenox...) Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NC(=O)COc2ccccc2)cc1C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C37H43N5O4/c1-4-6-20-40(21-7-5-2)37(45)33-23-27(3)42(39-33)34-18-17-30(38-35(43)26-46-31-15-9-8-10-16-31)24-32(34)36(44)41-22-19-28-13-11-12-14-29(28)25-41/h8-18,23-24H,4-7,19-22,25-26H2,1-3H3,(H,38,43)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254593 (1-[2-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)-4-(2...) Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(OCC(=O)c2ccccc2)cc1C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C37H42N4O4/c1-4-6-20-39(21-7-5-2)37(44)33-23-27(3)41(38-33)34-18-17-31(45-26-35(42)29-14-9-8-10-15-29)24-32(34)36(43)40-22-19-28-13-11-12-16-30(28)25-40/h8-18,23-24H,4-7,19-22,25-26H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254521 (CHEMBL516633 | N-cyclohexyl-5-methyl-N-phenyl-1-(2...) Show SMILES Cc1cc(nn1-c1ccccc1C(=O)N1CCc2ccccc2C1)C(=O)N(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C33H34N4O2/c1-24-22-30(33(39)36(27-14-4-2-5-15-27)28-16-6-3-7-17-28)34-37(24)31-19-11-10-18-29(31)32(38)35-21-20-25-12-8-9-13-26(25)23-35/h2,4-5,8-15,18-19,22,28H,3,6-7,16-17,20-21,23H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50424737 (CHEMBL2314519 | US10093640, Example 21 | US1084403...) Show SMILES OC(=O)c1oc2ccccc2c1CCCOc1cccc2ccccc12 Show InChI InChI=1S/C22H18O4/c23-22(24)21-18(17-10-3-4-12-20(17)26-21)11-6-14-25-19-13-5-8-15-7-1-2-9-16(15)19/h1-5,7-10,12-13H,6,11,14H2,(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254587 (1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN |r| Show InChI InChI=1S/C30H38ClN5O2/c1-4-6-16-34(17-7-5-2)30(38)28-27(31)21(3)36(33-28)26-15-11-10-14-25(26)29(37)35-20-23-13-9-8-12-22(23)18-24(35)19-32/h8-15,24H,4-7,16-20,32H2,1-3H3/t24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254529 (CHEMBL453466 | methyl 2-((S)-2-(2-(3-(diphenylcarb...) Show SMILES COC(=O)C[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C36H32N4O4/c1-25-21-32(36(43)39(28-15-5-3-6-16-28)29-17-7-4-8-18-29)37-40(25)33-20-12-11-19-31(33)35(42)38-24-27-14-10-9-13-26(27)22-30(38)23-34(41)44-2/h3-21,30H,22-24H2,1-2H3/t30-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254582 (5-methyl-1-(2-((R)-3-methyl-1,2,3,4-tetrahydroisoq...) Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C34H30N4O2/c1-24-21-26-13-9-10-14-27(26)23-36(24)33(39)30-19-11-12-20-32(30)38-25(2)22-31(35-38)34(40)37(28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-20,22,24H,21,23H2,1-2H3/t24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254525 (1-(2-((S)-3-(methoxymethyl)-1,2,3,4-tetrahydroisoq...) Show SMILES COC[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C35H32N4O3/c1-25-21-32(35(41)38(28-15-5-3-6-16-28)29-17-7-4-8-18-29)36-39(25)33-20-12-11-19-31(33)34(40)37-23-27-14-10-9-13-26(27)22-30(37)24-42-2/h3-21,30H,22-24H2,1-2H3/t30-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254594 (2-(4-(3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-y...) Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(OCC(O)=O)cc1C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C31H38N4O5/c1-4-6-15-33(16-7-5-2)31(39)27-18-22(3)35(32-27)28-13-12-25(40-21-29(36)37)19-26(28)30(38)34-17-14-23-10-8-9-11-24(23)20-34/h8-13,18-19H,4-7,14-17,20-21H2,1-3H3,(H,36,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50424738 (CHEMBL2314516 | US10093640, Example 1 | US10844032...) Show SMILES OC(=O)c1sc2ccccc2c1CCCOc1cccc2ccccc12 Show InChI InChI=1S/C22H18O3S/c23-22(24)21-18(17-10-3-4-13-20(17)26-21)11-6-14-25-19-12-5-8-15-7-1-2-9-16(15)19/h1-5,7-10,12-13H,6,11,14H2,(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254535 (1-(4-amino-2-((S)-3-(aminomethyl)-1,2,3,4-tetrahyd...) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(N)cc1C(=O)N1Cc2ccccc2C[C@H]1CN |r| Show InChI InChI=1S/C30H39ClN6O2/c1-4-6-14-35(15-7-5-2)30(39)28-27(31)20(3)37(34-28)26-13-12-23(33)17-25(26)29(38)36-19-22-11-9-8-10-21(22)16-24(36)18-32/h8-13,17,24H,4-7,14-16,18-19,32-33H2,1-3H3/t24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254530 (1-(2-((S)-3-((dimethylamino)methyl)-1,2,3,4-tetrah...) Show SMILES CN(C)C[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C36H35N5O2/c1-26-22-33(36(43)40(29-16-6-4-7-17-29)30-18-8-5-9-19-30)37-41(26)34-21-13-12-20-32(34)35(42)39-24-28-15-11-10-14-27(28)23-31(39)25-38(2)3/h4-22,31H,23-25H2,1-3H3/t31-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50270876 (3-((E)-2-Biphenyl-3-yl-vinyl)-4'-fluoro-biphenyl-4...) Show SMILES OC(=O)c1ccc(cc1\C=C\c1cccc(c1)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H19FO2/c28-25-14-11-21(12-15-25)23-13-16-26(27(29)30)24(18-23)10-9-19-5-4-8-22(17-19)20-6-2-1-3-7-20/h1-18H,(H,29,30)/b10-9+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astex Therapeutics Ltd. Curated by ChEMBL					Assay Description Binding affinity to BH3 binding groove of BclXL				J Med Chem 51: 3661-80 (2008) Article DOI: 10.1021/jm8000373 BindingDB Entry DOI: 10.7270/Q2N58M4H
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254534 (CHEMBL467229 | N,N-dibutyl-4-chloro-1-(2-((S)-3-(h...) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO |r| Show InChI InChI=1S/C30H37ClN4O3/c1-4-6-16-33(17-7-5-2)30(38)28-27(31)21(3)35(32-28)26-15-11-10-14-25(26)29(37)34-19-23-13-9-8-12-22(23)18-24(34)20-36/h8-15,24,36H,4-7,16-20H2,1-3H3/t24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254588 (1-(4-amino-2-(1,2,3,4-tetrahydroisoquinoline-2-car...) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(N)cc1C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C29H36ClN5O2/c1-4-6-15-33(16-7-5-2)29(37)27-26(30)20(3)35(32-27)25-13-12-23(31)18-24(25)28(36)34-17-14-21-10-8-9-11-22(21)19-34/h8-13,18H,4-7,14-17,19,31H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254526 (1-(2-((S)-3-(acetamidomethyl)-1,2,3,4-tetrahydrois...) Show SMILES CC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C36H33N5O3/c1-25-21-33(36(44)40(29-15-5-3-6-16-29)30-17-7-4-8-18-30)38-41(25)34-20-12-11-19-32(34)35(43)39-24-28-14-10-9-13-27(28)22-31(39)23-37-26(2)42/h3-21,31H,22-24H2,1-2H3,(H,37,42)/t31-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50254524 (1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...) Show SMILES Cc1cc(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)N(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C34H31N5O2/c1-24-20-31(34(41)38(27-14-4-2-5-15-27)28-16-6-3-7-17-28)36-39(24)32-19-11-10-18-30(32)33(40)37-23-26-13-9-8-12-25(26)21-29(37)22-35/h2-20,29H,21-23,35H2,1H3/t29-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair

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