Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189757'   

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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM189757 (US10213433, Compound 327 | US11369599, Compound 32...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CN(CCO4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:61| Show InChI InChI=1S/C47H53ClN8O7S/c1-47(2)15-13-33(41(26-47)31-3-5-34(48)6-4-31)29-53-17-19-54(20-18-53)36-9-11-40(44(24-36)63-37-23-32-14-16-49-45(32)51-27-37)46(57)52-64(60,61)39-10-12-42(43(25-39)56(58)59)50-28-38-30-55(21-22-62-38)35-7-8-35/h3-6,9-12,14,16,23-25,27,35,38,50H,7-8,13,15,17-22,26,28-30H2,1-2H3,(H,49,51)(H,52,57)/t38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<0.0100	<-62.8	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC.; GENENTECH, INC.; THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...				US Patent US9174982 (2015) BindingDB Entry DOI: 10.7270/Q2RB73D5
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM189757 (US10213433, Compound 327 | US11369599, Compound 32...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CN(CCO4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:61| Show InChI InChI=1S/C47H53ClN8O7S/c1-47(2)15-13-33(41(26-47)31-3-5-34(48)6-4-31)29-53-17-19-54(20-18-53)36-9-11-40(44(24-36)63-37-23-32-14-16-49-45(32)51-27-37)46(57)52-64(60,61)39-10-12-42(43(25-39)56(58)59)50-28-38-30-55(21-22-62-38)35-7-8-35/h3-6,9-12,14,16,23-25,27,35,38,50H,7-8,13,15,17-22,26,28-30H2,1-2H3,(H,49,51)(H,52,57)/t38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM189757 (US10213433, Compound 327 | US11369599, Compound 32...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CN(CCO4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:61| Show InChI InChI=1S/C47H53ClN8O7S/c1-47(2)15-13-33(41(26-47)31-3-5-34(48)6-4-31)29-53-17-19-54(20-18-53)36-9-11-40(44(24-36)63-37-23-32-14-16-49-45(32)51-27-37)46(57)52-64(60,61)39-10-12-42(43(25-39)56(58)59)50-28-38-30-55(21-22-62-38)35-7-8-35/h3-6,9-12,14,16,23-25,27,35,38,50H,7-8,13,15,17-22,26,28-30H2,1-2H3,(H,49,51)(H,52,57)/t38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition constant (Ki) for binding of representative compounds to Bcl-2 protein, as determined by a TR-FRET (Time-Resolved Fluorescence-Resonan...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J59
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM189757 (US10213433, Compound 327 | US11369599, Compound 32...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CN(CCO4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:61| Show InChI InChI=1S/C47H53ClN8O7S/c1-47(2)15-13-33(41(26-47)31-3-5-34(48)6-4-31)29-53-17-19-54(20-18-53)36-9-11-40(44(24-36)63-37-23-32-14-16-49-45(32)51-27-37)46(57)52-64(60,61)39-10-12-42(43(25-39)56(58)59)50-28-38-30-55(21-22-62-38)35-7-8-35/h3-6,9-12,14,16,23-25,27,35,38,50H,7-8,13,15,17-22,26,28-30H2,1-2H3,(H,49,51)(H,52,57)/t38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.				US Patent US10213433 (2019) BindingDB Entry DOI: 10.7270/Q23F4RZ6
					More data for this Ligand-Target Pair