Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189510'   

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))	BDBM189510 (US10213433, Compound 62 | US11369599, Compound 62 ...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCC#N)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:53| Show InChI InChI=1S/C42H43ClN8O6S/c1-42(2)14-12-30(36(25-42)28-4-6-31(43)7-5-28)27-49-18-20-50(21-19-49)32-8-10-35(39(23-32)57-33-22-29-13-17-46-40(29)47-26-33)41(52)48-58(55,56)34-9-11-37(45-16-3-15-44)38(24-34)51(53)54/h4-11,13,17,22-24,26,45H,3,12,14,16,18-21,25,27H2,1-2H3,(H,46,47)(H,48,52)	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))	BDBM189510 (US10213433, Compound 62 | US11369599, Compound 62 ...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCC#N)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:53| Show InChI InChI=1S/C42H43ClN8O6S/c1-42(2)14-12-30(36(25-42)28-4-6-31(43)7-5-28)27-49-18-20-50(21-19-49)32-8-10-35(39(23-32)57-33-22-29-13-17-46-40(29)47-26-33)41(52)48-58(55,56)34-9-11-37(45-16-3-15-44)38(24-34)51(53)54/h4-11,13,17,22-24,26,45H,3,12,14,16,18-21,25,27H2,1-2H3,(H,46,47)(H,48,52)	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))	BDBM189510 (US10213433, Compound 62 | US11369599, Compound 62 ...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCC#N)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:53| Show InChI InChI=1S/C42H43ClN8O6S/c1-42(2)14-12-30(36(25-42)28-4-6-31(43)7-5-28)27-49-18-20-50(21-19-49)32-8-10-35(39(23-32)57-33-22-29-13-17-46-40(29)47-26-33)41(52)48-58(55,56)34-9-11-37(45-16-3-15-44)38(24-34)51(53)54/h4-11,13,17,22-24,26,45H,3,12,14,16,18-21,25,27H2,1-2H3,(H,46,47)(H,48,52)	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