Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189501'   

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))	BDBM189501 (US10213433, Compound 53 | US11369599, Compound 53 ...) Show SMILES CC(=O)N1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:51| Show InChI InChI=1S/C46H51ClN8O7S/c1-30(56)53-18-14-35(15-19-53)50-41-11-9-38(26-42(41)55(58)59)63(60,61)51-45(57)39-10-8-36(25-43(39)62-37-24-32-13-17-48-44(32)49-28-37)54-22-20-52(21-23-54)29-33-12-16-46(2,3)27-40(33)31-4-6-34(47)7-5-31/h4-11,13,17,24-26,28,35,50H,12,14-16,18-23,27,29H2,1-3H3,(H,48,49)(H,51,57)	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))	BDBM189501 (US10213433, Compound 53 | US11369599, Compound 53 ...) Show SMILES CC(=O)N1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:51| Show InChI InChI=1S/C46H51ClN8O7S/c1-30(56)53-18-14-35(15-19-53)50-41-11-9-38(26-42(41)55(58)59)63(60,61)51-45(57)39-10-8-36(25-43(39)62-37-24-32-13-17-48-44(32)49-28-37)54-22-20-52(21-23-54)29-33-12-16-46(2,3)27-40(33)31-4-6-34(47)7-5-31/h4-11,13,17,24-26,28,35,50H,12,14-16,18-23,27,29H2,1-3H3,(H,48,49)(H,51,57)	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))	BDBM189501 (US10213433, Compound 53 | US11369599, Compound 53 ...) Show SMILES CC(=O)N1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:51| Show InChI InChI=1S/C46H51ClN8O7S/c1-30(56)53-18-14-35(15-19-53)50-41-11-9-38(26-42(41)55(58)59)63(60,61)51-45(57)39-10-8-36(25-43(39)62-37-24-32-13-17-48-44(32)49-28-37)54-22-20-52(21-23-54)29-33-12-16-46(2,3)27-40(33)31-4-6-34(47)7-5-31/h4-11,13,17,24-26,28,35,50H,12,14-16,18-23,27,29H2,1-3H3,(H,48,49)(H,51,57)	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