Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189513'   

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))	BDBM189513 (US10213433, Compound 65 | US11369599, Compound 65 ...) Show SMILES CN1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:47| Show InChI InChI=1S/C46H53ClN8O6S/c1-46(2)16-12-34(40(27-46)32-4-6-35(47)7-5-32)30-53-20-22-54(23-21-53)36-8-10-39(43(25-36)61-37-24-33-13-17-48-44(33)50-29-37)45(56)51-62(59,60)38-9-11-41(42(26-38)55(57)58)49-28-31-14-18-52(3)19-15-31/h4-11,13,17,24-26,29,31,49H,12,14-16,18-23,27-28,30H2,1-3H3,(H,48,50)(H,51,56)	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))	BDBM189513 (US10213433, Compound 65 | US11369599, Compound 65 ...) Show SMILES CN1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:47| Show InChI InChI=1S/C46H53ClN8O6S/c1-46(2)16-12-34(40(27-46)32-4-6-35(47)7-5-32)30-53-20-22-54(23-21-53)36-8-10-39(43(25-36)61-37-24-33-13-17-48-44(33)50-29-37)45(56)51-62(59,60)38-9-11-41(42(26-38)55(57)58)49-28-31-14-18-52(3)19-15-31/h4-11,13,17,24-26,29,31,49H,12,14-16,18-23,27-28,30H2,1-3H3,(H,48,50)(H,51,56)	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))	BDBM189513 (US10213433, Compound 65 | US11369599, Compound 65 ...) Show SMILES CN1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:47| Show InChI InChI=1S/C46H53ClN8O6S/c1-46(2)16-12-34(40(27-46)32-4-6-35(47)7-5-32)30-53-20-22-54(23-21-53)36-8-10-39(43(25-36)61-37-24-33-13-17-48-44(33)50-29-37)45(56)51-62(59,60)38-9-11-41(42(26-38)55(57)58)49-28-31-14-18-52(3)19-15-31/h4-11,13,17,24-26,29,31,49H,12,14-16,18-23,27-28,30H2,1-3H3,(H,48,50)(H,51,56)	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