Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189688'   

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))	BDBM189688 (US10213433, Compound 258 | US11369599, Compound 25...) Show SMILES CN(C)CC(=O)N1CCO[C@H](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)C1 |t:53| Show InChI InChI=1S/C48H56ClN9O8S/c1-48(2)15-13-34(41(26-48)32-5-7-35(49)8-6-32)29-55-17-19-56(20-18-55)36-9-11-40(44(24-36)66-37-23-33-14-16-50-46(33)52-27-37)47(60)53-67(63,64)39-10-12-42(43(25-39)58(61)62)51-28-38-30-57(21-22-65-38)45(59)31-54(3)4/h5-12,14,16,23-25,27,38,51H,13,15,17-22,26,28-31H2,1-4H3,(H,50,52)(H,53,60)/t38-/m1/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))	BDBM189688 (US10213433, Compound 258 | US11369599, Compound 25...) Show SMILES CN(C)CC(=O)N1CCO[C@H](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)C1 |t:53| Show InChI InChI=1S/C48H56ClN9O8S/c1-48(2)15-13-34(41(26-48)32-5-7-35(49)8-6-32)29-55-17-19-56(20-18-55)36-9-11-40(44(24-36)66-37-23-33-14-16-50-46(33)52-27-37)47(60)53-67(63,64)39-10-12-42(43(25-39)58(61)62)51-28-38-30-57(21-22-65-38)45(59)31-54(3)4/h5-12,14,16,23-25,27,38,51H,13,15,17-22,26,28-31H2,1-4H3,(H,50,52)(H,53,60)/t38-/m1/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))	BDBM189688 (US10213433, Compound 258 | US11369599, Compound 25...) Show SMILES CN(C)CC(=O)N1CCO[C@H](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)C1 |t:53| Show InChI InChI=1S/C48H56ClN9O8S/c1-48(2)15-13-34(41(26-48)32-5-7-35(49)8-6-32)29-55-17-19-56(20-18-55)36-9-11-40(44(24-36)66-37-23-33-14-16-50-46(33)52-27-37)47(60)53-67(63,64)39-10-12-42(43(25-39)58(61)62)51-28-38-30-57(21-22-65-38)45(59)31-54(3)4/h5-12,14,16,23-25,27,38,51H,13,15,17-22,26,28-31H2,1-4H3,(H,50,52)(H,53,60)/t38-/m1/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