Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189685'   

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))	BDBM189685 (US10213433, Compound 255 | US11369599, Compound 25...) Show SMILES CN(C)CC(=O)N1CC[C@H](C1)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:53| Show InChI InChI=1S/C47H54ClN9O7S/c1-47(2)16-13-33(40(26-47)31-5-7-34(48)8-6-31)28-54-19-21-55(22-20-54)36-9-11-39(43(24-36)64-37-23-32-14-17-49-45(32)50-27-37)46(59)52-65(62,63)38-10-12-41(42(25-38)57(60)61)51-35-15-18-56(29-35)44(58)30-53(3)4/h5-12,14,17,23-25,27,35,51H,13,15-16,18-22,26,28-30H2,1-4H3,(H,49,50)(H,52,59)/t35-/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))	BDBM189685 (US10213433, Compound 255 | US11369599, Compound 25...) Show SMILES CN(C)CC(=O)N1CC[C@H](C1)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:53| Show InChI InChI=1S/C47H54ClN9O7S/c1-47(2)16-13-33(40(26-47)31-5-7-34(48)8-6-31)28-54-19-21-55(22-20-54)36-9-11-39(43(24-36)64-37-23-32-14-17-49-45(32)50-27-37)46(59)52-65(62,63)38-10-12-41(42(25-38)57(60)61)51-35-15-18-56(29-35)44(58)30-53(3)4/h5-12,14,17,23-25,27,35,51H,13,15-16,18-22,26,28-30H2,1-4H3,(H,49,50)(H,52,59)/t35-/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))	BDBM189685 (US10213433, Compound 255 | US11369599, Compound 25...) Show SMILES CN(C)CC(=O)N1CC[C@H](C1)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:53| Show InChI InChI=1S/C47H54ClN9O7S/c1-47(2)16-13-33(40(26-47)31-5-7-34(48)8-6-31)28-54-19-21-55(22-20-54)36-9-11-39(43(24-36)64-37-23-32-14-17-49-45(32)50-27-37)46(59)52-65(62,63)38-10-12-41(42(25-38)57(60)61)51-35-15-18-56(29-35)44(58)30-53(3)4/h5-12,14,17,23-25,27,35,51H,13,15-16,18-22,26,28-30H2,1-4H3,(H,49,50)(H,52,59)/t35-/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