Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189515'   

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))	BDBM189515 (US10213433, Compound 67 | US11369599, Compound 67 ...) Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)OC2)c2ccc(Cl)cc2)CC1 |t:49| Show InChI InChI=1S/C43H48ClN9O7S/c1-43(2)25-37(29-4-6-32(44)7-5-29)31(28-59-43)27-50-16-18-51(19-17-50)33-8-10-36(40(23-33)60-34-22-30-12-13-45-41(30)46-26-34)42(54)48-61(57,58)35-9-11-38(39(24-35)53(55)56)47-52-20-14-49(3)15-21-52/h4-13,22-24,26,47H,14-21,25,27-28H2,1-3H3,(H,45,46)(H,48,54)	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))	BDBM189515 (US10213433, Compound 67 | US11369599, Compound 67 ...) Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)OC2)c2ccc(Cl)cc2)CC1 |t:49| Show InChI InChI=1S/C43H48ClN9O7S/c1-43(2)25-37(29-4-6-32(44)7-5-29)31(28-59-43)27-50-16-18-51(19-17-50)33-8-10-36(40(23-33)60-34-22-30-12-13-45-41(30)46-26-34)42(54)48-61(57,58)35-9-11-38(39(24-35)53(55)56)47-52-20-14-49(3)15-21-52/h4-13,22-24,26,47H,14-21,25,27-28H2,1-3H3,(H,45,46)(H,48,54)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM189515 (US10213433, Compound 67 | US11369599, Compound 67 ...) Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)OC2)c2ccc(Cl)cc2)CC1 |t:49| Show InChI InChI=1S/C43H48ClN9O7S/c1-43(2)25-37(29-4-6-32(44)7-5-29)31(28-59-43)27-50-16-18-51(19-17-50)33-8-10-36(40(23-33)60-34-22-30-12-13-45-41(30)46-26-34)42(54)48-61(57,58)35-9-11-38(39(24-35)53(55)56)47-52-20-14-49(3)15-21-52/h4-13,22-24,26,47H,14-21,25,27-28H2,1-3H3,(H,45,46)(H,48,54)	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))	BDBM189515 (US10213433, Compound 67 | US11369599, Compound 67 ...) Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)OC2)c2ccc(Cl)cc2)CC1 |t:49| Show InChI InChI=1S/C43H48ClN9O7S/c1-43(2)25-37(29-4-6-32(44)7-5-29)31(28-59-43)27-50-16-18-51(19-17-50)33-8-10-36(40(23-33)60-34-22-30-12-13-45-41(30)46-26-34)42(54)48-61(57,58)35-9-11-38(39(24-35)53(55)56)47-52-20-14-49(3)15-21-52/h4-13,22-24,26,47H,14-21,25,27-28H2,1-3H3,(H,45,46)(H,48,54)	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