Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189725'   

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))	BDBM189725 (US10213433, Compound 295 | US11369599, Compound 29...) Show SMILES CN(C)CC(=O)N1CCC(COc2ccc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:50| Show InChI InChI=1S/C49H57Cl2N7O6S/c1-49(2)17-13-36(42(28-49)34-5-7-37(50)8-6-34)30-56-21-23-57(24-22-56)38-9-11-41(45(26-38)64-39-25-35-14-18-52-47(35)53-29-39)48(60)54-65(61,62)40-10-12-44(43(51)27-40)63-32-33-15-19-58(20-16-33)46(59)31-55(3)4/h5-12,14,18,25-27,29,33H,13,15-17,19-24,28,30-32H2,1-4H3,(H,52,53)(H,54,60)	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))	BDBM189725 (US10213433, Compound 295 | US11369599, Compound 29...) Show SMILES CN(C)CC(=O)N1CCC(COc2ccc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:50| Show InChI InChI=1S/C49H57Cl2N7O6S/c1-49(2)17-13-36(42(28-49)34-5-7-37(50)8-6-34)30-56-21-23-57(24-22-56)38-9-11-41(45(26-38)64-39-25-35-14-18-52-47(35)53-29-39)48(60)54-65(61,62)40-10-12-44(43(51)27-40)63-32-33-15-19-58(20-16-33)46(59)31-55(3)4/h5-12,14,18,25-27,29,33H,13,15-17,19-24,28,30-32H2,1-4H3,(H,52,53)(H,54,60)	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))	BDBM189725 (US10213433, Compound 295 | US11369599, Compound 29...) Show SMILES CN(C)CC(=O)N1CCC(COc2ccc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:50| Show InChI InChI=1S/C49H57Cl2N7O6S/c1-49(2)17-13-36(42(28-49)34-5-7-37(50)8-6-34)30-56-21-23-57(24-22-56)38-9-11-41(45(26-38)64-39-25-35-14-18-52-47(35)53-29-39)48(60)54-65(61,62)40-10-12-44(43(51)27-40)63-32-33-15-19-58(20-16-33)46(59)31-55(3)4/h5-12,14,18,25-27,29,33H,13,15-17,19-24,28,30-32H2,1-4H3,(H,52,53)(H,54,60)	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))	BDBM189725 (US10213433, Compound 295 | US11369599, Compound 29...) Show SMILES CN(C)CC(=O)N1CCC(COc2ccc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:50| Show InChI InChI=1S/C49H57Cl2N7O6S/c1-49(2)17-13-36(42(28-49)34-5-7-37(50)8-6-34)30-56-21-23-57(24-22-56)38-9-11-41(45(26-38)64-39-25-35-14-18-52-47(35)53-29-39)48(60)54-65(61,62)40-10-12-44(43(51)27-40)63-32-33-15-19-58(20-16-33)46(59)31-55(3)4/h5-12,14,18,25-27,29,33H,13,15-17,19-24,28,30-32H2,1-4H3,(H,52,53)(H,54,60)	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