Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189698'   

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))	BDBM189698 (US10213433, Compound 268 | US11369599, Compound 26...) Show SMILES CC(C)N1CCC2(CC1)CCC(=C(CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c1)C2)c1ccc(Cl)cc1 |t:12| Show InChI InChI=1S/C49H57Cl2N7O6S/c1-33(2)57-17-14-49(15-18-57)13-9-42(35-3-5-38(50)6-4-35)37(28-49)31-56-19-21-58(22-20-56)39-7-8-43(45(26-39)64-40-25-36-10-16-52-46(36)53-29-40)47(59)55-65(60,61)41-27-44(51)48(54-30-41)63-32-34-11-23-62-24-12-34/h3-8,10,16,25-27,29-30,33-34H,9,11-15,17-24,28,31-32H2,1-2H3,(H,52,53)(H,55,59)	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))	BDBM189698 (US10213433, Compound 268 | US11369599, Compound 26...) Show SMILES CC(C)N1CCC2(CC1)CCC(=C(CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c1)C2)c1ccc(Cl)cc1 |t:12| Show InChI InChI=1S/C49H57Cl2N7O6S/c1-33(2)57-17-14-49(15-18-57)13-9-42(35-3-5-38(50)6-4-35)37(28-49)31-56-19-21-58(22-20-56)39-7-8-43(45(26-39)64-40-25-36-10-16-52-46(36)53-29-40)47(59)55-65(60,61)41-27-44(51)48(54-30-41)63-32-34-11-23-62-24-12-34/h3-8,10,16,25-27,29-30,33-34H,9,11-15,17-24,28,31-32H2,1-2H3,(H,52,53)(H,55,59)	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))	BDBM189698 (US10213433, Compound 268 | US11369599, Compound 26...) Show SMILES CC(C)N1CCC2(CC1)CCC(=C(CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c1)C2)c1ccc(Cl)cc1 |t:12| Show InChI InChI=1S/C49H57Cl2N7O6S/c1-33(2)57-17-14-49(15-18-57)13-9-42(35-3-5-38(50)6-4-35)37(28-49)31-56-19-21-58(22-20-56)39-7-8-43(45(26-39)64-40-25-36-10-16-52-46(36)53-29-40)47(59)55-65(60,61)41-27-44(51)48(54-30-41)63-32-34-11-23-62-24-12-34/h3-8,10,16,25-27,29-30,33-34H,9,11-15,17-24,28,31-32H2,1-2H3,(H,52,53)(H,55,59)	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