Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM145199'   

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))	BDBM145199 (US8952157, 390 | US9303025, 390) Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cnc(N)c(Cl)c3)c2)CO1)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C41H44Cl3FN6O7S/c1-40(2)20-33(26-3-5-28(42)6-4-26)27(24-57-40)23-50-11-13-51(14-12-50)29-7-8-32(36(17-29)58-30-18-34(43)37(46)47-21-30)38(52)49-59(53,54)31-19-35(44)39(48-22-31)56-25-41(45)9-15-55-16-10-41/h3-8,17-19,21-22H,9-16,20,23-25H2,1-2H3,(H2,46,47)(H,49,52)	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. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9303025 (2016) BindingDB Entry DOI: 10.7270/Q2XD10JP
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM145199 (US8952157, 390 | US9303025, 390) Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cnc(N)c(Cl)c3)c2)CO1)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C41H44Cl3FN6O7S/c1-40(2)20-33(26-3-5-28(42)6-4-26)27(24-57-40)23-50-11-13-51(14-12-50)29-7-8-32(36(17-29)58-30-18-34(43)37(46)47-21-30)38(52)49-59(53,54)31-19-35(44)39(48-22-31)56-25-41(45)9-15-55-16-10-41/h3-8,17-19,21-22H,9-16,20,23-25H2,1-2H3,(H2,46,47)(H,49,52)	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.; 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 US8952157 (2015) BindingDB Entry DOI: 10.7270/Q2QN65G9
					More data for this Ligand-Target Pair