Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM145158'   

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))	BDBM145158 (US8952157, 349 | US9303025, 349) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:54| Show InChI InChI=1S/C42H46Cl3FN6O6S/c1-41(2)10-9-28(34(22-41)27-3-5-29(43)6-4-27)25-51-13-15-52(16-14-51)30-7-8-33(37(19-30)58-31-20-35(44)38(47)48-23-31)39(53)50-59(54,55)32-21-36(45)40(49-24-32)57-26-42(46)11-17-56-18-12-42/h3-8,19-21,23-24H,9-18,22,25-26H2,1-2H3,(H2,47,48)(H,50,53)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0190	-61.2	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))	BDBM145158 (US8952157, 349 | US9303025, 349) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:54| Show InChI InChI=1S/C42H46Cl3FN6O6S/c1-41(2)10-9-28(34(22-41)27-3-5-29(43)6-4-27)25-51-13-15-52(16-14-51)30-7-8-33(37(19-30)58-31-20-35(44)38(47)48-23-31)39(53)50-59(54,55)32-21-36(45)40(49-24-32)57-26-42(46)11-17-56-18-12-42/h3-8,19-21,23-24H,9-18,22,25-26H2,1-2H3,(H2,47,48)(H,50,53)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0190	-61.2	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