Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM145139'   

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))	BDBM145139 (US8952157, 330 | US9303025, 330) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56| Show InChI InChI=1S/C43H47Cl2FN6O8S/c1-42(2)12-11-29(35(24-42)28-3-5-30(44)6-4-28)26-50-15-17-51(18-16-50)31-7-9-34(39(21-31)60-32-22-36(45)40(47)48-25-32)41(53)49-61(56,57)33-8-10-38(37(23-33)52(54)55)59-27-43(46)13-19-58-20-14-43/h3-10,21-23,25H,11-20,24,26-27H2,1-2H3,(H2,47,48)(H,49,53)	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))	BDBM145139 (US8952157, 330 | US9303025, 330) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56| Show InChI InChI=1S/C43H47Cl2FN6O8S/c1-42(2)12-11-29(35(24-42)28-3-5-30(44)6-4-28)26-50-15-17-51(18-16-50)31-7-9-34(39(21-31)60-32-22-36(45)40(47)48-25-32)41(53)49-61(56,57)33-8-10-38(37(23-33)52(54)55)59-27-43(46)13-19-58-20-14-43/h3-10,21-23,25H,11-20,24,26-27H2,1-2H3,(H2,47,48)(H,49,53)	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