Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM144858'   

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))	BDBM144858 (US8952157, 40 | US9303025, 40) Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc(N)c(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47| Show InChI InChI=1S/C44H51Cl2N7O6S/c1-44(2)17-14-30(37(27-44)29-4-6-31(45)7-5-29)28-51-20-22-52(23-21-51)33-8-11-36(42(24-33)59-34-9-12-39(47)38(46)25-34)43(54)49-60(57,58)35-10-13-40(41(26-35)53(55)56)48-32-15-18-50(3)19-16-32/h4-13,24-26,32,48H,14-23,27-28,47H2,1-3H3,(H,49,54)	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))	BDBM144858 (US8952157, 40 | US9303025, 40) Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc(N)c(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47| Show InChI InChI=1S/C44H51Cl2N7O6S/c1-44(2)17-14-30(37(27-44)29-4-6-31(45)7-5-29)28-51-20-22-52(23-21-51)33-8-11-36(42(24-33)59-34-9-12-39(47)38(46)25-34)43(54)49-60(57,58)35-10-13-40(41(26-35)53(55)56)48-32-15-18-50(3)19-16-32/h4-13,24-26,32,48H,14-23,27-28,47H2,1-3H3,(H,49,54)	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