Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM144856'   

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))	BDBM144856 (US8952157, 38 | US9303025, 38) Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Cl)N1CCN(CC2=C(CC(C)(C)OC2)c2ccc(Cl)cc2)CC1 |t:46| Show InChI InChI=1S/C43H48Cl2N6O7S/c1-43(2)26-36(29-8-10-31(44)11-9-29)30(28-57-43)27-49-20-22-50(23-21-49)33-12-14-35(41(24-33)58-40-7-5-4-6-37(40)45)42(52)47-59(55,56)34-13-15-38(39(25-34)51(53)54)46-32-16-18-48(3)19-17-32/h4-15,24-25,32,46H,16-23,26-28H2,1-3H3,(H,47,52)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0130	-62.1	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))	BDBM144856 (US8952157, 38 | US9303025, 38) Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Cl)N1CCN(CC2=C(CC(C)(C)OC2)c2ccc(Cl)cc2)CC1 |t:46| Show InChI InChI=1S/C43H48Cl2N6O7S/c1-43(2)26-36(29-8-10-31(44)11-9-29)30(28-57-43)27-49-20-22-50(23-21-49)33-12-14-35(41(24-33)58-40-7-5-4-6-37(40)45)42(52)47-59(55,56)34-13-15-38(39(25-34)51(53)54)46-32-16-18-48(3)19-17-32/h4-15,24-25,32,46H,16-23,26-28H2,1-3H3,(H,47,52)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0130	-62.1	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