Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM145162'   

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))	BDBM145162 (US8952157, 353 | US9303025, 353) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(CC(F)F)C4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C43H48Cl2F2N8O6S/c1-43(2)13-11-28(35(22-43)27-3-5-29(44)6-4-27)24-52-15-17-54(18-16-52)31-7-9-34(39(19-31)61-32-20-36(45)41(48)49-23-32)42(56)51-62(59,60)33-8-10-37(38(21-33)55(57)58)50-30-12-14-53(25-30)26-40(46)47/h3-10,19-21,23,30,40,50H,11-18,22,24-26H2,1-2H3,(H2,48,49)(H,51,56)/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0160	-61.6	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))	BDBM145162 (US8952157, 353 | US9303025, 353) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(CC(F)F)C4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C43H48Cl2F2N8O6S/c1-43(2)13-11-28(35(22-43)27-3-5-29(44)6-4-27)24-52-15-17-54(18-16-52)31-7-9-34(39(19-31)61-32-20-36(45)41(48)49-23-32)42(56)51-62(59,60)33-8-10-37(38(21-33)55(57)58)50-30-12-14-53(25-30)26-40(46)47/h3-10,19-21,23,30,40,50H,11-18,22,24-26H2,1-2H3,(H2,48,49)(H,51,56)/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0160	-61.6	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