Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM145170'   

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))	BDBM145170 (US8952157, 361 | US9303025, 361) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Br)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:55| Show InChI InChI=1S/C42H47BrClN7O8S/c1-42(2)12-11-28(35(22-42)27-3-5-29(44)6-4-27)25-49-13-15-50(16-14-49)30-7-9-34(39(19-30)59-31-20-36(43)40(45)47-23-31)41(52)48-60(55,56)33-8-10-37(38(21-33)51(53)54)46-24-32-26-57-17-18-58-32/h3-10,19-21,23,32,46H,11-18,22,24-26H2,1-2H3,(H2,45,47)(H,48,52)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0150	-61.8	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))	BDBM145170 (US8952157, 361 | US9303025, 361) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Br)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:55| Show InChI InChI=1S/C42H47BrClN7O8S/c1-42(2)12-11-28(35(22-42)27-3-5-29(44)6-4-27)25-49-13-15-50(16-14-49)30-7-9-34(39(19-30)59-31-20-36(43)40(45)47-23-31)41(52)48-60(55,56)33-8-10-37(38(21-33)51(53)54)46-24-32-26-57-17-18-58-32/h3-10,19-21,23,32,46H,11-18,22,24-26H2,1-2H3,(H2,45,47)(H,48,52)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0150	-61.8	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