Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM31808'   

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))	BDBM31808 (Apogossypol derivative, 8j) Show SMILES Cc1cc(C)c(CNC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)NCc4c(C)cc(C)cc4C)c(O)c(O)cc3c2O)c(C)c1 |(8.37,15.86,;7.04,15.09,;5.7,15.86,;4.37,15.09,;3.04,15.86,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,-1.08,;-2.3,-2.62,;-.96,-3.39,;-3.63,-3.39,;-4.97,-2.62,;-6.3,-3.39,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;5.7,12.78,;5.7,11.24,;7.04,13.55,)| Show InChI InChI=1S/C44H44N2O8/c1-19-9-21(3)31(22(4)10-19)17-45-43(53)37-27-13-25(7)35(39(49)29(27)15-33(47)41(37)51)36-26(8)14-28-30(40(36)50)16-34(48)42(52)38(28)44(54)46-18-32-23(5)11-20(2)12-24(32)6/h9-16,47-52H,17-18H2,1-8H3,(H,45,53)(H,46,54)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	7.4	23
Burnham Institute for Medical Research					Assay Description FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...				J Med Chem 52: 4511-23 (2009) Article DOI: 10.1021/jm900472s BindingDB Entry DOI: 10.7270/Q247486S
					More data for this Ligand-Target Pair