Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM21422'   

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))	BDBM21422 (4-Alkyl-4-methoxypiperidine derivative, 8n | N-[(4...) Show SMILES COC1(Cc2ccc(cc2)-c2ccccc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C44H49N5O6S2/c1-47(2)27-24-37(32-56-39-12-8-5-9-13-39)45-41-23-22-40(30-42(41)49(51)52)57(53,54)46-43(50)36-18-20-38(21-19-36)48-28-25-44(55-3,26-29-48)31-33-14-16-35(17-15-33)34-10-6-4-7-11-34/h4-23,30,37,45H,24-29,31-32H2,1-3H3,(H,46,50)/t37-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
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