Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50044934'   

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))	BDBM50044934 (CHEMBL3311484) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCP(=O)(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C45H47ClF3N4O7PS3/c46-36-14-10-33(11-15-36)41-9-5-4-6-35(41)31-61(55)28-24-53(25-29-61)38-16-12-34(13-17-38)44(54)51-64(58,59)40-18-19-42(43(30-40)63(56,57)45(47,48)49)50-37(20-21-52-22-26-60-27-23-52)32-62-39-7-2-1-3-8-39/h1-19,30,37,50H,20-29,31-32H2,(H,51,54)/t37-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
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