Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen B' and Ligand = 'BDBM50287589'   

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
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50287589 ((S)-3-Acetylamino-2,2-difluoro-4-phenyl-butyric ac...) Show SMILES COC(=O)C(F)(F)[C@H](Cc1ccccc1)NC(C)=O Show InChI InChI=1S/C13H15F2NO3/c1-9(17)16-11(13(14,15)12(18)19-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,16,17)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.8	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibitory activity of the compound toward alpha-chymotrypsin (5 nM concentration) at a pH of 7.8 by progress curve method.				Bioorg Med Chem Lett 6: 1875-1880 (1996) Article DOI: 10.1016/0960-894X(96)00342-3 BindingDB Entry DOI: 10.7270/Q2BG2P0K
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