Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen B' and Ligand = 'BDBM50289951'   

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))	BDBM50289951 (CHEMBL63952 | [5-Methyl-4-oxo-2-(1-phenyl-ethylami...) Show SMILES C[C@@H](Nc1nc2ccc(NC(=O)OC(C)(C)C)c(C)c2c(=O)o1)c1ccccc1 Show InChI InChI=1S/C22H25N3O4/c1-13-16(25-21(27)29-22(3,4)5)11-12-17-18(13)19(26)28-20(24-17)23-14(2)15-9-7-6-8-10-15/h6-12,14H,1-5H3,(H,23,24)(H,25,27)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against human chymotrypsin				Bioorg Med Chem Lett 7: 2105-2108 (1997) Article DOI: 10.1016/S0960-894X(97)00368-5 BindingDB Entry DOI: 10.7270/Q2RR1Z6P
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