Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen B' and Ligand = 'BDBM50289948'   

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))	BDBM50289948 (2-Dimethylamino-N-[5-methyl-4-oxo-2-(1-phenyl-ethy...) Show SMILES C[C@@H](Nc1nc2ccc(NC(=O)CN(C)C)c(C)c2c(=O)o1)c1ccccc1 Show InChI InChI=1S/C21H24N4O3/c1-13-16(23-18(26)12-25(3)4)10-11-17-19(13)20(27)28-21(24-17)22-14(2)15-8-6-5-7-9-15/h5-11,14H,12H2,1-4H3,(H,22,24)(H,23,26)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.60E+3	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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