Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen B' and Ligand = 'BDBM50289955'   

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))	BDBM50289955 (5-Methyl-2-(1-phenyl-ethylamino)-benzo[d][1,3]oxaz...) Show SMILES C[C@H](Nc1nc2cccc(C)c2c(=O)o1)c1ccccc1 Show InChI InChI=1S/C17H16N2O2/c1-11-7-6-10-14-15(11)16(20)21-17(19-14)18-12(2)13-8-4-3-5-9-13/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	180	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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