Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen A' and Ligand = 'BDBM50066996'   

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 A (Bos taurus (bovine))	BDBM50066996 ((3S,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrol...) Show SMILES C=CC[C@H]1C2[C@H](CCN2C(=O)OCc2ccccc2)OC1=O Show InChI InChI=1S/C17H19NO4/c1-2-6-13-15-14(22-16(13)19)9-10-18(15)17(20)21-11-12-7-4-3-5-8-12/h2-5,7-8,13-15H,1,6,9-11H2/t13-,14-,15?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Medicines Research Centre Curated by ChEMBL					Assay Description The compound was tested for inhibition of Chymotrypsinogen with a preincubation time of 15 min				J Med Chem 41: 3919-22 (1998) Article DOI: 10.1021/jm981026s BindingDB Entry DOI: 10.7270/Q2X34WMC
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