Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen A' and Ligand = 'BDBM50065866'   

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))	BDBM50065866 ((2S,3S)-3-Allyl-2-benzyl-4-oxo-azetidine-1-carboxy...) Show SMILES C=CC[C@H]1[C@H](Cc2ccccc2)N(C(=O)NCc2ccncc2)C1=O Show InChI InChI=1S/C20H21N3O2/c1-2-6-17-18(13-15-7-4-3-5-8-15)23(19(17)24)20(25)22-14-16-9-11-21-12-10-16/h2-5,7-12,17-18H,1,6,13-14H2,(H,22,25)/t17-,18-/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	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Compound was tested for its activity against bovine pancreatic Alpha-chymotrypsin (BPC)				J Med Chem 41: 2882-91 (1998) Article DOI: 10.1021/jm980131z BindingDB Entry DOI: 10.7270/Q2X63M2J
					More data for this Ligand-Target Pair