Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen A' and Ligand = 'BDBM50284222'   

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))	BDBM50284222 (2,3-Dimethyl-1-phenethyl-1,7-dihydro-5-oxa-1,7-dia...) Show SMILES Cc1c(C)c2c(O)oc(=O)nc2n1CCc1ccccc1 Show InChI InChI=1S/C16H16N2O3/c1-10-11(2)18(9-8-12-6-4-3-5-7-12)14-13(10)15(19)21-16(20)17-14/h3-7,19H,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of porcine chymotrypsin.				Bioorg Med Chem Lett 4: 949-954 (1994) Article DOI: 10.1016/S0960-894X(01)80270-5 BindingDB Entry DOI: 10.7270/Q27W6C4C
					More data for this Ligand-Target Pair