Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen A' and Ligand = 'BDBM50284212'   

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))	BDBM50284212 (9-Cyclohexyl-6-methoxy-1,9-dihydro-[1,3]oxazino[4,...) Show SMILES COc1ccc2n(C3CCCCC3)c3nc(=O)oc(O)c3c2c1 Show InChI InChI=1S/C17H18N2O4/c1-22-11-7-8-13-12(9-11)14-15(18-17(21)23-16(14)20)19(13)10-5-3-2-4-6-10/h7-10,20H,2-6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+6	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