Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen A' and Ligand = 'BDBM50036075'   

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))	BDBM50036075 (CHEMBL368630 | {1-Oxo-3-phenyl-2-[(3,3,3-trifluoro...) Show SMILES COP(=O)(OC)c1cccc2c3cc(-c4ccccc4)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c(O)c3nc12 Show InChI InChI=1S/C27H27F3N3O6P/c1-15(2)22(25(35)27(28,29)30)31-21(34)14-33-19(16-9-6-5-7-10-16)13-18-17-11-8-12-20(40(37,38-3)39-4)23(17)32-24(18)26(33)36/h5-13,15,22,36H,14H2,1-4H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against bovine chymotrypsin				J Med Chem 38: 86-97 (1995) BindingDB Entry DOI: 10.7270/Q2TD9WDR
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