Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen A' and Ligand = 'BDBM50036067'   

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))	BDBM50036067 (2-(3-Isopropyl-1-oxo-1,9-dihydro-beta-carbolin-2-y...) Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3ccccc3c2cc1C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C22H24F3N3O3/c1-11(2)16-9-14-13-7-5-6-8-15(13)26-19(14)21(31)28(16)10-17(29)27-18(12(3)4)20(30)22(23,24)25/h5-9,11-12,18,31H,10H2,1-4H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	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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