Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thermolysin' and Ligand = 'BDBM50035247'   

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
Thermolysin (Bacillus thermoproteolyticus)	BDBM50035247 (2-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-3-(1H...) Show SMILES CC(C)C(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C17H21N3O5/c1-9(2)14(16(22)20-25)15(21)19-13(17(23)24)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18,25H,7H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against thermolysin with 0.5 uM [Leu5]-enkephalin (NEN)				J Med Chem 38: 2119-29 (1995) BindingDB Entry DOI: 10.7270/Q2D79C2M
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