Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thermolysin' and Ligand = 'BDBM50070910'   

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)	BDBM50070910 (CHEMBL3409534) Show SMILES [Li+].[Li+].CC[C@H](NC(=O)[C@H](C)NP([O-])(=O)CNC(=O)OCc1ccccc1)C([O-])=O |r| Show InChI InChI=1S/C16H24N3O7P.2Li/c1-3-13(15(21)22)18-14(20)11(2)19-27(24,25)10-17-16(23)26-9-12-7-5-4-6-8-12;;/h4-8,11,13H,3,9-10H2,1-2H3,(H,17,23)(H,18,20)(H,21,22)(H2,19,24,25);;/q;2*+1/p-2/t11-,13-;;/m0../s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
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