Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thermolysin' and Ligand = 'BDBM50070943'   

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)	BDBM50070943 (CHEMBL3409505) Show SMILES [Li+].CCC[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCCC(C)C |r| Show InChI InChI=1S/C19H32N3O5P/c1-4-8-17(18(23)20-12-11-15(2)3)22-28(25,26)14-21-19(24)27-13-16-9-6-5-7-10-16/h5-7,9-10,15,17H,4,8,11-14H2,1-3H3,(H,20,23)(H,21,24)(H2,22,25,26)/p-1/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	219	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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