Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thermolysin' and Ligand = 'BDBM50073210'   

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)	BDBM50073210 ((S)-2-Benzyl-3-(formyl-hydroxy-amino)-N-methyl-pro...) Show SMILES CNC(=O)[C@H](CN(O)C=O)Cc1ccccc1 Show InChI InChI=1S/C12H16N2O3/c1-13-12(16)11(8-14(17)9-15)7-10-5-3-2-4-6-10/h2-6,9,11,17H,7-8H2,1H3,(H,13,16)/t11-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science and Technology Curated by ChEMBL					Assay Description Inhibitory activity against thermolysin				Bioorg Med Chem Lett 8: 3515-8 (1999) BindingDB Entry DOI: 10.7270/Q2S46R49
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