Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thermolysin' and Ligand = 'BDBM50474144'   

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)	BDBM50474144 (CHEMBL287732) Show SMILES CC(C)CC(OP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(C)C(O)=O Show InChI InChI=1S/C25H33N2O8P/c1-17(2)14-21(23(28)26-18(3)24(29)30)35-36(32,33)22(15-19-10-6-4-7-11-19)27-25(31)34-16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3,(H,26,28)(H,27,31)(H,29,30)(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)				J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T
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