BDBM50070928 CHEMBL3409519

SMILES: [Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCCc1cccs1

InChI Key: InChIKey=KYGPEPINMBKAAG-IBGZPJMESA-M

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50070928   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070928 (CHEMBL3409519) Show SMILES [Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCCc1cccs1 |r| Show InChI InChI=1S/C21H30N3O5PS/c1-16(2)13-19(20(25)22-11-10-18-9-6-12-31-18)24-30(27,28)15-23-21(26)29-14-17-7-4-3-5-8-17/h3-9,12,16,19H,10-11,13-15H2,1-2H3,(H,22,25)(H,23,26)(H2,24,27,28)/p-1/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	189	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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