BDBM50396786 CHEMBL2172740

SMILES: CCNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1

InChI Key: InChIKey=AYDYEZVQGYFZKJ-HNNXBMFYSA-M

Data: 2 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 2 hits for monomerid = 50396786   

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)	BDBM50396786 (CHEMBL2172740) Show SMILES CCNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C17H28N3O5P/c1-4-18-16(21)15(10-13(2)3)20-26(23,24)12-19-17(22)25-11-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,18,21)(H,19,22)(H2,20,23,24)/p-1/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	289	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 Binding affinity to Bacillus thermoproteolyticus thermolysin by UV-VIS spectrophotometric analysis in presence of 2-furanacryloyl-Gly-Leu-NH2				J Med Chem 55: 8283-302 (2012) Article DOI: 10.1021/jm300472k BindingDB Entry DOI: 10.7270/Q27M092M
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50396786 (CHEMBL2172740) Show SMILES CCNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C17H28N3O5P/c1-4-18-16(21)15(10-13(2)3)20-26(23,24)12-19-17(22)25-11-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,18,21)(H,19,22)(H2,20,23,24)/p-1/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	291	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
					More data for this Ligand-Target Pair