BDBM50080209 CHEMBL78324::{1-[((S)-1-Formyl-2-phenyl-ethyl)-methyl-carbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester

SMILES: CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C=O

InChI Key: InChIKey=MTYVRVLHDHKHKY-BGERDNNASA-N

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 = 50080209   

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
Calpain1 (Homo sapiens (Human))	BDBM50080209 (CHEMBL78324 | {1-[((S)-1-Formyl-2-phenyl-ethyl)-me...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C23H28N2O4/c1-17(2)21(24-23(28)29-16-19-12-8-5-9-13-19)22(27)25(3)20(15-26)14-18-10-6-4-7-11-18/h4-13,15,17,20-21H,14,16H2,1-3H3,(H,24,28)/t20-,21?/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity against calpain.				Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J
					More data for this Ligand-Target Pair