BDBM50066991 (R)-2-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-4-methyl-pentanoic acid::CHEMBL127231

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

InChI Key: InChIKey=XGJGWYRHLPSMLW-ZYMOGRSISA-N

Data: 1 IC50

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 = 50066991   

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))	BDBM50066991 ((R)-2-(2-Benzyloxycarbonylamino-4-methyl-pentanoyl...) Show SMILES CC(C)C[C@@H](NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C20H30N2O5/c1-13(2)10-16(18(23)21-17(19(24)25)11-14(3)4)22-20(26)27-12-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)/t16?,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description inhibitory activity measured against recombinant human Calpain-I receptor				J Med Chem 41: 3912-6 (1998) Article DOI: 10.1021/jm980325e BindingDB Entry DOI: 10.7270/Q21V5D3R
					More data for this Ligand-Target Pair