BDBM50040002 (S)-2-((R)-2-Amino-3-phenyl-propionylamino)-4-methyl-pentanoic acid ((S)-1-ethylcarbamoyl-butyl)-amide::CHEMBL101953

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

InChI Key: InChIKey=CBUSOBMIUISEJC-QYZOEREBSA-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 = 50040002   

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))	BDBM50040002 ((S)-2-((R)-2-Amino-3-phenyl-propionylamino)-4-meth...) Show SMILES CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(=O)NCC Show InChI InChI=1S/C22H36N4O3/c1-5-10-18(21(28)24-6-2)25-22(29)19(13-15(3)4)26-20(27)17(23)14-16-11-8-7-9-12-16/h7-9,11-12,15,17-19H,5-6,10,13-14,23H2,1-4H3,(H,24,28)(H,25,29)(H,26,27)/t17-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	244	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of porcine erythrocyte calpain 1.				J Med Chem 37: 2918-29 (1994) BindingDB Entry DOI: 10.7270/Q2BR8R64
					More data for this Ligand-Target Pair