BDBM50101324 CHEMBL176188::{(S)-1-[(S)-1-Benzyl-2-(ethoxy-methyl-carbamoyl)-2-oxo-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester

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

InChI Key: InChIKey=HDTAQXNAIIYKMX-GOTSBHOMSA-N

Data: 1 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101324   

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
Calpain small subunit 1 (Sus scrofa)	BDBM50101324 (CHEMBL176188 | {(S)-1-[(S)-1-Benzyl-2-(ethoxy-meth...) Show SMILES CCON(C)C(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C27H35N3O6/c1-5-36-30(4)26(33)24(31)22(17-20-12-8-6-9-13-20)28-25(32)23(16-19(2)3)29-27(34)35-18-21-14-10-7-11-15-21/h6-15,19,22-23H,5,16-18H2,1-4H3,(H,28,32)(H,29,34)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated against porcine erythrocyte Calpain 1 at the S1 subsite of the enzyme				Bioorg Med Chem Lett 11: 1753-5 (2001) BindingDB Entry DOI: 10.7270/Q26972V8
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