BDBM50042435 3-(2-Isobutoxycarbonylamino-4-methyl-pentanoylamino)-2-oxo-pentanoic acid ethyl ester::CHEMBL116264
SMILES: CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCC(C)C
InChI Key: InChIKey=LQJQAXVNUYULLT-UHFFFAOYSA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin B (Bos taurus (bovine)) | BDBM50042435 (3-(2-Isobutoxycarbonylamino-4-methyl-pentanoylamin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 400 | n/a | n/a | n/a | n/a | n/a | n/a | 5.2 | n/a |
School of Chemistry and Biochemistry Curated by ChEMBL | Assay Description Inhibition of alpha-keto esters towards cathepsin B at pH 5.2 | J Med Chem 36: 3472-80 (1993) BindingDB Entry DOI: 10.7270/Q2F76BK3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain-2 (m-Calpain) (Homo sapiens (Human)) | BDBM50042435 (3-(2-Isobutoxycarbonylamino-4-methyl-pentanoylamin...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 8.0 | n/a |
School of Chemistry and Biochemistry Curated by ChEMBL | Assay Description Inhibitory activity of alpha-keto esters towards calpain 2 at pH 8.0 | J Med Chem 36: 3472-80 (1993) BindingDB Entry DOI: 10.7270/Q2F76BK3 | |||||||||||
More data for this Ligand-Target Pair |