BDBM50326307 3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methylpiperazin-1-yl)propyl)-2-oxophenylbutanamide::CHEMBL1240876
SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1
InChI Key: InChIKey=PODDGZAZCICMEW-CPRJBALCSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calpain-1 (Sus scrofa (pig)) | BDBM50326307 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology Curated by ChEMBL | Assay Description Inhibition of porcine erythrocyte calpain 1 | J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain 2 (Sus scrofa) | BDBM50326307 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...) | MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology Curated by ChEMBL | Assay Description Inhibition of porcine kidney calpain 2 | J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50326307 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.11E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology Curated by ChEMBL | Assay Description Inhibition of human liver cathepsin B | J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 | |||||||||||
More data for this Ligand-Target Pair |