BDBM50093803 CHEMBL316201::[(1S,2S)-1-((S)-1-Benzyl-2-oxo-2-phenethylcarbamoyl-ethylcarbamoyl)-2-isopropyl-cyclopropyl]-carbamic acid benzyl ester
SMILES: CC(C)[C@@H]1C[C@@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
InChI Key: InChIKey=IVRKCBSUZUYYCM-DRVYDUGISA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calpain small subunit 1 (Sus scrofa) | BDBM50093803 (CHEMBL316201 | [(1S,2S)-1-((S)-1-Benzyl-2-oxo-2-ph...) | 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 Health Science Center Curated by ChEMBL | Assay Description The compound was evaluated for inhibition of Calpain 1 from porcine erythrocytes | Bioorg Med Chem Lett 10: 2497-500 (2001) BindingDB Entry DOI: 10.7270/Q2QF8S4Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50093803 (CHEMBL316201 | [(1S,2S)-1-((S)-1-Benzyl-2-oxo-2-ph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 6.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center Curated by ChEMBL | Assay Description The compound was evaluated for inhibition of cathepsin B from human liver | Bioorg Med Chem Lett 10: 2497-500 (2001) BindingDB Entry DOI: 10.7270/Q2QF8S4Z | |||||||||||
More data for this Ligand-Target Pair |