BDBM50139697 3-Benzyloxycarbonylamino-5-(2-cyclohexyl-ethanesulfonylamino)-4-oxo-pentanoic acid::CHEMBL354101
SMILES: OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCC1CCCCC1
InChI Key: InChIKey=HGAUHJYHPRSZGO-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Caspase-1 (Homo sapiens (Human)) | BDBM50139697 (3-Benzyloxycarbonylamino-5-(2-cyclohexyl-ethanesul...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibitory activity against caspase-1 | Bioorg Med Chem Lett 14: 809-12 (2004) BindingDB Entry DOI: 10.7270/Q2FB52CR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-1 (Homo sapiens (Human)) | BDBM50139697 (3-Benzyloxycarbonylamino-5-(2-cyclohexyl-ethanesul...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.36E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibitory activity against caspase-1 | Bioorg Med Chem Lett 14: 809-12 (2004) BindingDB Entry DOI: 10.7270/Q2FB52CR | |||||||||||
More data for this Ligand-Target Pair |