BDBM50091573 1-{3-Methyl-2-[(naphthalene-2-carbonyl)-amino]-butyryl}-pyrrolidine-2-carboxylic acid (1-formyl-3-methanesulfonylamino-3-oxo-propyl)-amide::CHEMBL114830
SMILES: CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)NC(CC(=O)NS(C)(=O)=O)C=O
InChI Key: InChIKey=IGFYXXJBAZZOHF-ZXNYFWILSA-N
Data: 1 IC50
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)) | BDBM50091573 (1-{3-Methyl-2-[(naphthalene-2-carbonyl)-amino]-but...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
BASF Bioresearch Corporation Curated by ChEMBL | Assay Description Dissociation constant for inhibition of caspase-1 | J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98 | |||||||||||
More data for this Ligand-Target Pair |