BDBM50324959 (S)-3-((S)-2-isopropyl-4-oxo-4-(2-(2-(pyridin-3-yl)-1H-benzo[d]imidazol-1-yl)ethylamino)butanamido)-4-oxobutanoic acid::CHEMBL1221690
SMILES: CC(C)[C@H](CC(=O)NCCn1c(nc2ccccc12)-c1cccnc1)C(=O)N[C@@H](CC(O)=O)C=O
InChI Key: InChIKey=VREGTSHBUZCWED-OALUTQOASA-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)) | BDBM50324959![]() ((S)-3-((S)-2-isopropyl-4-oxo-4-(2-(2-(pyridin-3-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | Article PubMed | 3.85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human ICE | Bioorg Med Chem Lett 20: 5184-90 (2010) Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-1 (Homo sapiens (Human)) | BDBM50324959![]() ((S)-3-((S)-2-isopropyl-4-oxo-4-(2-(2-(pyridin-3-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 26.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human ICE | Bioorg Med Chem Lett 20: 5184-90 (2010) Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X | |||||||||||
More data for this Ligand-Target Pair |