BDBM50176493 (S)-3-((S)-2-((S)-3-methyl-2-(4-(quinoxalin-2-ylamino)benzamido)butanamido)propanamido)-4-oxobutanoic acid::CHEMBL202151
SMILES: CC(C)[C@H](NC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
InChI Key: InChIKey=QYUFYEPOTZGRHQ-UXSWERMXSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Caspase-1 (Homo sapiens (Human)) | BDBM50176493 ((S)-3-((S)-2-((S)-3-methyl-2-(4-(quinoxalin-2-ylam...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against human Caspase 1 | Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD | |||||||||||
More data for this Ligand-Target Pair |