BDBM50306596 3-(4-((S)-4-methyl-2-(quinolin-6-ylmethylamino)pentan-2-yl)-1H-1,2,3-triazol-1-yl)-1-(2,3,5,6-tetrafluorophenoxy)heptan-2-one::CHEMBL592404
SMILES: CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@](C)(CC(C)C)NCc1ccc2ncccc2c1
InChI Key: InChIKey=KGNPAFUIDAMTOY-KHTLXAHUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cruzipain (Trypanosoma cruzi) | BDBM50306596 (3-(4-((S)-4-methyl-2-(quinolin-6-ylmethylamino)pen...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of Trypanosoma cruzi cruzain | J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172 | |||||||||||
More data for this Ligand-Target Pair |