null
SMILES: CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)C#N
InChI Key: InChIKey=RYGLALTWQJAUSB-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cruzipain (Trypanosoma cruzi) | BDBM50303421 (6-(3-Chlorophenylamino)-9-ethyl-9H-purine-2-carbon...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute Curated by ChEMBL | Assay Description Inhibition of Trypanosoma cruzi cruzain after 15 mins | J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Cruzipain (Trypanosoma cruzi) | BDBM50303421 (6-(3-Chlorophenylamino)-9-ethyl-9H-purine-2-carbon...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute Curated by ChEMBL | Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis | J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |