BDBM50303512 2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile::CHEMBL577934
SMILES: COc1ccc(cc1)-c1[nH]c2nc(N)[nH]c(=O)c2c1C#N
InChI Key: InChIKey=XIQVXNJSPIMGQQ-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 |
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Pteridine reductase 1 (Leishmania major) | BDBM50303512 (2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-p...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee Curated by ChEMBL | Assay Description Inhibition of Leishmania major recombinant PTR1 | J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP | |||||||||||
More data for this Ligand-Target Pair |