BDBM50162075 CHEMBL3794167
SMILES: CNc1nc2OCCOCCOc3cccc(Cn4c(n2)c1[nH]c4=O)c3
InChI Key: InChIKey=OJHLJXROBUJUPQ-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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MutT homolog 1 protein (MTH1) (Homo sapiens (Human)) | BDBM50162075 (CHEMBL3794167) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l. Curated by ChEMBL | Assay Description Inhibition of MTH1 (unknown origin) using 8-oxo-dGTP as substrate | J Med Chem 59: 2343-5 (2016) BindingDB Entry DOI: 10.7270/Q2VX0JDP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |