BDBM50162072 CHEMBL3794132
SMILES: CN(C)C(=O)Cc1ccc(cc1)-c1nc(N)nc2ccccc12
InChI Key: InChIKey=IYSIGMIQNYJRNC-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)) | BDBM50162072![]() (CHEMBL3794132) | PDB UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 9 | 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) Article DOI: 10.1021/acs.jmedchem.6b00283 BindingDB Entry DOI: 10.7270/Q2VX0JDP | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |