Reaction Details Report a problem with these data
Target
Oxidized purine nucleoside triphosphate hydrolase
Ligand
BDBM50548109
Substrate
n/a
Meas. Tech.
ChEMBL_2020017 (CHEMBL4673830)
IC50
0.900000±n/a nM
Citation
 Kettle, JG; Alwan, H; Bista, M; Breed, J; Davies, NL; Eckersley, K; Fillery, S; Foote, KM; Goodwin, L; Jones, DR; Käck, H; Lau, A; Nissink, JW; Read, J; Scott, JS; Taylor, B; Walker, G; Wissler, L; Wylot, M Potent and Selective Inhibitors of MTH1 Probe Its Role in Cancer Cell Survival. J Med Chem 59:2346-61 (2016) [PubMed]  Article 
Target
Name:
Oxidized purine nucleoside triphosphate hydrolase
Synonyms:
2-hydroxy-dATP diphosphatase | 3.6.1.- | 3.6.1.56 | 7,8-dihydro-8-oxoguanine triphosphatase | 8-oxo-dGTPase | 8ODP_HUMAN | MTH1 | Methylated purine nucleoside triphosphate hydrolase | MutT homolog 1 protein (MTH1) | NUDT1 | Nucleoside diphosphate-linked moiety X motif 1 | Nudix motif 1 | Oxidized purine nucleoside triphosphate hydrolase [42-197]
Type:
Protein
Mol. Mass.:
22514.81
Organism:
Homo sapiens (Human)
Description:
P36639
Residue:
156
Sequence:
MGASRLYTLVLVLQPQRVLLGMKKRGFGAGRWNGFGGKVQEGETIEDGARRELQEESGLTVDALHKVGQIVFEFVGEPELMDVHVFCTDSIQGTPVESDEMRPCWFQLDQIPFKDMWPDDSYWFPLLLQKKKFHGYFKFQGQDTILDYTLREVDTV
  
Inhibitor
Name:
BDBM50548109
Synonyms:
CHEMBL4783492
Type:
Small organic molecule
Emp. Form.:
C19H17ClFN3O3
Mol. Mass.:
389.808
SMILES:
CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccc(Cl)cc1F
Structure:
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