Reaction Details Report a problem with these data
Target
Oxidized purine nucleoside triphosphate hydrolase
Ligand
BDBM50152122
Substrate
n/a
Meas. Tech.
ChEMBL_1565685 (CHEMBL3782419)
IC50
850±n/a nM
Citation
 Petrocchi, A; Leo, E; Reyna, NJ; Hamilton, MM; Shi, X; Parker, CA; Mseeh, F; Bardenhagen, JP; Leonard, P; Cross, JB; Huang, S; Jiang, Y; Cardozo, M; Draetta, G; Marszalek, JR; Toniatti, C; Jones, P; Lewis, RT Identification of potent and selective MTH1 inhibitors. Bioorg Med Chem Lett 26:1503-7 (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:
BDBM50152122
Synonyms:
CHEMBL3780535
Type:
Small organic molecule
Emp. Form.:
C9H13N3O2
Mol. Mass.:
195.2184
SMILES:
Nc1nccc(OCC2(CO)CC2)n1
Structure:
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