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Target
Ectonucleoside triphosphate diphosphohydrolase 1
Ligand
BDBM50276791
Substrate
n/a
Meas. Tech.
ChEBML_1716384
IC50
>300000±n/a nM
Citation
 Kuhrt, D; Ejaz, SA; Afzal, S; Khan, SU; Lecka, J; Sévigny, J; Ehlers, P; Spannenberg, A; Iqbal, J; Langer, P Chemoselective synthesis and biological evaluation of arylated 2-(Trifluoromethyl) quinolines as nucleotide pyrophosphatase (NPPs) inhibitors. Eur J Med Chem 138:816-829 (2017) [PubMed]  Article
Target
Name:
Ectonucleoside triphosphate diphosphohydrolase 1
Synonyms:
CD39 | ENTP1_HUMAN | ENTPD1
Type:
PROTEIN
Mol. Mass.:
57962.31
Organism:
Homo sapiens (Human)
Description:
ChEMBL_612638
Residue:
510
Sequence:
MEDTKESNVKTFCSKNILAILGFSSIIAVIALLAVGLTQNKALPENVKYGIVLDAGSSHTSLYIYKWPAEKENDTGVVHQVEECRVKGPGISKFVQKVNEIGIYLTDCMERAREVIPRSQHQETPVYLGATAGMRLLRMESEELADRVLDVVERSLSNYPFDFQGARIITGQEEGAYGWITINYLLGKFSQKTRWFSIVPYETNNQETFGALDLGGASTQVTFVPQNQTIESPDNALQFRLYGKDYNVYTHSFLCYGKDQALWQKLAKDIQVASNEILRDPCFHPGYKKVVNVSDLYKTPCTKRFEMTLPFQQFEIQGIGNYQQCHQSILELFNTSYCPYSQCAFNGIFLPPLQGDFGAFSAFYFVMKFLNLTSEKVSQEKVTEMMKKFCAQPWEEIKTSYAGVKEKYLSEYCFSGTYILSLLLQGYHFTADSWEHIHFIGKIQGSDAGWTLGYMLNLTNMIPAEQPLSTPLSHSTYVFLMVLFSLVLFTVAIIGLLIFHKPSYFWKDMV
  
Inhibitor
Name:
BDBM50276791
Synonyms:
CHEMBL4164891
Type:
Small organic molecule
Emp. Form.:
C17H7BrClF3N2
Mol. Mass.:
411.603
SMILES:
FC(F)(F)c1nc2c(cccc2c(Cl)c1Br)-c1cccc(c1)C#N
Structure:
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