Reaction Details Report a problem with these data
Target
Ectonucleoside triphosphate diphosphohydrolase 1
Ligand
BDBM50276787
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:
BDBM50276787
Synonyms:
CHEMBL4173693
Type:
Small organic molecule
Emp. Form.:
C31H24F3N
Mol. Mass.:
467.5242
SMILES:
Cc1ccc(cc1)-c1cccc2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c(nc12)C(F)(F)F
Structure:
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