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Target
Ectonucleoside triphosphate diphosphohydrolase 1
Ligand
BDBM50527134
Substrate
n/a
Meas. Tech.
ChEMBL_2015113 (CHEMBL4668691)
IC50
>10.0±n/a nM
Citation
 Lawson, KV; Kalisiak, J; Lindsey, EA; Newcomb, ET; Leleti, MR; Debien, L; Rosen, BR; Miles, DH; Sharif, EU; Jeffrey, JL; Tan, JBL; Chen, A; Zhao, S; Xu, G; Fu, L; Jin, L; Park, TW; Berry, W; Moschütz, S; Scaletti, E; Sträter, N; Walker, NP; Young, SW; Walters, MJ; Schindler, U; Powers, JP Discovery of AB680: A Potent and Selective Inhibitor of CD73. J Med Chem 63:11448-11468 (2020) [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:
BDBM50527134
Synonyms:
CHEMBL4471306 | US20230295213, Compound a
Type:
Small organic molecule
Emp. Form.:
C20H24ClFN4O9P2
Mol. Mass.:
580.825
SMILES:
C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1F |r|
Structure:
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