Reaction Details |
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Target | Ectonucleoside triphosphate diphosphohydrolase 1 |
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Ligand | BDBM50268725 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_612638 (CHEMBL1065675) |
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Ki | 10700±n/a nM |
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Citation | Baqi, Y; Lee, SY; Iqbal, J; Ripphausen, P; Lehr, A; Scheiff, AB; Zimmermann, H; Bajorath, J; Müller, CE Development of potent and selective inhibitors of ecto-5'-nucleotidase based on an anthraquinone scaffold. J Med Chem53:2076-86 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Ectonucleoside triphosphate diphosphohydrolase 1 |
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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: | MEDTKESNVKTFCSKNILAILGFSSIIAVIALLAVGLTQNKALPENVKYGIVLDAGSSHT
SLYIYKWPAEKENDTGVVHQVEECRVKGPGISKFVQKVNEIGIYLTDCMERAREVIPRSQ
HQETPVYLGATAGMRLLRMESEELADRVLDVVERSLSNYPFDFQGARIITGQEEGAYGWI
TINYLLGKFSQKTRWFSIVPYETNNQETFGALDLGGASTQVTFVPQNQTIESPDNALQFR
LYGKDYNVYTHSFLCYGKDQALWQKLAKDIQVASNEILRDPCFHPGYKKVVNVSDLYKTP
CTKRFEMTLPFQQFEIQGIGNYQQCHQSILELFNTSYCPYSQCAFNGIFLPPLQGDFGAF
SAFYFVMKFLNLTSEKVSQEKVTEMMKKFCAQPWEEIKTSYAGVKEKYLSEYCFSGTYIL
SLLLQGYHFTADSWEHIHFIGKIQGSDAGWTLGYMLNLTNMIPAEQPLSTPLSHSTYVFL
MVLFSLVLFTVAIIGLLIFHKPSYFWKDMV
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BDBM50268725 |
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n/a |
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Name | BDBM50268725 |
Synonyms: | CHEMBL496030 | sodium 1-amino-4-(4-hydroxyphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate |
Type | Small organic molecule |
Emp. Form. | C20H13N2O6S |
Mol. Mass. | 409.393 |
SMILES | Nc1c(cc(Nc2ccc(O)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O |
Structure |
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