Reaction Details |
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Target | Ectonucleoside triphosphate diphosphohydrolase 1 |
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Ligand | BDBM50276791 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_1716384 |
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IC50 | >300000±n/a nM |
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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 Chem138:816-829 (2017) [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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BDBM50276791 |
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n/a |
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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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