| Reaction Details |
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 | Report a problem with these data |
| Target | Ectonucleoside triphosphate diphosphohydrolase 2 |
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| Ligand | BDBM50179360 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_1716385 |
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| IC50 | 24100±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 2 |
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| Name: | Ectonucleoside triphosphate diphosphohydrolase 2 |
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| Synonyms: | CD39L1 | ENTP2_HUMAN | ENTPD2 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 53675.44 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1453714 |
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| Residue: | 495 |
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| Sequence: | MAGKVRSLLPPLLLAAAGLAGLLLLCVPTRDVREPPALKYGIVLDAGSSHTSMFIYKWPA
DKENDTGIVGQHSSCDVPGGGISSYADNPSGASQSLVGCLEQALQDVPKERHAGTPLYLG
ATAGMRLLNLTNPEASTSVLMAVTHTLTQYPFDFRGARILSGQEEGVFGWVTANYLLENF
IKYGWVGRWFRPRKGTLGAMDLGGASTQITFETTSPAEDRASEVQLHLYGQHYRVYTHSF
LCYGRDQVLQRLLASALQTHGFHPCWPRGFSTQVLLGDVYQSPCTMAQRPQNFNSSARVS
LSGSSDPHLCRDLVSGLFSFSSCPFSRCSFNGVFQPPVAGNFVAFSAFFYTVDFLRTSMG
LPVATLQQLEAAAVNVCNQTWAQLQARVPGQRARLADYCAGAMFVQQLLSRGYGFDERAF
GGVIFQKKAADTAVGWALGYMLNLTNLIPADPPGLRKGTDFSSWVVLLLLFASALLAALV
LLLRQVHSAKLPSTI
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| BDBM50179360 |
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| n/a |
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| Name | BDBM50179360 |
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| Synonyms: | CHEMBL3040216 |
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| Type | Small organic molecule |
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| Emp. Form. | C51H40N6O23S6 |
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| Mol. Mass. | 1297.28 |
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| SMILES | CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| |
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| Structure | 
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