Reaction Details Report a problem with these data
Target
Ectonucleoside triphosphate diphosphohydrolase 3
Ligand
BDBM50276788
Substrate
n/a
Meas. Tech.
ChEBML_1716386
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 3
Synonyms:
CD39L3 | ENTP3_HUMAN | ENTPD3
Type:
PROTEIN
Mol. Mass.:
59103.51
Organism:
Homo sapiens (Human)
Description:
ChEMBL_612642
Residue:
529
Sequence:
MFTVLTRQPCEQAGLKALYRTPTIIALVVLLVSIVVLVSITVIQIHKQEVLPPGLKYGIVLDAGSSRTTVYVYQWPAEKENNTGVVSQTFKCSVKGSGISSYGNNPQDVPRAFEECMQKVKGQVPSHLHGSTPIHLGATAGMRLLRLQNETAANEVLESIQSYFKSQPFDFRGAQIISGQEEGVYGWITANYLMGNFLEKNLWHMWVHPHGVETTGALDLGGASTQISFVAGEKMDLNTSDIMQVSLYGYVYTLYTHSFQCYGRNEAEKKFLAMLLQNSPTKNHLTNPCYPRDYSISFTMGHVFDSLCTVDQRPESYNPNDVITFEGTGDPSLCKEKVASIFDFKACHDQETCSFDGVYQPKIKGPFVAFAGFYYTASALNLSGSFSLDTFNSSTWNFCSQNWSQLPLLLPKFDEVYARSYCFSANYIYHLFVNGYKFTEETWPQIHFEKEVGNSSIAWSLGYMLSLTNQIPAESPLIRLPIEPPVFVGTLAFFTAAALLCLAFLAYLCSATRRKRHSEHAFDHAVDSD
  
Inhibitor
Name:
BDBM50276788
Synonyms:
CHEMBL4162261
Type:
Small organic molecule
Emp. Form.:
C18H12BrClF3NO2
Mol. Mass.:
446.646
SMILES:
COc1ccc(OC)c(c1)-c1cccc2c(Cl)c(Br)c(nc12)C(F)(F)F
Structure:
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