Reaction Details Report a problem with these data
Target
Neuroepithelial cell-transforming gene 1 protein
Ligand
BDBM433682
Substrate
n/a
Meas. Tech.
Functional Uptake Assay (hNET)
IC50
18.0±n/a nM
Citation
 Shao, L; Wang, F; Malcolm, SC; Hewitt, MC; Bush, LR; Ma, J; Varney, MA; Campbell, U; Engel, SR; Hardy, LW; Koch, P; Campell, JE Cycloalkylamines as monoamine reuptake inhibitors US Patent  US10562878 Publication Date 2/18/2020 
Target
Name:
Neuroepithelial cell-transforming gene 1 protein
Synonyms:
ARHG8_HUMAN | ARHGEF8 | NET1 | Proto-oncogene p65 Net1 | Rho guanine nucleotide exchange factor 8
Type:
PROTEIN
Mol. Mass.:
67762.41
Organism:
Homo sapiens
Description:
ChEMBL_118125
Residue:
596
Sequence:
MEPELAAQKQPRPRRRSRRASGLSTEGATGPSADTSGSELDGRCSLRRGSSFTFLTPGPNWDFTLKRKRREKDDDVVSLSSLDLKEPSNKRVRPLARVTSLANLISPVRNGAVRRFGQTIQSFTLRGDHRSPASAQKFSSRSTVPTPAKRRSSALWSEMLDITMKESLTTREIRRQEAIYEMSRGEQDLIEDLKLARKAYHDPMLKLSIMSEEELTHIFGDLDSYIPLHEDLLTRIGEATKPDGTVEQIGHILVSWLPRLNAYRGYCSNQLAAKALLDQKKQDPRVQDFLQRCLESPFSRKLDLWSFLDIPRSRLVKYPLLLKEILKHTPKEHPDVQLLEDAILIIQGVLSDINLKKGESECQYYIDKLEYLDEKQRDPRIEASKVLLCHGELRSKSGHKLYIFLFQDILVLTRPVTRNERHSYQVYRQPIPVQELVLEDLQDGDVRMGGSFRGAFSNSEKAKNIFRIRFHDPSPAQSHTLQANDVFHKQQWFNCIRAAIAPFQSAGSPPELQGLPELHEECEGNHPSARKLTAQRRASTVSSVTQVEVDENAYRCGSGMQMAEDSKSLKTHQTQPGIRRARDKALSGGKRKETLV
  
Inhibitor
Name:
BDBM433682
Synonyms:
US10562878, Compound 263 | US10562878, Compound 288
Type:
Small organic molecule
Emp. Form.:
C15H21Cl2NO
Mol. Mass.:
302.239
SMILES:
CN(C)CC1(CCC(O)CC1)c1ccc(Cl)c(Cl)c1 |(2.1,-8.48,;1.11,-7.3,;-.41,-7.56,;1.64,-5.85,;.65,-4.67,;-.34,-5.85,;-1.86,-5.58,;-2.39,-4.13,;-3.9,-3.87,;-1.4,-2.95,;.12,-3.22,;1.98,-3.9,;3.31,-4.67,;4.65,-3.9,;4.65,-2.36,;5.98,-1.59,;3.31,-1.59,;3.31,-.05,;1.98,-2.36,)|
Structure:
Search PDB for entries with ligand similarity: