Reaction Details Report a problem with these data
Target
High affinity choline transporter 1
Ligand
BDBM87577
Substrate
n/a
Meas. Tech.
ChEMBL_1464243 (CHEMBL3404110)
IC50
4470±n/a nM
Citation
 Bollinger, SR; Engers, DW; Ennis, EA; Wright, J; Locuson, CW; Lindsley, CW; Blakely, RD; Hopkins, CR Synthesis and structure-activity relationships of a series of 4-methoxy-3-(piperidin-4-yl)oxy benzamides as novel inhibitors of the presynaptic choline transporter. Bioorg Med Chem Lett 25:1757-60 (2015) [PubMed]  Article 
Target
Name:
High affinity choline transporter 1
Synonyms:
CHT1 | High-affinity choline transporter | SC5A7_HUMAN | SLC5A7 | high affinity choline transporter 1
Type:
PROTEIN
Mol. Mass.:
63194.33
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1464247
Residue:
580
Sequence:
MAFHVEGLIAIIVFYLLILLVGIWAAWRTKNSGSAEERSEAIIVGGRDIGLLVGGFTMTATWVGGGYINGTAEAVYVPGYGLAWAQAPIGYSLSLILGGLFFAKPMRSKGYVTMLDPFQQIYGKRMGGLLFIPALMGEMFWAAAIFSALGATISVIIDVDMHISVIISALIATLYTLVGGLYSVAYTDVVQLFCIFVGLWISVPFALSHPAVADIGFTAVHAKYQKPWLGTVDSSEVYSWLDSFLLLMLGGIPWQAYFQRVLSSSSATYAQVLSFLAAFGCLVMAIPAILIGAIGASTDWNQTAYGLPDPKTTEEADMILPIVLQYLCPVYISFFGLGAVSAAVMSSADSSILSASSMFARNIYQLSFRQNASDKEIVWVMRITVFVFGASATAMALLTKTVYGLWYLSSDLVYIVIFPQLLCVLFVKGTNTYGAVAGYVSGLFLRITGGEPYLYLQPLIFYPGYYPDDNGIYNQKFPFKTLAMVTSFLTNICISYLAKYLFESGTLPPKLDVFDAVVARHSEENMDKTILVKNENIKLDELALVKPRQSMTLSSTFTNKEAFLDVDSSPEGSGTEDNLQ
  
Inhibitor
Name:
BDBM87577
Synonyms:
3-[(1-isopropyl-4-piperidyl)oxy]-4-methoxy-N-(1-methyl-2-pyrazin-2-yl-ethyl)benzamide | 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-pyrazin-2-ylpropan-2-yl)benzamide | 4-methoxy-3-[(1-propan-2-yl-4-piperidinyl)oxy]-N-[1-(2-pyrazinyl)propan-2-yl]benzamide | MLS001105317 | SMR000659568 | cid_24793875
Type:
Small organic molecule
Emp. Form.:
C23H32N4O3
Mol. Mass.:
412.5252
SMILES:
COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC(C)Cc1cnccn1
Structure:
Search PDB for entries with ligand similarity: