Reaction Details Report a problem with these data
Target
High affinity choline transporter 1
Ligand
BDBM87575
Substrate
n/a
Meas. Tech.
JHICC_CHT_Inh_3H uptake_CRC
IC50
302.586456±n/a nM
Citation
 PubChem, PC JHICC_CHT_Inh_3H uptake_CRC PubChem Bioassay (2012)[AID] 
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:
BDBM87575
Synonyms:
MLS001126544 | N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-benzamide | N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide | N-[(4,5-dimethyl-2-thiazolyl)methyl]-4-methoxy-3-[(1-propan-2-yl-4-piperidinyl)oxy]benzamide | N-[(4,5-dimethylthiazol-2-yl)methyl]-3-[(1-isopropyl-4-piperidyl)oxy]-4-methoxy-benzamide | SMR000658870 | cid_24793288
Type:
Small organic molecule
Emp. Form.:
C22H31N3O3S
Mol. Mass.:
417.565
SMILES:
COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1nc(C)c(C)s1
Structure:
Search PDB for entries with ligand similarity: