Reaction Details Report a problem with these data
Target
High affinity choline transporter 1
Ligand
BDBM87580
Substrate
n/a
Meas. Tech.
JHICC_CHT_Inh_3H uptake_CRC
IC50
8421.798897±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:
BDBM87580
Synonyms:
3-(benzylsulfamoyl)-N-(4-methylcyclohexyl)benzamide | MLS001071700 | N-(4-methylcyclohexyl)-3-[(phenylmethyl)sulfamoyl]benzamide | SMR000710522 | cid_18106490
Type:
Small organic molecule
Emp. Form.:
C21H26N2O3S
Mol. Mass.:
386.508
SMILES:
CC1CCC(CC1)NC(=O)c1cccc(c1)S(=O)(=O)NCc1ccccc1 |(3.08,-8.09,;4.41,-7.32,;4.41,-5.78,;5.75,-5.01,;7.08,-5.78,;7.08,-7.32,;5.75,-8.09,;8.41,-5.01,;8.41,-3.47,;7.08,-2.7,;9.75,-2.7,;11.08,-3.47,;12.42,-2.7,;12.42,-1.16,;11.08,-.39,;9.75,-1.16,;11.08,1.16,;12.62,1.16,;9.54,1.16,;11.08,2.7,;12.42,3.47,;12.42,5.01,;11.08,5.78,;11.08,7.32,;12.42,8.09,;13.75,7.32,;13.75,5.78,)|
Structure:
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