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BDBM87580 3-(benzylsulfamoyl)-N-(4-methylcyclohexyl)benzamide::MLS001071700::N-(4-methylcyclohexyl)-3-[(phenylmethyl)sulfamoyl]benzamide::SMR000710522::cid_18106490

SMILES: CC1CCC(CC1)NC(=O)c1cccc(c1)S(=O)(=O)NCc1ccccc1

InChI Key: InChIKey=RJUHMHJENWNPBW-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 87580   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
High-affinity choline transporter


(Homo sapiens (Human))
BDBM87580
PNG
(3-(benzylsulfamoyl)-N-(4-methylcyclohexyl)benzamid...)
Show 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,)|
Show InChI InChI=1S/C21H26N2O3S/c1-16-10-12-19(13-11-16)23-21(24)18-8-5-9-20(14-18)27(25,26)22-15-17-6-3-2-4-7-17/h2-9,14,16,19,22H,10-13,15H2,1H3,(H,23,24)
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 8.42E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.08.011
More data for this
Ligand-Target Pair