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SMILES: CCc1ccc(OCCNC(=O)c2ccccc2SCc2ccc(F)cc2)cc1

InChI Key: InChIKey=KRJGFSYZMVBTTC-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 44025   
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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM44025
PNG
(MLS000577152 | N-[2-(4-ethylphenoxy)ethyl]-2-[(4-f...)
Show SMILES CCc1ccc(OCCNC(=O)c2ccccc2SCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H24FNO2S/c1-2-18-9-13-21(14-10-18)28-16-15-26-24(27)22-5-3-4-6-23(22)29-17-19-7-11-20(25)12-8-19/h3-14H,2,15-17H2,1H3,(H,26,27)
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PC cid
PC sid
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PCBioAssay
n/an/an/an/a 1.38E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TX3CSC
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM44025
PNG
(MLS000577152 | N-[2-(4-ethylphenoxy)ethyl]-2-[(4-f...)
Show SMILES CCc1ccc(OCCNC(=O)c2ccccc2SCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H24FNO2S/c1-2-18-9-13-21(14-10-18)28-16-15-26-24(27)22-5-3-4-6-23(22)29-17-19-7-11-20(25)12-8-19/h3-14H,2,15-17H2,1H3,(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 304n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair