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Compile Data Set for Download or QSAR

Found 5 hits of ec50 for monomerid = 26739   
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
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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Article
PubMed
n/an/an/an/a 2.45E+4n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at GDH-tagged human TRPA1 receptor expressed in HEK293F cells assessed as increase in intracellular Ca2+ concentration by FLIPR assa...


Eur J Med Chem 63: 118-32 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.005
BindingDB Entry DOI: 10.7270/Q2K64KFB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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Article
PubMed
n/an/an/an/a 2.45E+4n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as increase in intracellular calcium influx


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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Article
PubMed
n/an/an/an/a 1.35E+8n/an/an/an/a



University of Hull

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay


Eur J Med Chem 170: 141-156 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.074
BindingDB Entry DOI: 10.7270/Q2F76GWS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
PDB

KEGG

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CHEMBL
MCE
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Article
PubMed
n/an/an/an/a 2.45E+4n/an/an/an/a



University of Hull

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293F cells assessed as increase in calcium influx by FLIPR analysis


Eur J Med Chem 170: 141-156 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.074
BindingDB Entry DOI: 10.7270/Q2F76GWS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.34E+8n/an/an/an/a



University of Hull

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay


Eur J Med Chem 170: 141-156 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.074
BindingDB Entry DOI: 10.7270/Q2F76GWS
More data for this
Ligand-Target Pair