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PubMed code 26905390

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50284267
PNG
(Boropinal)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6]=O)ccc1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C15H18O3/c1-12(2)8-10-18-14-7-6-13(5-4-9-16)11-15(14)17-3/h4-9,11H,10H2,1-3H3/b5-4+
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Article
PubMed
n/an/an/an/a 9.80E+3n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysis


J Nat Prod 79: 697-703 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00396
BindingDB Entry DOI: 10.7270/Q2WQ078D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM24777
PNG
(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...)
Show SMILES Oc1cccc2C(=O)C=CC(=O)c12 |c:8|
Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
PDB

KEGG

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antibodypedia
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CHEMBL
MCE
KEGG
MMDB
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PC sid
PDB
UniChem

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Article
PubMed
n/an/an/an/a 1.70E+3n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysis


J Nat Prod 79: 697-703 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00396
BindingDB Entry DOI: 10.7270/Q2WQ078D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50203072
PNG
(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
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CHEMBL
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Article
PubMed
n/an/an/an/a 3.90E+3n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysis


J Nat Prod 79: 697-703 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00396
BindingDB Entry DOI: 10.7270/Q2WQ078D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50012070
PNG
(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O |t:1|
Show InChI InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/an/an/a 460n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysis


J Nat Prod 79: 697-703 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00396
BindingDB Entry DOI: 10.7270/Q2WQ078D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM24777
PNG
(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...)
Show SMILES Oc1cccc2C(=O)C=CC(=O)c12 |c:8|
Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.70E+3n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysis


J Nat Prod 79: 697-703 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00396
BindingDB Entry DOI: 10.7270/Q2WQ078D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50203072
PNG
(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 3.90E+3n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysis


J Nat Prod 79: 697-703 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00396
BindingDB Entry DOI: 10.7270/Q2WQ078D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50284267
PNG
(Boropinal)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6]=O)ccc1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C15H18O3/c1-12(2)8-10-18-14-7-6-13(5-4-9-16)11-15(14)17-3/h4-9,11H,10H2,1-3H3/b5-4+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.80E+3n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysis


J Nat Prod 79: 697-703 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00396
BindingDB Entry DOI: 10.7270/Q2WQ078D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50012070
PNG
(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O |t:1|
Show InChI InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 460n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysis


J Nat Prod 79: 697-703 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00396
BindingDB Entry DOI: 10.7270/Q2WQ078D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%