BindingDB logo
myBDB logout

There are 81 purchasable compounds for target: Ankyrin-like with transmembrane domains protein 1

Wt: 154.5
BDBM7873
Purchase
Wt: 462.6
BDBM22987
Purchase
Wt: 338.4
BDBM26739
Purchase
Wt: 346.4
BDBM26741
Purchase
Wt: 334.4
BDBM34230
Purchase
Wt: 152.2
BDBM36263
Purchase
Wt: 232.3
BDBM61009
Purchase
Wt: 162.2
BDBM82070
Purchase
Wt: 56.0
BDBM50010912
Purchase
Wt: 358.5
BDBM50034278
Purchase
Wt: 296.5
BDBM50058655
Purchase
Wt: 207.2
BDBM161012
Purchase
Wt: 207.2
BDBM161021
Purchase
Wt: 372.8
BDBM50133817
Purchase
Wt: 295.4
BDBM50174225
Purchase
Displayed 1 to 15 (of 81 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 7873,22987,26739,26741,34230,36263,61009,82070,50010912,50034278,50058655,161012,161021,50133817,50174225   
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))
BDBM161012
PNG
(US9108905, 1 | US9186360, 89)
Show SMILES CC\C(=N/O)\C(\C)=C\c1ccc(F)cc1
Show InChI InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 74n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...


Citation and Details
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
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM161012
PNG
(US9108905, 1 | US9186360, 89)
Show SMILES CC\C(=N/O)\C(\C)=C\c1ccc(F)cc1
Show InChI InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 98.4n/an/an/an/an/an/a



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM26741
PNG
(N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carbo...)
Show SMILES O=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C21H22N4O/c26-21(23-18-7-2-1-3-8-18)25-14-12-24(13-15-25)16-19-11-10-17-6-4-5-9-20(17)22-19/h1-11H,12-16H2,(H,23,26)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as decrease in intracellular calcium level


Bioorg Med Chem Lett 19: 6806-9 (2009)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 4.50E+3n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as decrease in intracellular calcium level


Bioorg Med Chem Lett 19: 6806-9 (2009)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM22987
PNG
((5Z,8Z,11Z,14Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethy...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C30H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)31-23-22-26-25-32-29-21-20-27(33)24-28(26)29/h6-7,9-10,12-13,15-16,20-21,24-25,32-33H,2-5,8,11,14,17-19,22-23H2,1H3,(H,31,34)/b7-6-,10-9-,13-12-,16-15-
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as decrease in intracellular calcium level


Bioorg Med Chem Lett 19: 6806-9 (2009)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM7873
PNG
(2-chloro-1-phenylethan-1-one | CHEMBL105712 | Halo...)
Show SMILES ClCC(=O)c1ccccc1
Show InChI InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as concentration required to incapacitate 50% of the population exposed to t...


J Med Chem 53: 7011-20 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM7873
PNG
(2-chloro-1-phenylethan-1-one | CHEMBL105712 | Halo...)
Show SMILES ClCC(=O)c1ccccc1
Show InChI InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 30n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)

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
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM36263
PNG
((+)-camphor)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2
Show InChI InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 6.60E+5n/an/an/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPA1 channel assessed as inhibition of mustard oil-induced currents


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM36263
PNG
((+)-camphor)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2
Show InChI InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 4.00E+5n/an/an/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 channel assessed as inhibition of thymol-induced response


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50010912
PNG
(CHEMBL721 | acrolein | acrylaldehyde)
Show InChI InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Activation of TRPA1


Nature 445: 541-545 (2007)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50034278
PNG
(2-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienyls...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CSc1ccccc1C(O)=O
Show InChI InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



Ferrara University

Curated by ChEMBL


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


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50174225
PNG
(((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienylsul...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CSCC([O-])=O
Show InChI InChI=1S/C17H28O2S/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-20-13-17(18)19/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)/p-1/b15-9+,16-11+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9.00E+4n/an/an/an/a



Ferrara University

Curated by ChEMBL


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


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50058655
PNG
(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 3.00E+3n/an/an/an/a



Ferrara University

Curated by ChEMBL


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


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM61009
PNG
((1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetra...)
Show SMILES C[C@]12C[C@@]1(C=O)C(C=O)=C[C@@H]1CC(C)(C)C[C@H]21
Show InChI InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 590n/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)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.70E+4n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of TRPA1 channel


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50010912
PNG
(CHEMBL721 | acrolein | acrylaldehyde)
Show InChI InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 800n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of TRPA1 channel


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM34230
PNG
((Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-ke...)
Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12?/t16-,17-,18+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.40E+4n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of TRPA1 channel


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM161021
PNG
(US9108905, 10)
Show SMILES CC\C(=N\O)\C(\C)=C\c1ccc(F)cc1
Show InChI InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12-
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 701n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...


Citation and Details
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 7 hits for monomerid = 7873,22987,26739,26741,34230,36263,61009,82070,50010912,50034278,50058655,161012,161021,50133817,50174225
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM36271
JPEG
BDBM36263
JPEG
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-6.40-3.79-2.614.707.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM36272
JPEG
BDBM36263
JPEG
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-5.82-2.60-3.224.277.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM11
JPEG
BDBM36263
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-5.34-2.04-3.303.927.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM36267
JPEG
BDBM36263
JPEG
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-5.64-2.62-3.024.147.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM36268
JPEG
BDBM36263
JPEG
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-5.58-2.43-3.154.097.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM36269
JPEG
BDBM36263
JPEG
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-6.17-3.68-2.494.537.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM36270
JPEG
BDBM36263
JPEG
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-5.95-2.64-3.314.367.2025



Nankai University





J Org Chem 69: 173-80 (2004)