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Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'steiger' and Initial = 'd'   
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 M member 8


(Homo sapiens (Human))
BDBM50331290
PNG
(CHEMBL1289953 | N-(3-aminopropyl)-2-(3-methylbenzy...)
Show SMILES Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2cccs2)c1
Show InChI InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3
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n/an/a 160n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of menthol-induced 45calcium influx treated 5 m...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50331290
PNG
(CHEMBL1289953 | N-(3-aminopropyl)-2-(3-methylbenzy...)
Show SMILES Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2cccs2)c1
Show InChI InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3
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n/an/a 190n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of icilin-induced 45calcium influx treated 5 mi...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM82302
PNG
(5-BENZYLOXYTRYPTAMINE | 5-BZT | CAS_20776-45-8 | C...)
Show SMILES NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
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n/an/a 340n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of menthol-induced 45calcium influx treated 5 m...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM82302
PNG
(5-BENZYLOXYTRYPTAMINE | 5-BZT | CAS_20776-45-8 | C...)
Show SMILES NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
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n/an/a 660n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of icilin-induced 45calcium influx treated 5 mi...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50331285
PNG
(2-(5-(benzyloxy)-2-methyl-1H-indol-3-yl)ethanamine...)
Show SMILES Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCN
Show InChI InChI=1S/C18H20N2O/c1-13-16(9-10-19)17-11-15(7-8-18(17)20-13)21-12-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12,19H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of menthol-induced 45calcium influx treated 5 m...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50331285
PNG
(2-(5-(benzyloxy)-2-methyl-1H-indol-3-yl)ethanamine...)
Show SMILES Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCN
Show InChI InChI=1S/C18H20N2O/c1-13-16(9-10-19)17-11-15(7-8-18(17)20-13)21-12-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12,19H2,1H3
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n/an/a 2.36E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of icilin-induced 45calcium influx treated 5 mi...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50305208
PNG
(3-Methyl-4-phenylbut-3-en-2-one oxime | CHEMBL6037...)
Show SMILES CC(N=O)C(C)=Cc1ccccc1 |w:6.6|
Show InChI InChI=1S/C11H13NO/c1-9(10(2)12-13)8-11-6-4-3-5-7-11/h3-8,10H,1-2H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count


Bioorg Med Chem Lett 20: 276-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.113
BindingDB Entry DOI: 10.7270/Q2K074C4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50305207
PNG
(4-(4-chlorophenyl)-3-methylbut-3-en-2-one oxime | ...)
Show SMILES CC(N=O)C(C)=Cc1ccc(Cl)cc1 |w:6.6|
Show InChI InChI=1S/C11H12ClNO/c1-8(9(2)13-14)7-10-3-5-11(12)6-4-10/h3-7,9H,1-2H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count


Bioorg Med Chem Lett 20: 276-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.113
BindingDB Entry DOI: 10.7270/Q2K074C4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50247069
PNG
(2-(7-(benzyloxy)-1H-indol-3-yl)ethanamine | CHEMBL...)
Show SMILES NCCc1c[nH]c2c(OCc3ccccc3)cccc12
Show InChI InChI=1S/C17H18N2O/c18-10-9-14-11-19-17-15(14)7-4-8-16(17)20-12-13-5-2-1-3-6-13/h1-8,11,19H,9-10,12,18H2
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n/an/a 3.34E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of menthol-induced 45calcium influx treated 5 m...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50054758
PNG
(CHEMBL357130 | [2-(5-Benzyloxy-1H-indol-3-yl)-ethy...)
Show SMILES CN(C)CCc1c[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C19H22N2O/c1-21(2)11-10-16-13-20-19-9-8-17(12-18(16)19)22-14-15-6-4-3-5-7-15/h3-9,12-13,20H,10-11,14H2,1-2H3
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n/an/a 5.63E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of menthol-induced 45calcium influx treated 5 m...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50054758
PNG
(CHEMBL357130 | [2-(5-Benzyloxy-1H-indol-3-yl)-ethy...)
Show SMILES CN(C)CCc1c[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C19H22N2O/c1-21(2)11-10-16-13-20-19-9-8-17(12-18(16)19)22-14-15-6-4-3-5-7-15/h3-9,12-13,20H,10-11,14H2,1-2H3
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n/an/a 5.96E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of icilin-induced 45calcium influx treated 5 mi...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50247069
PNG
(2-(7-(benzyloxy)-1H-indol-3-yl)ethanamine | CHEMBL...)
Show SMILES NCCc1c[nH]c2c(OCc3ccccc3)cccc12
Show InChI InChI=1S/C17H18N2O/c18-10-9-14-11-19-17-15(14)7-4-8-16(17)20-12-13-5-2-1-3-6-13/h1-8,11,19H,9-10,12,18H2
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n/an/a 8.93E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of icilin-induced 45calcium influx treated 5 mi...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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n/an/a 1.16E+4n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of icilin-induced 45calcium influx treated 5 mi...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM30853
PNG
(2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...)
Show SMILES NCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/a 1.23E+4n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of menthol-induced 45calcium influx treated 5 m...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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n/an/a 1.24E+4n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of menthol-induced 45calcium influx treated 5 m...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM30853
PNG
(2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...)
Show SMILES NCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/a 1.31E+4n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of icilin-induced 45calcium influx treated 5 mi...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50331286
PNG
(2-(5-chloro-1H-indol-3-yl)ethanamine | 5-Cl-T | CH...)
Show SMILES NCCc1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/a 2.15E+4n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of menthol-induced 45calcium influx treated 5 m...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50331287
PNG
(CHEMBL1289952 | ethyl 2-(5-(benzyloxy)-1H-indol-3-...)
Show SMILES CCOC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C20H22N2O3/c1-2-24-20(23)21-11-10-16-13-22-19-9-8-17(12-18(16)19)25-14-15-6-4-3-5-7-15/h3-9,12-13,22H,2,10-11,14H2,1H3,(H,21,23)
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n/an/a 2.16E+4n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of menthol-induced 45calcium influx treated 5 m...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50331288
PNG
(2-(5-bromo-1H-indol-3-yl)ethanamine | 5-Br-T | CHE...)
Show SMILES NCCc1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C10H11BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/a 2.27E+4n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of menthol-induced 45calcium influx treated 5 m...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50331287
PNG
(CHEMBL1289952 | ethyl 2-(5-(benzyloxy)-1H-indol-3-...)
Show SMILES CCOC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C20H22N2O3/c1-2-24-20(23)21-11-10-16-13-22-19-9-8-17(12-18(16)19)25-14-15-6-4-3-5-7-15/h3-9,12-13,22H,2,10-11,14H2,1H3,(H,21,23)
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n/an/a 2.88E+4n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of icilin-induced 45calcium influx treated 5 mi...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50331288
PNG
(2-(5-bromo-1H-indol-3-yl)ethanamine | 5-Br-T | CHE...)
Show SMILES NCCc1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C10H11BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/a 3.04E+4n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of icilin-induced 45calcium influx treated 5 mi...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50331286
PNG
(2-(5-chloro-1H-indol-3-yl)ethanamine | 5-Cl-T | CH...)
Show SMILES NCCc1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/a 3.22E+4n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of icilin-induced 45calcium influx treated 5 mi...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50305199
PNG
(3-Methyl-4-m-tolyl-but-3-en-2-one oxime | CHEMBL58...)
Show SMILES CC(N=O)C(C)=Cc1cccc(C)c1 |w:6.6|
Show InChI InChI=1S/C12H15NO/c1-9-5-4-6-12(7-9)8-10(2)11(3)13-14/h4-8,11H,1-3H3
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n/an/an/an/a 1.44E+4n/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count


Bioorg Med Chem Lett 20: 276-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.113
BindingDB Entry DOI: 10.7270/Q2K074C4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50305205
PNG
(3-[4-(Dimethylamino)phenyl]acrylaldehyde oxime | C...)
Show SMILES CN(C)c1ccc(C=CCN=O)cc1 |w:7.6|
Show InChI InChI=1S/C11H14N2O/c1-13(2)11-7-5-10(6-8-11)4-3-9-12-14/h3-8H,9H2,1-2H3
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n/an/an/an/a 1.59E+4n/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count


Bioorg Med Chem Lett 20: 276-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.113
BindingDB Entry DOI: 10.7270/Q2K074C4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50305202
PNG
(CHEMBL589873 | alpha-Methylcinnamaldoxime)
Show SMILES CC(CN=O)=Cc1ccc(Cl)cc1 |w:5.5|
Show InChI InChI=1S/C10H10ClNO/c1-8(7-12-13)6-9-2-4-10(11)5-3-9/h2-6H,7H2,1H3
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n/an/an/an/a 6.94E+4n/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count


Bioorg Med Chem Lett 20: 276-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.113
BindingDB Entry DOI: 10.7270/Q2K074C4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50305201
PNG
((1Z,2E)-3-(4-chlorophenyl)acrylaldehyde oxime | CH...)
Show SMILES Clc1ccc(C=CCN=O)cc1 |w:5.4|
Show InChI InChI=1S/C9H8ClNO/c10-9-5-3-8(4-6-9)2-1-7-11-12/h1-6H,7H2
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n/an/an/an/a 9.40E+3n/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count


Bioorg Med Chem Lett 20: 276-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.113
BindingDB Entry DOI: 10.7270/Q2K074C4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50305200
PNG
(3-Buten-2-one, 4-(4-chlorophenyl)-, oxime(2E, 3E) ...)
Show SMILES CC(C=Cc1ccc(Cl)cc1)N=O |w:3.3|
Show InChI InChI=1S/C10H10ClNO/c1-8(12-13)2-3-9-4-6-10(11)7-5-9/h2-8H,1H3
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n/an/an/an/a 2.76E+4n/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count


Bioorg Med Chem Lett 20: 276-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.113
BindingDB Entry DOI: 10.7270/Q2K074C4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50305206
PNG
(4-(Benzo[d][1,3]-dioxol-5-yl)-3-beuten-2-one oxime...)
Show SMILES CC(C=Cc1ccc2OCOc2c1)N=O |w:3.3|
Show InChI InChI=1S/C11H11NO3/c1-8(12-13)2-3-9-4-5-10-11(6-9)15-7-14-10/h2-6,8H,7H2,1H3
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n/an/an/an/a 1.15E+4n/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count


Bioorg Med Chem Lett 20: 276-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.113
BindingDB Entry DOI: 10.7270/Q2K074C4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50305204
PNG
((2E,3E)-4-(3-chlorophenyl)but-3-en-2-one oxime | C...)
Show SMILES CC(C=Cc1cccc(Cl)c1)N=O |w:3.3|
Show InChI InChI=1S/C10H10ClNO/c1-8(12-13)5-6-9-3-2-4-10(11)7-9/h2-8H,1H3
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n/an/an/an/a 6.31E+4n/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count


Bioorg Med Chem Lett 20: 276-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.113
BindingDB Entry DOI: 10.7270/Q2K074C4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50203065
PNG
(3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...)
Show SMILES O=C\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
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n/an/an/an/a 5.14E+4n/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count


Bioorg Med Chem Lett 20: 276-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.113
BindingDB Entry DOI: 10.7270/Q2K074C4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50305198
PNG
(4-(4-Methoxy-phenyl)-3-methyl-but-3-en-2-one oxime...)
Show SMILES COc1ccc(C=C(C)C(C)N=O)cc1 |w:6.5|
Show InChI InChI=1S/C12H15NO2/c1-9(10(2)13-14)8-11-4-6-12(15-3)7-5-11/h4-8,10H,1-3H3
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n/an/an/an/a 4.61E+4n/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count


Bioorg Med Chem Lett 20: 276-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.113
BindingDB Entry DOI: 10.7270/Q2K074C4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50305203
PNG
(4-Phenyl-but-3-en-2-one oxime | CHEMBL589794)
Show SMILES CC(C=Cc1ccccc1)N=O |w:3.3|
Show InChI InChI=1S/C10H11NO/c1-9(11-12)7-8-10-5-3-2-4-6-10/h2-9H,1H3
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n/an/an/an/a 9.66E+4n/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count


Bioorg Med Chem Lett 20: 276-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.113
BindingDB Entry DOI: 10.7270/Q2K074C4
More data for this
Ligand-Target Pair