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Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'fairman' and Initial = 'e'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50350947
PNG
(CHEMBL1818218)
Show SMILES CC(C)CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(CC2CCCOC2)CC1
Show InChI InChI=1S/C26H38N6O2/c1-20(2)15-27-24-23(25(33)28-16-21-7-4-3-5-8-21)17-29-26(30-24)32-12-10-31(11-13-32)18-22-9-6-14-34-19-22/h3-5,7-8,17,20,22H,6,9-16,18-19H2,1-2H3,(H,28,33)(H,27,29,30)
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n/an/a 580n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in human HEK293 cells by patch-clamp electrophysiology


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50350947
PNG
(CHEMBL1818218)
Show SMILES CC(C)CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(CC2CCCOC2)CC1
Show InChI InChI=1S/C26H38N6O2/c1-20(2)15-27-24-23(25(33)28-16-21-7-4-3-5-8-21)17-29-26(30-24)32-12-10-31(11-13-32)18-22-9-6-14-34-19-22/h3-5,7-8,17,20,22H,6,9-16,18-19H2,1-2H3,(H,28,33)(H,27,29,30)
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n/an/an/an/a 97n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescence ...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50350948
PNG
(CHEMBL1818217)
Show SMILES O=C(NCc1ccccc1)c1cnc(nc1NC1CC1)N1CCN(CC2CCCOC2)CC1
Show InChI InChI=1S/C25H34N6O2/c32-24(26-15-19-5-2-1-3-6-19)22-16-27-25(29-23(22)28-21-8-9-21)31-12-10-30(11-13-31)17-20-7-4-14-33-18-20/h1-3,5-6,16,20-21H,4,7-15,17-18H2,(H,26,32)(H,27,28,29)
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n/an/an/an/a 109n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescenc...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50350947
PNG
(CHEMBL1818218)
Show SMILES CC(C)CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(CC2CCCOC2)CC1
Show InChI InChI=1S/C26H38N6O2/c1-20(2)15-27-24-23(25(33)28-16-21-7-4-3-5-8-21)17-29-26(30-24)32-12-10-31(11-13-32)18-22-9-6-14-34-19-22/h3-5,7-8,17,20,22H,6,9-16,18-19H2,1-2H3,(H,28,33)(H,27,29,30)
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n/an/an/an/a 23n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescenc...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50350951
PNG
(CHEMBL1818209)
Show SMILES CC(C)CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H34N6O/c1-21(2)17-28-25-24(26(34)29-18-22-9-5-3-6-10-22)19-30-27(31-25)33-15-13-32(14-16-33)20-23-11-7-4-8-12-23/h3-12,19,21H,13-18,20H2,1-2H3,(H,29,34)(H,28,30,31)
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n/an/an/an/a 79n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescenc...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50350950
PNG
(CHEMBL1818210)
Show SMILES CC(C)CNc1nc(ncc1C(=O)NCc1cccnc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H33N7O/c1-20(2)15-28-24-23(25(34)29-17-22-9-6-10-27-16-22)18-30-26(31-24)33-13-11-32(12-14-33)19-21-7-4-3-5-8-21/h3-10,16,18,20H,11-15,17,19H2,1-2H3,(H,29,34)(H,28,30,31)
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n/an/an/an/a 49n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescenc...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50350948
PNG
(CHEMBL1818217)
Show SMILES O=C(NCc1ccccc1)c1cnc(nc1NC1CC1)N1CCN(CC2CCCOC2)CC1
Show InChI InChI=1S/C25H34N6O2/c32-24(26-15-19-5-2-1-3-6-19)22-16-27-25(29-23(22)28-21-8-9-21)31-12-10-30(11-13-31)17-20-7-4-14-33-18-20/h1-3,5-6,16,20-21H,4,7-15,17-18H2,(H,26,32)(H,27,28,29)
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n/an/an/an/a 848n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescence ...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50350952
PNG
(CHEMBL1818215)
Show SMILES O=C(NCc1ccccc1)c1cnc(nc1NC1CC1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H30N6O/c33-25(27-17-20-7-3-1-4-8-20)23-18-28-26(30-24(23)29-22-11-12-22)32-15-13-31(14-16-32)19-21-9-5-2-6-10-21/h1-10,18,22H,11-17,19H2,(H,27,33)(H,28,29,30)
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n/an/an/an/a 468n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescence ...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50350949
PNG
(CHEMBL1818214)
Show SMILES Fc1cccc(F)c1C(=O)N1CCN(CC1)c1ncc(C(=O)NCc2ccccc2)c(NC2CC2)n1
Show InChI InChI=1S/C26H26F2N6O2/c27-20-7-4-8-21(28)22(20)25(36)33-11-13-34(14-12-33)26-30-16-19(23(32-26)31-18-9-10-18)24(35)29-15-17-5-2-1-3-6-17/h1-8,16,18H,9-15H2,(H,29,35)(H,30,31,32)
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n/an/an/an/a 186n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescence ...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50350953
PNG
(CHEMBL1818213)
Show SMILES O=C(NCc1ccccc1)c1cnc(nc1NC1CC1)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H28N6O2/c33-24(27-17-19-7-3-1-4-8-19)22-18-28-26(30-23(22)29-21-11-12-21)32-15-13-31(14-16-32)25(34)20-9-5-2-6-10-20/h1-10,18,21H,11-17H2,(H,27,33)(H,28,29,30)
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n/an/an/an/a 5.60E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescence ...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50350954
PNG
(CHEMBL1818212)
Show SMILES COCCNC(=O)c1cnc(nc1NCC(C)C)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H34N6O2/c1-18(2)15-25-21-20(22(30)24-9-14-31-3)16-26-23(27-21)29-12-10-28(11-13-29)17-19-7-5-4-6-8-19/h4-8,16,18H,9-15,17H2,1-3H3,(H,24,30)(H,25,26,27)
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n/an/an/an/a 581n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescence ...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50350955
PNG
(CHEMBL1818211)
Show SMILES CC(C)CNc1nc(ncc1C(=O)NCc1ccccn1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H33N7O/c1-20(2)16-28-24-23(25(34)29-17-22-10-6-7-11-27-22)18-30-26(31-24)33-14-12-32(13-15-33)19-21-8-4-3-5-9-21/h3-11,18,20H,12-17,19H2,1-2H3,(H,29,34)(H,28,30,31)
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n/an/an/an/a 2.25E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescence ...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50350950
PNG
(CHEMBL1818210)
Show SMILES CC(C)CNc1nc(ncc1C(=O)NCc1cccnc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H33N7O/c1-20(2)15-28-24-23(25(34)29-17-22-9-6-10-27-16-22)18-30-26(31-24)33-13-11-32(12-14-33)19-21-7-4-3-5-8-21/h3-10,16,18,20H,11-15,17,19H2,1-2H3,(H,29,34)(H,28,30,31)
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n/an/an/an/a 215n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescence ...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50350951
PNG
(CHEMBL1818209)
Show SMILES CC(C)CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H34N6O/c1-21(2)17-28-25-24(26(34)29-18-22-9-5-3-6-10-22)19-30-27(31-25)33-15-13-32(14-16-33)20-23-11-7-4-8-12-23/h3-12,19,21H,13-18,20H2,1-2H3,(H,29,34)(H,28,30,31)
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n/an/an/an/a 175n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescence ...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
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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n/an/an/an/a 5.81E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescence ...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
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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n/an/an/an/a 1.12E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescenc...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50350949
PNG
(CHEMBL1818214)
Show SMILES Fc1cccc(F)c1C(=O)N1CCN(CC1)c1ncc(C(=O)NCc2ccccc2)c(NC2CC2)n1
Show InChI InChI=1S/C26H26F2N6O2/c27-20-7-4-8-21(28)22(20)25(36)33-11-13-34(14-12-33)26-30-16-19(23(32-26)31-18-9-10-18)24(35)29-15-17-5-2-1-3-6-17/h1-8,16,18H,9-15H2,(H,29,35)(H,30,31,32)
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n/an/an/an/a 27n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescenc...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair