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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 2431   
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 V member 1


(Homo sapiens (Human))
BDBM20490
PNG
(1-(2-bromophenyl)-3-[2-(2,3-dihydro-1H-indol-1-yl)...)
Show SMILES Brc1ccccc1NC(=O)NCCN1CCc2ccccc12
Show InChI InChI=1S/C17H18BrN3O/c18-14-6-2-3-7-15(14)20-17(22)19-10-12-21-11-9-13-5-1-4-8-16(13)21/h1-8H,9-12H2,(H2,19,20,22)
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n/an/an/an/a 158n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20509
PNG
(1-(2-bromophenyl)-3-[(3R)-1-(5-methylpyridin-2-yl)...)
Show SMILES Cc1ccc(nc1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
Show InChI InChI=1S/C17H19BrN4O/c1-12-6-7-16(19-10-12)22-9-8-13(11-22)20-17(23)21-15-5-3-2-4-14(15)18/h2-7,10,13H,8-9,11H2,1H3,(H2,20,21,23)/t13-/m1/s1
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n/an/an/an/a>200n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20492
PNG
(1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydro-1H-in...)
Show SMILES Cc1ccc2N(CCNC(=O)Nc3ccccc3Br)CCc2c1
Show InChI InChI=1S/C18H20BrN3O/c1-13-6-7-17-14(12-13)8-10-22(17)11-9-20-18(23)21-16-5-3-2-4-15(16)19/h2-7,12H,8-11H2,1H3,(H2,20,21,23)
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n/an/an/an/a 50n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20493
PNG
(1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydro-1H-in...)
Show SMILES Fc1cccc2N(CCNC(=O)Nc3ccccc3Br)CCc12
Show InChI InChI=1S/C17H17BrFN3O/c18-13-4-1-2-6-15(13)21-17(23)20-9-11-22-10-8-12-14(19)5-3-7-16(12)22/h1-7H,8-11H2,(H2,20,21,23)
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n/an/an/an/a 40n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20494
PNG
(1-(2-bromophenyl)-3-[2-(5-fluoro-2,3-dihydro-1H-in...)
Show SMILES Fc1ccc2N(CCNC(=O)Nc3ccccc3Br)CCc2c1
Show InChI InChI=1S/C17H17BrFN3O/c18-14-3-1-2-4-15(14)21-17(23)20-8-10-22-9-7-12-11-13(19)5-6-16(12)22/h1-6,11H,7-10H2,(H2,20,21,23)
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n/an/an/an/a 79n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20495
PNG
(3-(2-bromophenyl)-1-[2-(6-methyl-1,2,3,4-tetrahydr...)
Show SMILES Cc1ccc2N(CCNC(=O)Nc3ccccc3Br)CCCc2c1
Show InChI InChI=1S/C19H22BrN3O/c1-14-8-9-18-15(13-14)5-4-11-23(18)12-10-21-19(24)22-17-7-3-2-6-16(17)20/h2-3,6-9,13H,4-5,10-12H2,1H3,(H2,21,22,24)
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n/an/an/an/a 40n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20468
PNG
(3-(2-bromophenyl)-1-{2-[ethyl(3-methylphenyl)amino...)
Show SMILES CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1
Show InChI InChI=1S/C18H22BrN3O/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
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n/an/an/an/a 16n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20496
PNG
(1-(2-bromophenyl)-3-[(3S)-1-(3-methylphenyl)pyrrol...)
Show SMILES Cc1cccc(c1)N1CC[C@@H](C1)NC(=O)Nc1ccccc1Br |r|
Show InChI InChI=1S/C18H20BrN3O/c1-13-5-4-6-15(11-13)22-10-9-14(12-22)20-18(23)21-17-8-3-2-7-16(17)19/h2-8,11,14H,9-10,12H2,1H3,(H2,20,21,23)/t14-/m0/s1
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n/an/an/an/a>158n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20497
PNG
(1-(2-bromophenyl)-3-[(3R)-1-(3-methylphenyl)pyrrol...)
Show SMILES Cc1cccc(c1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
Show InChI InChI=1S/C18H20BrN3O/c1-13-5-4-6-15(11-13)22-10-9-14(12-22)20-18(23)21-17-8-3-2-7-16(17)19/h2-8,11,14H,9-10,12H2,1H3,(H2,20,21,23)/t14-/m1/s1
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n/an/an/an/a 20n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20498
PNG
(1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrol...)
Show SMILES Fc1cccc(c1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
Show InChI InChI=1S/C17H17BrFN3O/c18-15-6-1-2-7-16(15)21-17(23)20-13-8-9-22(11-13)14-5-3-4-12(19)10-14/h1-7,10,13H,8-9,11H2,(H2,20,21,23)/t13-/m1/s1
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n/an/an/an/a 16n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20499
PNG
(1-(2-bromophenyl)-3-[(3R)-1-(3,4-difluorophenyl)py...)
Show SMILES Fc1ccc(cc1F)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
Show InChI InChI=1S/C17H16BrF2N3O/c18-13-3-1-2-4-16(13)22-17(24)21-11-7-8-23(10-11)12-5-6-14(19)15(20)9-12/h1-6,9,11H,7-8,10H2,(H2,21,22,24)/t11-/m1/s1
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n/an/an/an/a 8n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20500
PNG
(1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphen...)
Show SMILES Cc1ccc(cc1F)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
Show InChI InChI=1S/C18H19BrFN3O/c1-12-6-7-14(10-16(12)20)23-9-8-13(11-23)21-18(24)22-17-5-3-2-4-15(17)19/h2-7,10,13H,8-9,11H2,1H3,(H2,21,22,24)/t13-/m1/s1
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n/an/an/an/a 5n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20501
PNG
(1-(2-bromophenyl)-3-[(3R)-1-(pyridin-2-yl)pyrrolid...)
Show SMILES Brc1ccccc1NC(=O)N[C@@H]1CCN(C1)c1ccccn1 |r|
Show InChI InChI=1S/C16H17BrN4O/c17-13-5-1-2-6-14(13)20-16(22)19-12-8-10-21(11-12)15-7-3-4-9-18-15/h1-7,9,12H,8,10-11H2,(H2,19,20,22)/t12-/m1/s1
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n/an/an/an/a>251n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20502
PNG
(1-(2-bromophenyl)-3-[(3R)-1-[3-(trifluoromethyl)py...)
Show SMILES FC(F)(F)c1cccnc1N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
Show InChI InChI=1S/C17H16BrF3N4O/c18-13-5-1-2-6-14(13)24-16(26)23-11-7-9-25(10-11)15-12(17(19,20)21)4-3-8-22-15/h1-6,8,11H,7,9-10H2,(H2,23,24,26)/t11-/m1/s1
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n/an/an/an/a 79n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20503
PNG
(1-(2-bromophenyl)-3-[(3R)-1-[4-(trifluoromethyl)py...)
Show SMILES FC(F)(F)c1ccnc(c1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
Show InChI InChI=1S/C17H16BrF3N4O/c18-13-3-1-2-4-14(13)24-16(26)23-12-6-8-25(10-12)15-9-11(5-7-22-15)17(19,20)21/h1-5,7,9,12H,6,8,10H2,(H2,23,24,26)/t12-/m1/s1
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n/an/an/an/a 126n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20504
PNG
(1-(2-bromophenyl)-3-[(3R)-1-[5-(trifluoromethyl)py...)
Show SMILES FC(F)(F)c1ccc(nc1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
Show InChI InChI=1S/C17H16BrF3N4O/c18-13-3-1-2-4-14(13)24-16(26)23-12-7-8-25(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H2,23,24,26)/t12-/m1/s1
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n/an/an/an/a 32n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20505
PNG
(1-(2-bromophenyl)-3-[(3R)-1-[6-(trifluoromethyl)py...)
Show SMILES FC(F)(F)c1cccc(n1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
Show InChI InChI=1S/C17H16BrF3N4O/c18-12-4-1-2-5-13(12)23-16(26)22-11-8-9-25(10-11)15-7-3-6-14(24-15)17(19,20)21/h1-7,11H,8-10H2,(H2,22,23,26)/t11-/m1/s1
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n/an/an/an/a 63n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20506
PNG
(1-(2-bromophenyl)-3-[(3R)-1-(5-bromopyridin-2-yl)p...)
Show SMILES Brc1ccc(nc1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
Show InChI InChI=1S/C16H16Br2N4O/c17-11-5-6-15(19-9-11)22-8-7-12(10-22)20-16(23)21-14-4-2-1-3-13(14)18/h1-6,9,12H,7-8,10H2,(H2,20,21,23)/t12-/m1/s1
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n/an/an/an/a 63n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20507
PNG
(1-(2-bromophenyl)-3-[(3R)-1-(5-chloropyridin-2-yl)...)
Show SMILES Clc1ccc(nc1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
Show InChI InChI=1S/C16H16BrClN4O/c17-13-3-1-2-4-14(13)21-16(23)20-12-7-8-22(10-12)15-6-5-11(18)9-19-15/h1-6,9,12H,7-8,10H2,(H2,20,21,23)/t12-/m1/s1
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n/an/an/an/a 50n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20508
PNG
(1-(2-bromophenyl)-3-[(3R)-1-(5-cyanopyridin-2-yl)p...)
Show SMILES Brc1ccccc1NC(=O)N[C@@H]1CCN(C1)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C17H16BrN5O/c18-14-3-1-2-4-15(14)22-17(24)21-13-7-8-23(11-13)16-6-5-12(9-19)10-20-16/h1-6,10,13H,7-8,11H2,(H2,21,22,24)/t13-/m1/s1
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n/an/an/an/a 200n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20491
PNG
(1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydro-1H-in...)
Show SMILES Cc1cccc2N(CCNC(=O)Nc3ccccc3Br)CCc12
Show InChI InChI=1S/C18H20BrN3O/c1-13-5-4-8-17-14(13)9-11-22(17)12-10-20-18(23)21-16-7-3-2-6-15(16)19/h2-8H,9-12H2,1H3,(H2,20,21,23)
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n/an/an/an/a 40n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair