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PubMed code 18183945

Compile data set for download or QSAR
Found 39 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 V member 1


(Homo sapiens (Human))
BDBM50232114
PNG
((R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(...)
Show SMILES CC(C)(C)c1ccc2[C@@H](CCc2c1)NC(=O)Nc1cccc2[nH]ncc12
Show InChI InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1
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n/an/a 0.700n/an/an/an/a5.5n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of pH 5.5-induced activation of TRPV1


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232114
PNG
((R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(...)
Show SMILES CC(C)(C)c1ccc2[C@@H](CCc2c1)NC(=O)Nc1cccc2[nH]ncc12
Show InChI InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of N-arachidonoyl-dopamine-induced activation of TRPV1


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232113
PNG
(1-(1H-indazol-4-yl)-3-(5-(trifluoromethyl)-2,3-dih...)
Show SMILES FC(F)(F)c1ccc2C(CCc2c1)NC(=O)Nc1cccc2[nH]ncc12 |w:8.14|
Show InChI InChI=1S/C18H15F3N4O/c19-18(20,21)11-5-6-12-10(8-11)4-7-15(12)24-17(26)23-14-2-1-3-16-13(14)9-22-25-16/h1-3,5-6,8-9,15H,4,7H2,(H,22,25)(H2,23,24,26)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232111
PNG
(1-(5-Cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-...)
Show SMILES O=C(NC1CCc2cc(ccc12)C1CC1)Nc1cccc2[nH]ncc12 |w:3.2|
Show InChI InChI=1S/C20H20N4O/c25-20(22-17-2-1-3-19-16(17)11-21-24-19)23-18-9-7-14-10-13(12-4-5-12)6-8-15(14)18/h1-3,6,8,10-12,18H,4-5,7,9H2,(H,21,24)(H2,22,23,25)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232114
PNG
((R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(...)
Show SMILES CC(C)(C)c1ccc2[C@@H](CCc2c1)NC(=O)Nc1cccc2[nH]ncc12
Show InChI InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232115
PNG
(1-(4-Cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-...)
Show SMILES O=C(NC1CCc2c1cccc2C1CC1)Nc1cccc2[nH]ncc12 |w:3.2|
Show InChI InChI=1S/C20H20N4O/c25-20(22-17-5-2-6-19-16(17)11-21-24-19)23-18-10-9-14-13(12-7-8-12)3-1-4-15(14)18/h1-6,11-12,18H,7-10H2,(H,21,24)(H2,22,23,25)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232128
PNG
(1-(1H-Indazol-4-yl)-3-(5-fluoro-4-morpholin-1-yl-i...)
Show SMILES Fc1ccc2C(CCc2c1N1CCOCC1)NC(=O)Nc1cccc2[nH]ncc12 |w:5.18|
Show InChI InChI=1S/C21H22FN5O2/c22-16-6-4-13-14(20(16)27-8-10-29-11-9-27)5-7-18(13)25-21(28)24-17-2-1-3-19-15(17)12-23-26-19/h1-4,6,12,18H,5,7-11H2,(H,23,26)(H2,24,25,28)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232134
PNG
(CHEMBL254867 | N-(5-tert-butyl-2,3-dihydro-1H-inde...)
Show SMILES CC(C)(C)c1ccc2C(CCc2c1)NC(=O)Nc1cccc2[nH]ncc12 |w:8.14|
Show InChI InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232125
PNG
(1-(1H-Indazol-4-yl)-3-[4-(4-trifluoromethyl)piperi...)
Show SMILES FC(F)(F)C1CCN(CC1)c1cccc2C(CCc12)NC(=O)Nc1cccc2[nH]ncc12 |w:15.21|
Show InChI InChI=1S/C23H24F3N5O/c24-23(25,26)14-9-11-31(12-10-14)21-6-1-3-15-16(21)7-8-19(15)29-22(32)28-18-4-2-5-20-17(18)13-27-30-20/h1-6,13-14,19H,7-12H2,(H,27,30)(H2,28,29,32)
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232137
PNG
(1-(1H-indazol-4-yl)-3-(1-methyl-7-(trifluoromethyl...)
Show SMILES CN1CCC(NC(=O)Nc2cccc3[nH]ncc23)c2ccc(cc12)C(F)(F)F |w:4.4|
Show InChI InChI=1S/C19H18F3N5O/c1-27-8-7-15(12-6-5-11(9-17(12)27)19(20,21)22)25-18(28)24-14-3-2-4-16-13(14)10-23-26-16/h2-6,9-10,15H,7-8H2,1H3,(H,23,26)(H2,24,25,28)
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232140
PNG
(CHEMBL255078 | N-(5-bromo-2,3-dihydro-1H-inden-1-y...)
Show SMILES Brc1ccc2C(CCc2c1)NC(=O)Nc1cccc2[nH]ncc12 |w:5.11|
Show InChI InChI=1S/C17H15BrN4O/c18-11-5-6-12-10(8-11)4-7-15(12)21-17(23)20-14-2-1-3-16-13(14)9-19-22-16/h1-3,5-6,8-9,15H,4,7H2,(H,19,22)(H2,20,21,23)
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232141
PNG
(1-(1H-Indazol-4-yl)-3-(4-piperidin-1-yl-indan-1-yl...)
Show SMILES O=C(NC1CCc2c1cccc2N1CCCCC1)Nc1cccc2[nH]ncc12 |w:3.2|
Show InChI InChI=1S/C22H25N5O/c28-22(24-18-7-5-8-20-17(18)14-23-26-20)25-19-11-10-16-15(19)6-4-9-21(16)27-12-2-1-3-13-27/h4-9,14,19H,1-3,10-13H2,(H,23,26)(H2,24,25,28)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232112
PNG
(1-(5-tert-butyl-2,3-dihydro-1H-inden-2-yl)-3-(1H-i...)
Show SMILES CC(C)(C)c1ccc2CC(Cc2c1)NC(=O)Nc1cccc2[nH]ncc12 |w:9.14|
Show InChI InChI=1S/C21H24N4O/c1-21(2,3)15-8-7-13-10-16(11-14(13)9-15)23-20(26)24-18-5-4-6-19-17(18)12-22-25-19/h4-9,12,16H,10-11H2,1-3H3,(H,22,25)(H2,23,24,26)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232123
PNG
(CHEMBL428765 | N-(5-chloro-2,3-dihydro-1H-inden-1-...)
Show SMILES Clc1ccc2C(CCc2c1)NC(=O)Nc1cccc2[nH]ncc12 |w:5.11|
Show InChI InChI=1S/C17H15ClN4O/c18-11-5-6-12-10(8-11)4-7-15(12)21-17(23)20-14-2-1-3-16-13(14)9-19-22-16/h1-3,5-6,8-9,15H,4,7H2,(H,19,22)(H2,20,21,23)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232126
PNG
(1-(4-trifluoromethyl-2,3-dihydro-1H-inden-1-yl)-3-...)
Show SMILES FC(F)(F)c1cccc2C(CCc12)NC(=O)Nc1cccc2[nH]ncc12 |w:9.14|
Show InChI InChI=1S/C18H15F3N4O/c19-18(20,21)13-4-1-3-11-10(13)7-8-15(11)24-17(26)23-14-5-2-6-16-12(14)9-22-25-16/h1-6,9,15H,7-8H2,(H,22,25)(H2,23,24,26)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232116
PNG
(1-(1H-indazol-4-yl)-3-(7-(trifluoromethyl)-3,4-dih...)
Show SMILES FC(F)(F)c1ccc2C(CCOc2c1)NC(=O)Nc1cccc2[nH]ncc12 |w:8.15|
Show InChI InChI=1S/C18H15F3N4O2/c19-18(20,21)10-4-5-11-14(6-7-27-16(11)8-10)24-17(26)23-13-2-1-3-15-12(13)9-22-25-15/h1-5,8-9,14H,6-7H2,(H,22,25)(H2,23,24,26)
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232127
PNG
(1-(5-methyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indaz...)
Show SMILES Cc1ccc2C(CCc2c1)NC(=O)Nc1cccc2[nH]ncc12 |w:5.11|
Show InChI InChI=1S/C18H18N4O/c1-11-5-7-13-12(9-11)6-8-16(13)21-18(23)20-15-3-2-4-17-14(15)10-19-22-17/h2-5,7,9-10,16H,6,8H2,1H3,(H,19,22)(H2,20,21,23)
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232130
PNG
(1-(4-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-i...)
Show SMILES CC(C)(C)c1cccc2C(CCc12)NC(=O)Nc1cccc2[nH]ncc12 |w:9.14|
Show InChI InChI=1S/C21H24N4O/c1-21(2,3)16-7-4-6-14-13(16)10-11-18(14)24-20(26)23-17-8-5-9-19-15(17)12-22-25-19/h4-9,12,18H,10-11H2,1-3H3,(H,22,25)(H2,23,24,26)
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232133
PNG
(CHEMBL401128 | N-1H-indazol-4-yl-N'-(5-piperidin-1...)
Show SMILES O=C(NC1CCc2cc(ccc12)N1CCCCC1)Nc1cccc2[nH]ncc12 |w:3.2|
Show InChI InChI=1S/C22H25N5O/c28-22(24-19-5-4-6-21-18(19)14-23-26-21)25-20-10-7-15-13-16(8-9-17(15)20)27-11-2-1-3-12-27/h4-6,8-9,13-14,20H,1-3,7,10-12H2,(H,23,26)(H2,24,25,28)
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232129
PNG
(1-[5-(Cyano-isopropyl)-indan-1-yl]-3-(1H-indazol-4...)
Show SMILES CC(C)(C#N)c1cccc2C(CCc12)NC(=O)Nc1cccc2[nH]ncc12 |w:10.15|
Show InChI InChI=1S/C21H21N5O/c1-21(2,12-22)16-6-3-5-14-13(16)9-10-18(14)25-20(27)24-17-7-4-8-19-15(17)11-23-26-19/h3-8,11,18H,9-10H2,1-2H3,(H,23,26)(H2,24,25,27)
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n/an/a 19n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232120
PNG
(1-(1H-indazol-4-yl)-3-(4-(pyrrolidin-1-yl)-2,3-dih...)
Show SMILES O=C(NC1CCc2c1cccc2N1CCCC1)Nc1cccc2[nH]ncc12 |w:3.2|
Show InChI InChI=1S/C21H23N5O/c27-21(23-17-6-4-7-19-16(17)13-22-25-19)24-18-10-9-15-14(18)5-3-8-20(15)26-11-1-2-12-26/h3-8,13,18H,1-2,9-12H2,(H,22,25)(H2,23,24,27)
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n/an/a 21n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20383
PNG
(1-isoquinolin-5-yl-3-{1-[4-(trifluoromethyl)phenyl...)
Show SMILES CC(NC(=O)Nc1cccc2cnccc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O/c1-12(13-5-7-15(8-6-13)19(20,21)22)24-18(26)25-17-4-2-3-14-11-23-10-9-16(14)17/h2-12H,1H3,(H2,24,25,26)
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n/an/a 22n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232135
PNG
((R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-2-c...)
Show SMILES CC(C)(C)c1ccc2[C@@H](CCc2c1)N\C(Nc1cccc2[nH]ncc12)=N\C#N |r|
Show InChI InChI=1S/C22H24N6/c1-22(2,3)15-8-9-16-14(11-15)7-10-19(16)27-21(24-13-23)26-18-5-4-6-20-17(18)12-25-28-20/h4-6,8-9,11-12,19H,7,10H2,1-3H3,(H,25,28)(H2,24,26,27)
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n/an/a 34n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232117
PNG
(1-(5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl...)
Show SMILES CC(C)(C)c1ccc2C(NC(=O)Nc3cccc4[nH]ncc34)C(F)Cc2c1 |w:8.8,22.24|
Show InChI InChI=1S/C21H23FN4O/c1-21(2,3)13-7-8-14-12(9-13)10-16(22)19(14)25-20(27)24-17-5-4-6-18-15(17)11-23-26-18/h4-9,11,16,19H,10H2,1-3H3,(H,23,26)(H2,24,25,27)
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n/an/a 35n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232119
PNG
(1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(1H-inda...)
Show SMILES COc1ccc2C(CCc2c1)NC(=O)Nc1cccc2[nH]ncc12 |w:6.12|
Show InChI InChI=1S/C18H18N4O2/c1-24-12-6-7-13-11(9-12)5-8-16(13)21-18(23)20-15-3-2-4-17-14(15)10-19-22-17/h2-4,6-7,9-10,16H,5,8H2,1H3,(H,19,22)(H2,20,21,23)
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n/an/a 40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232132
PNG
(1-(4-methyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indaz...)
Show SMILES Cc1cccc2C(CCc12)NC(=O)Nc1cccc2[nH]ncc12 |w:6.11|
Show InChI InChI=1S/C18H18N4O/c1-11-4-2-5-13-12(11)8-9-16(13)21-18(23)20-15-6-3-7-17-14(15)10-19-22-17/h2-7,10,16H,8-9H2,1H3,(H,19,22)(H2,20,21,23)
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n/an/a 46n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232142
PNG
(1-(1H-indazol-4-yl)-3-(1-(4-(trifluoromethyl)pheny...)
Show SMILES CC(NC(=O)Nc1cccc2[nH]ncc12)c1ccc(cc1)C(F)(F)F |w:1.0|
Show InChI InChI=1S/C17H15F3N4O/c1-10(11-5-7-12(8-6-11)17(18,19)20)22-16(25)23-14-3-2-4-15-13(14)9-21-24-15/h2-10H,1H3,(H,21,24)(H2,22,23,25)
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n/an/a 47n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232136
PNG
(CHEMBL428946 | N-(5-fluoro-2,3-dihydro-1H-inden-1-...)
Show SMILES Fc1ccc2C(CCc2c1)NC(=O)Nc1cccc2[nH]ncc12 |w:5.11|
Show InChI InChI=1S/C17H15FN4O/c18-11-5-6-12-10(8-11)4-7-15(12)21-17(23)20-14-2-1-3-16-13(14)9-19-22-16/h1-3,5-6,8-9,15H,4,7H2,(H,19,22)(H2,20,21,23)
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n/an/a 52n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232145
PNG
(1-(1H-Indazol-4-yl)-3-(4-morpholin-1-yl-indan-1-yl...)
Show SMILES O=C(NC1CCc2c1cccc2N1CCOCC1)Nc1cccc2[nH]ncc12 |w:3.2|
Show InChI InChI=1S/C21H23N5O2/c27-21(23-17-4-2-5-19-16(17)13-22-25-19)24-18-8-7-15-14(18)3-1-6-20(15)26-9-11-28-12-10-26/h1-6,13,18H,7-12H2,(H,22,25)(H2,23,24,27)
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n/an/a 65n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232121
PNG
((R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(...)
Show SMILES CC(C)(C)c1ccc2[C@@H](CCc2c1)NC(=S)Nc1cccc2[nH]ncc12 |r|
Show InChI InChI=1S/C21H24N4S/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)
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n/an/a 97n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232143
PNG
(CHEMBL398339 | N-[(1S)-5-tert-butyl-2,3-dihydro-1H...)
Show SMILES CC(C)(C)c1ccc2[C@H](CCc2c1)NC(=O)Nc1cccc2[nH]ncc12
Show InChI InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m0/s1
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n/an/a 123n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232118
PNG
((R)-1-(5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihyd...)
Show SMILES CC(C)(CO)c1ccc2[C@@H](CCc2c1)NC(=O)Nc1cccc2[nH]ncc12
Show InChI InChI=1S/C21H24N4O2/c1-21(2,12-26)14-7-8-15-13(10-14)6-9-18(15)24-20(27)23-17-4-3-5-19-16(17)11-22-25-19/h3-5,7-8,10-11,18,26H,6,9,12H2,1-2H3,(H,22,25)(H2,23,24,27)/t18-/m1/s1
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n/an/a 127n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232138
PNG
(1-(2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)u...)
Show SMILES O=C(NC1CCc2ccccc12)Nc1cccc2[nH]ncc12 |w:3.2|
Show InChI InChI=1S/C17H16N4O/c22-17(19-14-6-3-7-16-13(14)10-18-21-16)20-15-9-8-11-4-1-2-5-12(11)15/h1-7,10,15H,8-9H2,(H,18,21)(H2,19,20,22)
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n/an/a 151n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232124
PNG
(1-(5-tert-butyl-2,2-difluoro-2,3-dihydro-1H-inden-...)
Show SMILES CC(C)(C)c1ccc2C(NC(=O)Nc3cccc4[nH]ncc34)C(F)(F)Cc2c1 |w:8.8|
Show InChI InChI=1S/C21H22F2N4O/c1-20(2,3)13-7-8-14-12(9-13)10-21(22,23)18(14)26-19(28)25-16-5-4-6-17-15(16)11-24-27-17/h4-9,11,18H,10H2,1-3H3,(H,24,27)(H2,25,26,28)
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n/an/a 216n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232122
PNG
(1-(7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indaz...)
Show SMILES Cc1cccc2CCC(NC(=O)Nc3cccc4[nH]ncc34)c12 |w:8.8|
Show InChI InChI=1S/C18H18N4O/c1-11-4-2-5-12-8-9-16(17(11)12)21-18(23)20-14-6-3-7-15-13(14)10-19-22-15/h2-7,10,16H,8-9H2,1H3,(H,19,22)(H2,20,21,23)
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n/an/a 595n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232139
PNG
(1-(6,7-dihydro-5H-[1]pyridin-7-yl)-3-(1H-indazol-4...)
Show SMILES O=C(NC1CCc2cccnc12)Nc1cccc2[nH]ncc12 |w:3.2|
Show InChI InChI=1S/C16H15N5O/c22-16(19-12-4-1-5-13-11(12)9-18-21-13)20-14-7-6-10-3-2-8-17-15(10)14/h1-5,8-9,14H,6-7H2,(H,18,21)(H2,19,20,22)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232144
PNG
(1-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-3-(1H...)
Show SMILES O=C(NC1CCc2ncccc12)Nc1cccc2[nH]ncc12 |w:3.2|
Show InChI InChI=1S/C16H15N5O/c22-16(19-13-4-1-5-15-11(13)9-18-21-15)20-14-7-6-12-10(14)3-2-8-17-12/h1-5,8-9,14H,6-7H2,(H,18,21)(H2,19,20,22)
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Article
PubMed
n/an/a 5.82E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232131
PNG
(1-(6-methyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indaz...)
Show SMILES Cc1ccc2CCC(NC(=O)Nc3cccc4[nH]ncc34)c2c1 |w:7.7|
Show InChI InChI=1S/C18H18N4O/c1-11-5-6-12-7-8-16(13(12)9-11)21-18(23)20-15-3-2-4-17-14(15)10-19-22-17/h2-6,9-10,16H,7-8H2,1H3,(H,19,22)(H2,20,21,23)
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Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%