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PubMed code 17583335

Compile data set for download or QSAR
Found 49 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))		BDBM20341
PNG
(1-isoquinolin-5-yl-3-{[4-(morpholin-4-yl)phenyl]me...)
Show SMILES O=C(NCc1ccc(cc1)N1CCOCC1)Nc1cccc2cnccc12
Show InChI InChI=1S/C21H22N4O2/c26-21(24-20-3-1-2-17-15-22-9-8-19(17)20)23-14-16-4-6-18(7-5-16)25-10-12-27-13-11-25/h1-9,15H,10-14H2,(H2,23,24,26)
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n/an/an/an/a 91n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20364
PNG
(1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-(t...)
Show SMILES FC(F)(F)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1[C@H]2CC[C@@H]1CCC2 |r,THB:23:24:30.29.31:26.27|
Show InChI InChI=1S/C23H24F3N5O/c24-23(25,26)18-11-14(7-10-21(18)31-15-3-1-4-16(31)9-8-15)12-27-22(32)29-19-5-2-6-20-17(19)13-28-30-20/h2,5-7,10-11,13,15-16H,1,3-4,8-9,12H2,(H,28,30)(H2,27,29,32)/t15-,16+
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n/an/an/an/a 26.9n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20369
PNG
(1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2,3-...)
Show SMILES Fc1c(CNC(=O)Nc2cccc3[nH]ncc23)ccc(N2[C@H]3CC[C@@H]2CCC3)c1F |r,THB:19:20:26.25.27:22.23|
Show InChI InChI=1S/C22H23F2N5O/c23-20-13(7-10-19(21(20)24)29-14-3-1-4-15(29)9-8-14)11-25-22(30)27-17-5-2-6-18-16(17)12-26-28-18/h2,5-7,10,12,14-15H,1,3-4,8-9,11H2,(H,26,28)(H2,25,27,30)/t14-,15+
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n/an/an/an/a 25.5n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
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/an/an/a 2.10n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20340
PNG
(1-isoquinolin-5-yl-3-{[4-(4-methylpiperidin-1-yl)p...)
Show SMILES CC1CCN(CC1)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C23H26N4O/c1-17-10-13-27(14-11-17)20-7-5-18(6-8-20)15-25-23(28)26-22-4-2-3-19-16-24-12-9-21(19)22/h2-9,12,16-17H,10-11,13-15H2,1H3,(H2,25,26,28)
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n/an/an/an/a 9.30n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20347
PNG
(1-(3-chloroisoquinolin-5-yl)-3-{[4-(morpholin-4-yl...)
Show SMILES Clc1cc2c(NC(=O)NCc3ccc(cc3)N3CCOCC3)cccc2cn1
Show InChI InChI=1S/C21H21ClN4O2/c22-20-12-18-16(14-23-20)2-1-3-19(18)25-21(27)24-13-15-4-6-17(7-5-15)26-8-10-28-11-9-26/h1-7,12,14H,8-11,13H2,(H2,24,25,27)
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n/an/an/an/a 156n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20357
PNG
(1-{[4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]meth...)
Show SMILES FC(F)(F)c1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)N1CCCCCC1
Show InChI InChI=1S/C22H24F3N5O/c23-22(24,25)18-12-16(30-10-3-1-2-4-11-30)9-8-15(18)13-26-21(31)28-19-6-5-7-20-17(19)14-27-29-20/h5-9,12,14H,1-4,10-11,13H2,(H,27,29)(H2,26,28,31)
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n/an/an/an/a 133n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20370
PNG
(1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2,5-...)
Show SMILES Fc1cc(N2[C@H]3CC[C@@H]2CCC3)c(F)cc1CNC(=O)Nc1cccc2[nH]ncc12 |r,THB:3:4:10.9.11:6.7|
Show InChI InChI=1S/C22H23F2N5O/c23-17-10-21(29-14-3-1-4-15(29)8-7-14)18(24)9-13(17)11-25-22(30)27-19-5-2-6-20-16(19)12-26-28-20/h2,5-6,9-10,12,14-15H,1,3-4,7-8,11H2,(H,26,28)(H2,25,27,30)/t14-,15+
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n/an/an/an/a 21.3n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20374
PNG
(1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-1H...)
Show SMILES CCN1CCc2cc(CNC(=O)Nc3cccc4[nH]ncc34)ccc12
Show InChI InChI=1S/C19H21N5O/c1-2-24-9-8-14-10-13(6-7-18(14)24)11-20-19(25)22-16-4-3-5-17-15(16)12-21-23-17/h3-7,10,12H,2,8-9,11H2,1H3,(H,21,23)(H2,20,22,25)
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n/an/an/an/a 285n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20375
PNG
(1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-(1...)
Show SMILES CCN1CCc2cc(CNC(=O)Nc3cccc4n(C)ncc34)ccc12
Show InChI InChI=1S/C20H23N5O/c1-3-25-10-9-15-11-14(7-8-18(15)25)12-21-20(26)23-17-5-4-6-19-16(17)13-22-24(19)2/h4-8,11,13H,3,9-10,12H2,1-2H3,(H2,21,23,26)
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n/an/an/an/a 305n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20376
PNG
(3-1H-indazol-4-yl-1-[(9-methyl-9H-carbazol-3-yl)me...)
Show SMILES Cn1c2ccccc2c2cc(CNC(=O)Nc3cccc4[nH]ncc34)ccc12
Show InChI InChI=1S/C22H19N5O/c1-27-20-8-3-2-5-15(20)16-11-14(9-10-21(16)27)12-23-22(28)25-18-6-4-7-19-17(18)13-24-26-19/h2-11,13H,12H2,1H3,(H,24,26)(H2,23,25,28)
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n/an/an/an/a 902n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20380
PNG
(1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2-be...)
Show SMILES Cn1ncc2c(NC(=O)NCc3ccc(cc3Cc3ccccc3)N3[C@H]4CC[C@@H]3CCC4)cccc12 |r,THB:14:24:30.29.31:26.27|
Show InChI InChI=1S/C30H33N5O/c1-34-29-12-6-11-28(27(29)20-32-34)33-30(36)31-19-22-13-14-26(35-24-9-5-10-25(35)16-15-24)18-23(22)17-21-7-3-2-4-8-21/h2-4,6-8,11-14,18,20,24-25H,5,9-10,15-17,19H2,1H3,(H2,31,33,36)/t24-,25+
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n/an/an/an/a 19n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20351
PNG
(3-{[4-(azepan-1-yl)-3-fluorophenyl]methyl}-1-isoqu...)
Show SMILES Fc1cc(CNC(=O)Nc2cccc3cnccc23)ccc1N1CCCCCC1
Show InChI InChI=1S/C23H25FN4O/c24-20-14-17(8-9-22(20)28-12-3-1-2-4-13-28)15-26-23(29)27-21-7-5-6-18-16-25-11-10-19(18)21/h5-11,14,16H,1-4,12-13,15H2,(H2,26,27,29)
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n/an/an/an/a 2.80n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20354
PNG
(3-{[4-(2,3-dihydro-1H-isoindol-2-yl)-3-fluoropheny...)
Show SMILES Cc1cc2c(NC(=O)NCc3ccc(N4Cc5ccccc5C4)c(F)c3)cccc2cn1
Show InChI InChI=1S/C26H23FN4O/c1-17-11-22-19(14-28-17)7-4-8-24(22)30-26(32)29-13-18-9-10-25(23(27)12-18)31-15-20-5-2-3-6-21(20)16-31/h2-12,14H,13,15-16H2,1H3,(H2,29,30,32)
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n/an/an/an/a 7.36E+3n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20356
PNG
(1-{[4-(azepan-1-yl)-2-chlorophenyl]methyl}-3-1H-in...)
Show SMILES Clc1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)N1CCCCCC1
Show InChI InChI=1S/C21H24ClN5O/c22-18-12-16(27-10-3-1-2-4-11-27)9-8-15(18)13-23-21(28)25-19-6-5-7-20-17(19)14-24-26-20/h5-9,12,14H,1-4,10-11,13H2,(H,24,26)(H2,23,25,28)
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n/an/an/an/a 190n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20378
PNG
(1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2-me...)
Show SMILES Cc1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)N1[C@H]2CC[C@@H]1CCC2 |r,THB:3:21:27.26.28:23.24|
Show InChI InChI=1S/C23H27N5O/c1-15-12-19(28-17-4-2-5-18(28)11-10-17)9-8-16(15)13-24-23(29)26-21-6-3-7-22-20(21)14-25-27-22/h3,6-9,12,14,17-18H,2,4-5,10-11,13H2,1H3,(H,25,27)(H2,24,26,29)/t17-,18+
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n/an/an/an/a 29n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20379
PNG
(1-(2-Benzyl-4-(8-azabicyclo[3.2.1]octan-8-yl)benzy...)
Show SMILES O=C(NCc1ccc(cc1Cc1ccccc1)N1[C@H]2CC[C@@H]1CCC2)Nc1cccc2[nH]ncc12 |r,THB:7:17:23.22.24:19.20|
Show InChI InChI=1S/C29H31N5O/c35-29(32-27-10-5-11-28-26(27)19-31-33-28)30-18-21-12-13-25(34-23-8-4-9-24(34)15-14-23)17-22(21)16-20-6-2-1-3-7-20/h1-3,5-7,10-13,17,19,23-24H,4,8-9,14-16,18H2,(H,31,33)(H2,30,32,35)/t23-,24+
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n/an/an/an/a 22.4n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20336
PNG
(1-isoquinolin-5-yl-3-{[4-(pyrrolidin-1-yl)phenyl]m...)
Show SMILES O=C(NCc1ccc(cc1)N1CCCC1)Nc1cccc2cnccc12
Show InChI InChI=1S/C21H22N4O/c26-21(24-20-5-3-4-17-15-22-11-10-19(17)20)23-14-16-6-8-18(9-7-16)25-12-1-2-13-25/h3-11,15H,1-2,12-14H2,(H2,23,24,26)
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n/an/an/an/a 5.30n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20344
PNG
(3-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]pheny...)
Show SMILES O=C(NCc1ccc(cc1)N1[C@H]2CC[C@@H]1CCC2)Nc1cccc2cnccc12 |r,THB:7:10:16.15.17:12.13|
Show InChI InChI=1S/C24H26N4O/c29-24(27-23-6-1-3-18-16-25-14-13-22(18)23)26-15-17-7-9-21(10-8-17)28-19-4-2-5-20(28)12-11-19/h1,3,6-10,13-14,16,19-20H,2,4-5,11-12,15H2,(H2,26,27,29)/t19-,20+
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n/an/an/an/a 3.30n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20345
PNG
(3-{[4-(azepan-1-yl)phenyl]methyl}-1-(3-methylisoqu...)
Show SMILES Cc1cc2c(NC(=O)NCc3ccc(cc3)N3CCCCCC3)cccc2cn1
Show InChI InChI=1S/C24H28N4O/c1-18-15-22-20(17-25-18)7-6-8-23(22)27-24(29)26-16-19-9-11-21(12-10-19)28-13-4-2-3-5-14-28/h6-12,15,17H,2-5,13-14,16H2,1H3,(H2,26,27,29)
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n/an/an/an/a 3.80n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20355
PNG
(1-(3-aminoisoquinolin-5-yl)-3-({4-[(1R,5S)-8-azabi...)
Show SMILES Nc1cc2c(NC(=O)NCc3ccc(N4[C@H]5CC[C@@H]4CCC5)c(c3)C(F)(F)F)cccc2cn1 |r,THB:13:14:20.19.21:16.17|
Show InChI InChI=1S/C25H26F3N5O/c26-25(27,28)20-11-15(7-10-22(20)33-17-4-2-5-18(33)9-8-17)13-31-24(34)32-21-6-1-3-16-14-30-23(29)12-19(16)21/h1,3,6-7,10-12,14,17-18H,2,4-5,8-9,13H2,(H2,29,30)(H2,31,32,34)/t17-,18+
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n/an/an/an/a 14n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20360
PNG
(1-{[4-(azepan-1-yl)-3,5-difluorophenyl]methyl}-3-1...)
Show SMILES Fc1cc(CNC(=O)Nc2cccc3[nH]ncc23)cc(F)c1N1CCCCCC1
Show InChI InChI=1S/C21H23F2N5O/c22-16-10-14(11-17(23)20(16)28-8-3-1-2-4-9-28)12-24-21(29)26-18-6-5-7-19-15(18)13-25-27-19/h5-7,10-11,13H,1-4,8-9,12H2,(H,25,27)(H2,24,26,29)
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n/an/an/an/a 39.3n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20365
PNG
(1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-ch...)
Show SMILES Clc1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1[C@H]2CC[C@@H]1CCC2 |r,THB:20:21:27.26.28:23.24|
Show InChI InChI=1S/C22H24ClN5O/c23-18-11-14(7-10-21(18)28-15-3-1-4-16(28)9-8-15)12-24-22(29)26-19-5-2-6-20-17(19)13-25-27-20/h2,5-7,10-11,13,15-16H,1,3-4,8-9,12H2,(H,25,27)(H2,24,26,29)/t15-,16+
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n/an/an/an/a 20.4n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20366
PNG
(1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-br...)
Show SMILES Brc1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1[C@H]2CC[C@@H]1CCC2 |r,THB:20:21:27.26.28:23.24|
Show InChI InChI=1S/C22H24BrN5O/c23-18-11-14(7-10-21(18)28-15-3-1-4-16(28)9-8-15)12-24-22(29)26-19-5-2-6-20-17(19)13-25-27-20/h2,5-7,10-11,13,15-16H,1,3-4,8-9,12H2,(H,25,27)(H2,24,26,29)/t15-,16+
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n/an/an/an/a 43.2n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20371
PNG
(1-({4-[(1S,5R)-8-azaspiro[bicyclo[3.2.1]octane-3,2...)
Show SMILES Fc1cc(N2[C@H]3CC[C@@H]2CC2(C3)OCCO2)c(F)cc1CNC(=O)Nc1cccc2[nH]ncc12 |r,TLB:3:4:6.7:9.11.10|
Show InChI InChI=1S/C24H25F2N5O3/c25-18-9-22(31-15-4-5-16(31)11-24(10-15)33-6-7-34-24)19(26)8-14(18)12-27-23(32)29-20-2-1-3-21-17(20)13-28-30-21/h1-3,8-9,13,15-16H,4-7,10-12H2,(H,28,30)(H2,27,29,32)/t15-,16+
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n/an/an/an/a 82n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20372
PNG
(1-({2,5-difluoro-4-[(1R,5S)-3-oxo-8-azabicyclo[3.2...)
Show SMILES Fc1cc(N2[C@H]3CC[C@@H]2CC(=O)C3)c(F)cc1CNC(=O)Nc1cccc2[nH]ncc12 |r,TLB:3:4:6.7:9.12.10|
Show InChI InChI=1S/C22H21F2N5O2/c23-17-9-21(29-13-4-5-14(29)8-15(30)7-13)18(24)6-12(17)10-25-22(31)27-19-2-1-3-20-16(19)11-26-28-20/h1-3,6,9,11,13-14H,4-5,7-8,10H2,(H,26,28)(H2,25,27,31)/t13-,14+
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n/an/an/an/a 157n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20381
PNG
(1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2-(p...)
Show SMILES CC(C)c1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)N1[C@H]2CC[C@@H]1CCC2 |r,THB:5:23:29.28.30:25.26|
Show InChI InChI=1S/C25H31N5O/c1-16(2)21-13-20(30-18-5-3-6-19(30)12-11-18)10-9-17(21)14-26-25(31)28-23-7-4-8-24-22(23)15-27-29-24/h4,7-10,13,15-16,18-19H,3,5-6,11-12,14H2,1-2H3,(H,27,29)(H2,26,28,31)/t18-,19+
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n/an/an/an/a 35.3n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20382
PNG
(1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2-(3...)
Show SMILES CC(C)(C)CCc1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)N1[C@H]2CC[C@@H]1CCC2 |r,THB:8:26:32.31.33:28.29|
Show InChI InChI=1S/C28H37N5O/c1-28(2,3)15-14-19-16-23(33-21-6-4-7-22(33)13-12-21)11-10-20(19)17-29-27(34)31-25-8-5-9-26-24(25)18-30-32-26/h5,8-11,16,18,21-22H,4,6-7,12-15,17H2,1-3H3,(H,30,32)(H2,29,31,34)/t21-,22+
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n/an/an/an/a 10.3n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20337
PNG
(1-isoquinolin-5-yl-3-{[4-(piperidin-1-yl)phenyl]me...)
Show SMILES O=C(NCc1ccc(cc1)N1CCCCC1)Nc1cccc2cnccc12
Show InChI InChI=1S/C22H24N4O/c27-22(25-21-6-4-5-18-16-23-12-11-20(18)21)24-15-17-7-9-19(10-8-17)26-13-2-1-3-14-26/h4-12,16H,1-3,13-15H2,(H2,24,25,27)
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n/an/an/an/a 7.30n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20342
PNG
(3-{[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl}-1...)
Show SMILES CC1CN(CC(C)O1)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C23H26N4O2/c1-16-14-27(15-17(2)29-16)20-8-6-18(7-9-20)12-25-23(28)26-22-5-3-4-19-13-24-11-10-21(19)22/h3-11,13,16-17H,12,14-15H2,1-2H3,(H2,25,26,28)
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n/an/an/an/a 258n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20343
PNG
(1-isoquinolin-5-yl-3-{[4-(thiomorpholin-4-yl)pheny...)
Show SMILES O=C(NCc1ccc(cc1)N1CCSCC1)Nc1cccc2cnccc12
Show InChI InChI=1S/C21H22N4OS/c26-21(24-20-3-1-2-17-15-22-9-8-19(17)20)23-14-16-4-6-18(7-5-16)25-10-12-27-13-11-25/h1-9,15H,10-14H2,(H2,23,24,26)
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n/an/an/an/a 23.8n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20358
PNG
(1-{[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]meth...)
Show SMILES FC(F)(F)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1CCCCCC1
Show InChI InChI=1S/C22H24F3N5O/c23-22(24,25)17-12-15(8-9-20(17)30-10-3-1-2-4-11-30)13-26-21(31)28-18-6-5-7-19-16(18)14-27-29-19/h5-9,12,14H,1-4,10-11,13H2,(H,27,29)(H2,26,28,31)
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n/an/an/an/a 29.5n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20359
PNG
(1-{[4-(azepan-1-yl)-3-fluorophenyl]methyl}-3-1H-in...)
Show SMILES Fc1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1CCCCCC1
Show InChI InChI=1S/C21H24FN5O/c22-17-12-15(8-9-20(17)27-10-3-1-2-4-11-27)13-23-21(28)25-18-6-5-7-19-16(18)14-24-26-19/h5-9,12,14H,1-4,10-11,13H2,(H,24,26)(H2,23,25,28)
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n/an/an/an/a 14.2n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20362
PNG
(1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2-ch...)
Show SMILES Clc1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)N1[C@H]2CC[C@@H]1CCC2 |r,THB:3:21:27.26.28:23.24|
Show InChI InChI=1S/C22H24ClN5O/c23-19-11-17(28-15-3-1-4-16(28)10-9-15)8-7-14(19)12-24-22(29)26-20-5-2-6-21-18(20)13-25-27-21/h2,5-8,11,13,15-16H,1,3-4,9-10,12H2,(H,25,27)(H2,24,26,29)/t15-,16+
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n/an/an/an/a 58.8n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20363
PNG
(1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2-(t...)
Show SMILES FC(F)(F)c1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)N1[C@H]2CC[C@@H]1CCC2 |r,THB:6:24:30.29.31:26.27|
Show InChI InChI=1S/C23H24F3N5O/c24-23(25,26)19-11-17(31-15-3-1-4-16(31)10-9-15)8-7-14(19)12-27-22(32)29-20-5-2-6-21-18(20)13-28-30-21/h2,5-8,11,13,15-16H,1,3-4,9-10,12H2,(H,28,30)(H2,27,29,32)/t15-,16+
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n/an/an/an/a 54.5n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20373
PNG
(1-(1-Methyl-1H-indazol-4-yl)-3-((1-methyl-1H-indol...)
Show SMILES Cn1ccc2cc(CNC(=O)Nc3cccc4n(C)ncc34)ccc12
Show InChI InChI=1S/C19H19N5O/c1-23-9-8-14-10-13(6-7-17(14)23)11-20-19(25)22-16-4-3-5-18-15(16)12-21-24(18)2/h3-10,12H,11H2,1-2H3,(H2,20,22,25)
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n/an/an/an/a 1.85E+3n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20335
PNG
(3-{[4-(dimethylamino)phenyl]methyl}-1-isoquinolin-...)
Show SMILES CN(C)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C19H20N4O/c1-23(2)16-8-6-14(7-9-16)12-21-19(24)22-18-5-3-4-15-13-20-11-10-17(15)18/h3-11,13H,12H2,1-2H3,(H2,21,22,24)
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n/an/an/an/a 157n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20346
PNG
(1-(3-aminoisoquinolin-5-yl)-3-{[4-(azepan-1-yl)phe...)
Show SMILES Nc1cc2c(NC(=O)NCc3ccc(cc3)N3CCCCCC3)cccc2cn1
Show InChI InChI=1S/C23H27N5O/c24-22-14-20-18(16-25-22)6-5-7-21(20)27-23(29)26-15-17-8-10-19(11-9-17)28-12-3-1-2-4-13-28/h5-11,14,16H,1-4,12-13,15H2,(H2,24,25)(H2,26,27,29)
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n/an/an/an/a 9.80n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20353
PNG
(3-{[3-fluoro-4-(pyrrolidin-1-yl)phenyl]methyl}-1-(...)
Show SMILES Cc1cc2c(NC(=O)NCc3ccc(N4CCCC4)c(F)c3)cccc2cn1
Show InChI InChI=1S/C22H23FN4O/c1-15-11-18-17(14-24-15)5-4-6-20(18)26-22(28)25-13-16-7-8-21(19(23)12-16)27-9-2-3-10-27/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H2,25,26,28)
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n/an/an/an/a 15.5n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20367
PNG
(1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-fl...)
Show SMILES Fc1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1[C@H]2CC[C@@H]1CCC2 |r,THB:20:21:27.26.28:23.24|
Show InChI InChI=1S/C22H24FN5O/c23-18-11-14(7-10-21(18)28-15-3-1-4-16(28)9-8-15)12-24-22(29)26-19-5-2-6-20-17(19)13-25-27-20/h2,5-7,10-11,13,15-16H,1,3-4,8-9,12H2,(H,25,27)(H2,24,26,29)/t15-,16+
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n/an/an/an/a 14.8n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20377
PNG
(1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-me...)
Show SMILES Cc1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1[C@H]2CC[C@@H]1CCC2 |r,THB:20:21:27.26.28:23.24|
Show InChI InChI=1S/C23H27N5O/c1-15-12-16(8-11-22(15)28-17-4-2-5-18(28)10-9-17)13-24-23(29)26-20-6-3-7-21-19(20)14-25-27-21/h3,6-8,11-12,14,17-18H,2,4-5,9-10,13H2,1H3,(H,25,27)(H2,24,26,29)/t17-,18+
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n/an/an/an/a 19.8n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20338
PNG
(3-{[4-(azepan-1-yl)phenyl]methyl}-1-isoquinolin-5-...)
Show SMILES O=C(NCc1ccc(cc1)N1CCCCCC1)Nc1cccc2cnccc12
Show InChI InChI=1S/C23H26N4O/c28-23(26-22-7-5-6-19-17-24-13-12-21(19)22)25-16-18-8-10-20(11-9-18)27-14-3-1-2-4-15-27/h5-13,17H,1-4,14-16H2,(H2,25,26,28)
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n/an/an/an/a 3.30n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20349
PNG
(3-{[4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]meth...)
Show SMILES FC(F)(F)c1cc(ccc1CNC(=O)Nc1cccc2cnccc12)N1CCCCCC1
Show InChI InChI=1S/C24H25F3N4O/c25-24(26,27)21-14-19(31-12-3-1-2-4-13-31)9-8-18(21)16-29-23(32)30-22-7-5-6-17-15-28-11-10-20(17)22/h5-11,14-15H,1-4,12-13,16H2,(H2,29,30,32)
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n/an/an/an/a 5.70n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20350
PNG
(3-{[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]meth...)
Show SMILES FC(F)(F)c1cc(CNC(=O)Nc2cccc3cnccc23)ccc1N1CCCCCC1
Show InChI InChI=1S/C24H25F3N4O/c25-24(26,27)20-14-17(8-9-22(20)31-12-3-1-2-4-13-31)15-29-23(32)30-21-7-5-6-18-16-28-11-10-19(18)21/h5-11,14,16H,1-4,12-13,15H2,(H2,29,30,32)
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n/an/an/an/a 4.60n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20368
PNG
(1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3,5-...)
Show SMILES Fc1cc(CNC(=O)Nc2cccc3[nH]ncc23)cc(F)c1N1[C@H]2CC[C@@H]1CCC2 |r,THB:21:22:28.27.29:24.25|
Show InChI InChI=1S/C22H23F2N5O/c23-17-9-13(10-18(24)21(17)29-14-3-1-4-15(29)8-7-14)11-25-22(30)27-19-5-2-6-20-16(19)12-26-28-20/h2,5-6,9-10,12,14-15H,1,3-4,7-8,11H2,(H,26,28)(H2,25,27,30)/t14-,15+
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n/an/an/an/a 12.6n/an/an/an/a



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20339
PNG
(3-{[4-(azocan-1-yl)phenyl]methyl}-1-isoquinolin-5-...)
Show SMILES O=C(NCc1ccc(cc1)N1CCCCCCC1)Nc1cccc2cnccc12
Show InChI InChI=1S/C24H28N4O/c29-24(27-23-8-6-7-20-18-25-14-13-22(20)23)26-17-19-9-11-21(12-10-19)28-15-4-2-1-3-5-16-28/h6-14,18H,1-5,15-17H2,(H2,26,27,29)
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n/an/an/an/a 4.70n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20348
PNG
(3-{[4-(azepan-1-yl)-2-chlorophenyl]methyl}-1-isoqu...)
Show SMILES Clc1cc(ccc1CNC(=O)Nc1cccc2cnccc12)N1CCCCCC1
Show InChI InChI=1S/C23H25ClN4O/c24-21-14-19(28-12-3-1-2-4-13-28)9-8-18(21)16-26-23(29)27-22-7-5-6-17-15-25-11-10-20(17)22/h5-11,14-15H,1-4,12-13,16H2,(H2,26,27,29)
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n/an/an/an/a 5.20n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20361
PNG
(1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]pheny...)
Show SMILES O=C(NCc1ccc(cc1)N1[C@H]2CC[C@@H]1CCC2)Nc1cccc2[nH]ncc12 |r,THB:7:10:16.15.17:12.13|
Show InChI InChI=1S/C22H25N5O/c28-22(25-20-5-2-6-21-19(20)14-24-26-21)23-13-15-7-9-18(10-8-15)27-16-3-1-4-17(27)12-11-16/h2,5-10,14,16-17H,1,3-4,11-13H2,(H,24,26)(H2,23,25,28)/t16-,17+
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n/an/an/an/a 18n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20352
PNG
(3-{[3,5-difluoro-4-(morpholin-4-yl)phenyl]methyl}-...)
Show SMILES Fc1cc(CNC(=O)Nc2cccc3cnccc23)cc(F)c1N1CCOCC1
Show InChI InChI=1S/C21H20F2N4O2/c22-17-10-14(11-18(23)20(17)27-6-8-29-9-7-27)12-25-21(28)26-19-3-1-2-15-13-24-5-4-16(15)19/h1-5,10-11,13H,6-9,12H2,(H2,25,26,28)
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n/an/an/an/a 9.30n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...

J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%