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Compile Data Set for Download or QSAR

Found 995 hits with Last Name = 'jetter' and Initial = 'mc'   
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
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085677
PNG
(4-(1,3-Dimethyl-6,7-dihydro-benzo[c]thiophen-4-yl)...)
Show SMILES Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10|
Show InChI InChI=1S/C13H14N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h5-7H,3-4H2,1-2H3,(H,14,15)
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0.00860n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


J Med Chem 43: 1423-6 (2001)


BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085677
PNG
(4-(1,3-Dimethyl-6,7-dihydro-benzo[c]thiophen-4-yl)...)
Show SMILES Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10|
Show InChI InChI=1S/C13H14N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h5-7H,3-4H2,1-2H3,(H,14,15)
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0.00860n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


J Med Chem 43: 765-8 (2000)


BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085683
PNG
((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...)
Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
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0.0150n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


J Med Chem 43: 1423-6 (2001)


BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085683
PNG
((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...)
Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
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0.0150n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


J Med Chem 43: 765-8 (2000)


BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50147083
PNG
(1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea | ...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H23N3O/c1-21(2,3)17-9-7-15(8-10-17)13-23-20(25)24-19-6-4-5-16-14-22-12-11-18(16)19/h4-12,14H,13H2,1-3H3,(H2,23,24,25)
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand.


Bioorg Med Chem Lett 14: 3053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.038
BindingDB Entry DOI: 10.7270/Q2FB52D6
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085679
PNG
(4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-7-yl)-1H-im...)
Show SMILES C1CC(c2cnc[nH]2)c2sccc2C1
Show InChI InChI=1S/C11H12N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h4-7,9H,1-3H2,(H,12,13)
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0.350n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


J Med Chem 43: 765-8 (2000)


BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085679
PNG
(4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-7-yl)-1H-im...)
Show SMILES C1CC(c2cnc[nH]2)c2sccc2C1
Show InChI InChI=1S/C11H12N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h4-7,9H,1-3H2,(H,12,13)
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0.350n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


J Med Chem 43: 1423-6 (2001)


BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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0.390n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


J Med Chem 43: 765-8 (2000)


BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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0.390n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


J Med Chem 43: 1423-6 (2001)


BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085678
PNG
(4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-im...)
Show SMILES C1CC(c2cnc[nH]2)c2ccsc2C1
Show InChI InChI=1S/C11H12N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h4-8H,1-3H2,(H,12,13)
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0.560n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


J Med Chem 43: 1423-6 (2001)


BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085678
PNG
(4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-im...)
Show SMILES C1CC(c2cnc[nH]2)c2ccsc2C1
Show InChI InChI=1S/C11H12N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h4-8H,1-3H2,(H,12,13)
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0.560n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


J Med Chem 43: 765-8 (2000)


BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223336
PNG
(1-(1-(cyclopropylmethyl)-6-fluoro-1,2,3,4-tetrahyd...)
Show SMILES Fc1ccc2C(CC3CC3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12 |w:5.5,10.17|
Show InChI InChI=1S/C24H24FN3O/c25-18-7-8-19-16(13-18)6-9-23(21(19)12-15-4-5-15)28-24(29)27-22-3-1-2-17-14-26-11-10-20(17)22/h1-3,7-8,10-11,13-15,21,23H,4-6,9,12H2,(H2,27,28,29)
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0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50147069
PNG
(1-(4-Chloro-3-trifluoromethyl-benzyl)-3-isoquinoli...)
Show SMILES FC(F)(F)c1cc(CNC(=O)Nc2cccc3cnccc23)ccc1Cl
Show InChI InChI=1S/C18H13ClF3N3O/c19-15-5-4-11(8-14(15)18(20,21)22)9-24-17(26)25-16-3-1-2-12-10-23-7-6-13(12)16/h1-8,10H,9H2,(H2,24,25,26)
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0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand.


Bioorg Med Chem Lett 14: 3053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.038
BindingDB Entry DOI: 10.7270/Q2FB52D6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223313
PNG
(1-(1-(4-bromobenzyl)-6-methoxy-1,2,3,4-tetrahydron...)
Show SMILES COc1ccc2C(Cc3ccc(Br)cc3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12 |w:6.6,15.22|
Show InChI InChI=1S/C28H26BrN3O2/c1-34-22-10-11-23-19(16-22)7-12-27(25(23)15-18-5-8-21(29)9-6-18)32-28(33)31-26-4-2-3-20-17-30-14-13-24(20)26/h2-6,8-11,13-14,16-17,25,27H,7,12,15H2,1H3,(H2,31,32,33)
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223314
PNG
(1-(1-(4-(trifluoromethyl)benzyl)-6-fluoro-1,2,3,4-...)
Show SMILES Fc1ccc2C(Cc3ccc(cc3)C(F)(F)F)C(CCc2c1)NC(=O)Nc1cccc2cnccc12 |w:5.5,17.24|
Show InChI InChI=1S/C28H23F4N3O/c29-21-9-10-22-18(15-21)6-11-26(24(22)14-17-4-7-20(8-5-17)28(30,31)32)35-27(36)34-25-3-1-2-19-16-33-13-12-23(19)25/h1-5,7-10,12-13,15-16,24,26H,6,11,14H2,(H2,34,35,36)
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50147080
PNG
(3-(4-tert-Butyl-phenyl)-N-isoquinolin-5-yl-acrylam...)
Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C22H22N2O/c1-22(2,3)18-10-7-16(8-11-18)9-12-21(25)24-20-6-4-5-17-15-23-14-13-19(17)20/h4-15H,1-3H3,(H,24,25)/b12-9+
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1.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane, as inhibition of agonist-induced intracellular [C...


Bioorg Med Chem Lett 14: 3053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.038
BindingDB Entry DOI: 10.7270/Q2FB52D6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50147067
PNG
(1-[2-(4-tert-Butyl-phenyl)-ethyl]-3-isoquinolin-5-...)
Show SMILES CC(C)(C)c1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C22H25N3O/c1-22(2,3)18-9-7-16(8-10-18)11-14-24-21(26)25-20-6-4-5-17-15-23-13-12-19(17)20/h4-10,12-13,15H,11,14H2,1-3H3,(H2,24,25,26)
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1.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand.


Bioorg Med Chem Lett 14: 3053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.038
BindingDB Entry DOI: 10.7270/Q2FB52D6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50147063
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethoxy-benzyl)-u...)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O2/c19-18(20,21)26-14-6-4-12(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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1.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand.


Bioorg Med Chem Lett 14: 3053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.038
BindingDB Entry DOI: 10.7270/Q2FB52D6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50147077
PNG
(1-(3,5-Bis-trifluoromethyl-phenyl)-3-isoquinolin-5...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2cccc3cnccc23)cc(c1)C(F)(F)F
Show InChI InChI=1S/C18H11F6N3O/c19-17(20,21)11-6-12(18(22,23)24)8-13(7-11)26-16(28)27-15-3-1-2-10-9-25-5-4-14(10)15/h1-9H,(H2,26,27,28)
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1.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane, as inhibition of agonist-induced intracellular [C...


Bioorg Med Chem Lett 14: 3053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.038
BindingDB Entry DOI: 10.7270/Q2FB52D6
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085680
PNG
(4-(6,7-Dihydro-benzo[b]thiophen-4-yl)-1H-imidazole...)
Show SMILES C1Cc2sccc2C(=C1)c1cnc[nH]1 |c:8|
Show InChI InChI=1S/C11H10N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h2,4-7H,1,3H2,(H,12,13)
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1.5n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


J Med Chem 43: 1423-6 (2001)


BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085680
PNG
(4-(6,7-Dihydro-benzo[b]thiophen-4-yl)-1H-imidazole...)
Show SMILES C1Cc2sccc2C(=C1)c1cnc[nH]1 |c:8|
Show InChI InChI=1S/C11H10N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h2,4-7H,1,3H2,(H,12,13)
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1.5n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


J Med Chem 43: 765-8 (2000)


BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223330
PNG
(1-(1-allyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2...)
Show SMILES Fc1ccc2C(CC=C)C(CCc2c1)NC(=O)Nc1cccc2cnccc12 |w:5.5,9.15|
Show InChI InChI=1S/C23H22FN3O/c1-2-4-20-18-9-8-17(24)13-15(18)7-10-22(20)27-23(28)26-21-6-3-5-16-14-25-12-11-19(16)21/h2-3,5-6,8-9,11-14,20,22H,1,4,7,10H2,(H2,26,27,28)
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223331
PNG
(1-(1-benzyl-6-bromo-1,2,3,4-tetrahydronaphthalen-2...)
Show SMILES Brc1ccc2C(Cc3ccccc3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12 |w:5.5,13.20|
Show InChI InChI=1S/C27H24BrN3O/c28-21-10-11-22-19(16-21)9-12-26(24(22)15-18-5-2-1-3-6-18)31-27(32)30-25-8-4-7-20-17-29-14-13-23(20)25/h1-8,10-11,13-14,16-17,24,26H,9,12,15H2,(H2,30,31,32)
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223328
PNG
(1-(1-benzyl-5-chloro-1,2,3,4-tetrahydronaphthalen-...)
Show SMILES Clc1cccc2C(Cc3ccccc3)C(CCc12)NC(=O)Nc1cccc2cnccc12 |w:6.6,14.20|
Show InChI InChI=1S/C27H24ClN3O/c28-24-10-5-9-21-22(24)12-13-26(23(21)16-18-6-2-1-3-7-18)31-27(32)30-25-11-4-8-19-17-29-15-14-20(19)25/h1-11,14-15,17,23,26H,12-13,16H2,(H2,30,31,32)
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223338
PNG
(1-(1-(4-(trifluoromethyl)benzyl)-6-methoxy-1,2,3,4...)
Show SMILES COc1ccc2C(Cc3ccc(cc3)C(F)(F)F)C(CCc2c1)NC(=O)Nc1cccc2cnccc12 |w:6.6,18.25|
Show InChI InChI=1S/C29H26F3N3O2/c1-37-22-10-11-23-19(16-22)7-12-27(25(23)15-18-5-8-21(9-6-18)29(30,31)32)35-28(36)34-26-4-2-3-20-17-33-14-13-24(20)26/h2-6,8-11,13-14,16-17,25,27H,7,12,15H2,1H3,(H2,34,35,36)
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223321
PNG
(1-(1-(3-chlorobenzyl)-6-methoxy-1,2,3,4-tetrahydro...)
Show SMILES COc1ccc2C(Cc3cccc(Cl)c3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12 |w:6.6,15.22|
Show InChI InChI=1S/C28H26ClN3O2/c1-34-22-9-10-23-19(16-22)8-11-27(25(23)15-18-4-2-6-21(29)14-18)32-28(33)31-26-7-3-5-20-17-30-13-12-24(20)26/h2-7,9-10,12-14,16-17,25,27H,8,11,15H2,1H3,(H2,31,32,33)
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085681
PNG
(4-Benzo[b]thiophen-4-yl-1H-imidazole | CHEMBL30534)
Show SMILES c1cc2c(cccc2s1)-c1c[nH]cn1
Show InChI InChI=1S/C11H8N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h1-7H,(H,12,13)
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2.60n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


J Med Chem 43: 1423-6 (2001)


BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085681
PNG
(4-Benzo[b]thiophen-4-yl-1H-imidazole | CHEMBL30534)
Show SMILES c1cc2c(cccc2s1)-c1c[nH]cn1
Show InChI InChI=1S/C11H8N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h1-7H,(H,12,13)
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2.60n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


J Med Chem 43: 765-8 (2000)


BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085676
PNG
(4-(1,3-Dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophe...)
Show SMILES Cc1sc(C)c2C(CCCc12)c1cnc[nH]1
Show InChI InChI=1S/C13H16N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h6-7,11H,3-5H2,1-2H3,(H,14,15)
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2.90n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


J Med Chem 43: 765-8 (2000)


BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085676
PNG
(4-(1,3-Dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophe...)
Show SMILES Cc1sc(C)c2C(CCCc12)c1cnc[nH]1
Show InChI InChI=1S/C13H16N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h6-7,11H,3-5H2,1-2H3,(H,14,15)
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2.90n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


J Med Chem 43: 1423-6 (2001)


BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223333
PNG
(1-(1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen...)
Show SMILES COc1ccc2C(Cc3ccccc3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12 |w:6.6,14.21|
Show InChI InChI=1S/C28H27N3O2/c1-33-22-11-12-23-20(17-22)10-13-27(25(23)16-19-6-3-2-4-7-19)31-28(32)30-26-9-5-8-21-18-29-15-14-24(21)26/h2-9,11-12,14-15,17-18,25,27H,10,13,16H2,1H3,(H2,30,31,32)
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3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085682
PNG
(4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole...)
Show SMILES C1Cc2ccsc2C(=C1)c1cnc[nH]1 |c:8|
Show InChI InChI=1S/C11H10N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h3-7H,1-2H2,(H,12,13)
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3n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


J Med Chem 43: 765-8 (2000)


BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085682
PNG
(4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole...)
Show SMILES C1Cc2ccsc2C(=C1)c1cnc[nH]1 |c:8|
Show InChI InChI=1S/C11H10N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h3-7H,1-2H2,(H,12,13)
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3n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


J Med Chem 43: 1423-6 (2001)


BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50126226
PNG
(3-[5-(4-Cyano-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-...)
Show SMILES CN(C(=O)CCc1ccc(C(=O)c2ccc(cc2)C#N)n1C)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C34H28Cl2N4O3/c1-21-7-10-23-5-4-6-30(33(23)38-21)43-20-26-27(35)15-17-28(32(26)36)40(3)31(41)18-14-25-13-16-29(39(25)2)34(42)24-11-8-22(19-37)9-12-24/h4-13,15-17H,14,18,20H2,1-3H3
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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human bradykinin receptor B2


Bioorg Med Chem Lett 13: 1341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HM57T1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50147060
PNG
(3-[4-(1,1-Dimethyl-propyl)-phenyl]-N-isoquinolin-5...)
Show SMILES CCC(C)(C)c1ccc(CCC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C23H26N2O/c1-4-23(2,3)19-11-8-17(9-12-19)10-13-22(26)25-21-7-5-6-18-16-24-15-14-20(18)21/h5-9,11-12,14-16H,4,10,13H2,1-3H3,(H,25,26)
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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand.


Bioorg Med Chem Lett 14: 3053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.038
BindingDB Entry DOI: 10.7270/Q2FB52D6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223335
PNG
(1-(1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(...)
Show SMILES O=C(NC1CCc2ccccc2C1Cc1ccccc1)Nc1cccc2cnccc12 |w:12.14,3.2|
Show InChI InChI=1S/C27H25N3O/c31-27(29-25-12-6-10-21-18-28-16-15-23(21)25)30-26-14-13-20-9-4-5-11-22(20)24(26)17-19-7-2-1-3-8-19/h1-12,15-16,18,24,26H,13-14,17H2,(H2,29,30,31)
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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223340
PNG
(1-(1-benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-...)
Show SMILES Fc1ccc2C(Cc3ccccc3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12 |w:5.5,13.20|
Show InChI InChI=1S/C27H24FN3O/c28-21-10-11-22-19(16-21)9-12-26(24(22)15-18-5-2-1-3-6-18)31-27(32)30-25-8-4-7-20-17-29-14-13-23(20)25/h1-8,10-11,13-14,16-17,24,26H,9,12,15H2,(H2,30,31,32)
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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223323
PNG
(1-(isoquinolin-5-yl)-3-(3-phenyl-2-(4-(trifluorome...)
Show SMILES FC(F)(F)c1ccc(cc1)C(CNC(=O)Nc1cccc2cnccc12)Cc1ccccc1 |w:10.11|
Show InChI InChI=1S/C26H22F3N3O/c27-26(28,29)22-11-9-19(10-12-22)21(15-18-5-2-1-3-6-18)17-31-25(33)32-24-8-4-7-20-16-30-14-13-23(20)24/h1-14,16,21H,15,17H2,(H2,31,32,33)
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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223315
PNG
(1-(6-fluoro-1-(thiophen-2-ylmethyl)-1,2,3,4-tetrah...)
Show SMILES Fc1ccc2C(Cc3cccs3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12 |w:5.5,12.19|
Show InChI InChI=1S/C25H22FN3OS/c26-18-7-8-20-16(13-18)6-9-24(22(20)14-19-4-2-12-31-19)29-25(30)28-23-5-1-3-17-15-27-11-10-21(17)23/h1-5,7-8,10-13,15,22,24H,6,9,14H2,(H2,28,29,30)
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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085683
PNG
((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...)
Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
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5n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
in vitro alpha-2A adrenergic receptor binding assay from rats ,using RX 821002 as the displaceable ligand


J Med Chem 43: 1423-6 (2001)


BindingDB Entry DOI: 10.7270/Q2C828HK
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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5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand.


Bioorg Med Chem Lett 14: 3053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.038
BindingDB Entry DOI: 10.7270/Q2FB52D6
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50085683
PNG
((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...)
Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
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5n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested for Binding affinity towards alpha-1 adrenergic receptor


J Med Chem 43: 765-8 (2000)


BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223316
PNG
(1-(1-benzyl-7-chloro-1,2,3,4-tetrahydronaphthalen-...)
Show SMILES Clc1ccc2CCC(NC(=O)Nc3cccc4cnccc34)C(Cc3ccccc3)c2c1 |w:22.24,7.7|
Show InChI InChI=1S/C27H24ClN3O/c28-21-11-9-19-10-12-26(24(23(19)16-21)15-18-5-2-1-3-6-18)31-27(32)30-25-8-4-7-20-17-29-14-13-22(20)25/h1-9,11,13-14,16-17,24,26H,10,12,15H2,(H2,30,31,32)
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5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50147081
PNG
(1-Isoquinolin-5-yl-3-[2-(4-trifluoromethoxy-phenyl...)
Show SMILES FC(F)(F)Oc1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C19H16F3N3O2/c20-19(21,22)27-15-6-4-13(5-7-15)8-11-24-18(26)25-17-3-1-2-14-12-23-10-9-16(14)17/h1-7,9-10,12H,8,11H2,(H2,24,25,26)
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6n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand.


Bioorg Med Chem Lett 14: 3053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.038
BindingDB Entry DOI: 10.7270/Q2FB52D6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223337
PNG
(1-(isoquinolin-5-yl)-3-(2-(4-methoxyphenyl)-3-phen...)
Show SMILES COc1ccc(cc1)C(CNC(=O)Nc1cccc2cnccc12)Cc1ccccc1 |w:8.9|
Show InChI InChI=1S/C26H25N3O2/c1-31-23-12-10-20(11-13-23)22(16-19-6-3-2-4-7-19)18-28-26(30)29-25-9-5-8-21-17-27-15-14-24(21)25/h2-15,17,22H,16,18H2,1H3,(H2,28,29,30)
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6n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223334
PNG
(1-(1-(4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydr...)
Show SMILES COc1ccc(CC2C(CCc3cc(OC)ccc23)NC(=O)Nc2cccc3cnccc23)cc1 |w:7.6,8.20|
Show InChI InChI=1S/C29H29N3O3/c1-34-22-9-6-19(7-10-22)16-26-24-12-11-23(35-2)17-20(24)8-13-28(26)32-29(33)31-27-5-3-4-21-18-30-15-14-25(21)27/h3-7,9-12,14-15,17-18,26,28H,8,13,16H2,1-2H3,(H2,31,32,33)
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8n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223339
PNG
(1-(2-(4-fluorophenyl)-3-phenylpropyl)-3-(isoquinol...)
Show SMILES Fc1ccc(cc1)C(CNC(=O)Nc1cccc2cnccc12)Cc1ccccc1 |w:7.8|
Show InChI InChI=1S/C25H22FN3O/c26-22-11-9-19(10-12-22)21(15-18-5-2-1-3-6-18)17-28-25(30)29-24-8-4-7-20-16-27-14-13-23(20)24/h1-14,16,21H,15,17H2,(H2,28,29,30)
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8n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50376255
PNG
(CHEMBL408401)
Show SMILES CN(C1CCCCC1)c1ccc(cc1)C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C23H25N3O/c1-26(20-8-3-2-4-9-20)21-13-11-17(12-14-21)23(27)25-19-15-18-7-5-6-10-22(18)24-16-19/h5-7,10-16,20H,2-4,8-9H2,1H3,(H,25,27)
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8n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2730-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.075
BindingDB Entry DOI: 10.7270/Q27H1KF6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50147082
PNG
(1-(3,4-Dichloro-benzyl)-3-isoquinolin-5-yl-urea | ...)
Show SMILES Clc1ccc(CNC(=O)Nc2cccc3cnccc23)cc1Cl
Show InChI InChI=1S/C17H13Cl2N3O/c18-14-5-4-11(8-15(14)19)9-21-17(23)22-16-3-1-2-12-10-20-7-6-13(12)16/h1-8,10H,9H2,(H2,21,22,23)
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9n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane, as inhibition of agonist-induced intracellular [C...


Bioorg Med Chem Lett 14: 3053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.038
BindingDB Entry DOI: 10.7270/Q2FB52D6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223329
PNG
(1-(1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen...)
Show SMILES COc1ccc2C(Cc3ccccc3)C(CCc2c1)NC(=O)Nc1cccc2ccc(O)cc12 |w:6.6,14.21|
Show InChI InChI=1S/C29H28N2O3/c1-34-23-13-14-24-21(17-23)11-15-28(26(24)16-19-6-3-2-4-7-19)31-29(33)30-27-9-5-8-20-10-12-22(32)18-25(20)27/h2-10,12-14,17-18,26,28,32H,11,15-16H2,1H3,(H2,30,31,33)
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10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
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