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Compile Data Set for Download or QSAR

Found 1349 hits with Last Name = 'flores' and Initial = 'c'   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50178623
PNG
(CHEMBL110365 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
Show InChI InChI=1S/C29H33N3O2/c1-34-28-11-5-4-10-27(28)32-18-16-31(17-19-32)15-7-6-14-30-29(33)23-12-13-26-24(21-23)20-22-8-2-3-9-25(22)26/h2-5,8-13,21H,6-7,14-20H2,1H3,(H,30,33)
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0.300n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50129426
PNG
(CHEMBL69451 | N-(4-(4-(2,3-dichlorophenyl)piperazi...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
Show InChI InChI=1S/C26H28Cl2N4O/c27-22-6-5-8-24(25(22)28)32-18-16-31(17-19-32)15-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-2,5-13H,3-4,14-19H2,(H,30,33)
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0.400n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219103
PNG
(CHEMBL241973 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccn2)CC1
Show InChI InChI=1S/C27H32N4O2/c1-33-26-10-3-2-9-25(26)31-20-18-30(19-21-31)17-7-6-16-29-27(32)23-13-11-22(12-14-23)24-8-4-5-15-28-24/h2-5,8-15H,6-7,16-21H2,1H3,(H,29,32)
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0.400n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219111
PNG
(CHEMBL390253 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1ccc(cc1)-c1ccccn1 |w:1.0|
Show InChI InChI=1S/C26H28Cl2N4O2/c27-22-4-3-6-24(25(22)28)32-16-14-31(15-17-32)13-11-21(33)18-30-26(34)20-9-7-19(8-10-20)23-5-1-2-12-29-23/h1-10,12,21,33H,11,13-18H2,(H,30,34)
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0.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219117
PNG
(CHEMBL244562 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3cccc(=O)[nH]3)CC2)c1Cl
Show InChI InChI=1S/C26H26Cl2N4O2/c27-21-5-3-7-23(25(21)28)32-17-15-31(16-18-32)14-2-1-13-29-26(34)20-11-9-19(10-12-20)22-6-4-8-24(33)30-22/h1-12H,13-18H2,(H,29,34)(H,30,33)/b2-1+
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0.600n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161214
PNG
(CHEMBL180010 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
Show InChI InChI=1S/C26H26Cl2N4O/c27-22-6-5-8-24(25(22)28)32-18-16-31(17-19-32)15-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-13H,14-19H2,(H,30,33)/b4-3+
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0.700n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
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))
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))
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219112
PNG
(CHEMBL231156 | N-(2-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(C[C@H]3C[C@@H]3CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
Show InChI InChI=1S/C27H28Cl2N4O/c28-23-4-3-6-25(26(23)29)33-14-12-32(13-15-33)18-22-16-21(22)17-31-27(34)20-9-7-19(8-10-20)24-5-1-2-11-30-24/h1-11,21-22H,12-18H2,(H,31,34)/t21-,22-/m1/s1
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1n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219108
PNG
(CHEMBL244774 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES [O-][n+]1ccccc1-c1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H26Cl2N4O2/c27-22-6-5-8-24(25(22)28)31-18-16-30(17-19-31)14-4-2-13-29-26(33)21-11-9-20(10-12-21)23-7-1-3-15-32(23)34/h1-12,15H,13-14,16-19H2,(H,29,33)/b4-2+
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1.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219113
PNG
(CHEMBL244989 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(C\C=C\CNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
Show InChI InChI=1S/C29H31N3O2/c1-34-28-11-5-4-10-27(28)32-18-16-31(17-19-32)15-7-6-14-30-29(33)23-12-13-26-24(21-23)20-22-8-2-3-9-25(22)26/h2-13,21H,14-20H2,1H3,(H,30,33)/b7-6+
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1.20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219115
PNG
(CHEMBL231055 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCC(O)CNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1 |w:14.15|
Show InChI InChI=1S/C29H33N3O3/c1-35-28-9-5-4-8-27(28)32-16-14-31(15-17-32)13-12-24(33)20-30-29(34)22-10-11-26-23(19-22)18-21-6-2-3-7-25(21)26/h2-11,19,24,33H,12-18,20H2,1H3,(H,30,34)
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1.30n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219102
PNG
(CHEMBL398175 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Cc1cccc(n1)-c1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C27H28Cl2N4O/c1-20-6-4-8-24(31-20)21-10-12-22(13-11-21)27(34)30-14-2-3-15-32-16-18-33(19-17-32)25-9-5-7-23(28)26(25)29/h2-13H,14-19H2,1H3,(H,30,34)/b3-2+
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1.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50129429
PNG
(9H-Fluorene-2-carboxylic acid {(E)-4-[4-(2,3-dichl...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H27Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-11,19H,12-18H2,(H,31,34)/b4-3+
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1.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219114
PNG
(CHEMBL244773 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Cc1cccnc1-c1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C27H28Cl2N4O/c1-20-6-5-14-30-26(20)21-9-11-22(12-10-21)27(34)31-13-2-3-15-32-16-18-33(19-17-32)24-8-4-7-23(28)25(24)29/h2-12,14H,13,15-19H2,1H3,(H,31,34)/b3-2+
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1.60n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219116
PNG
(CHEMBL396024 | N-(3-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES OC(CCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)CN1CCN(CC1)c1cccc(Cl)c1Cl |w:1.0|
Show InChI InChI=1S/C28H29Cl2N3O2/c29-25-6-3-7-26(27(25)30)33-14-12-32(13-15-33)18-22(34)10-11-31-28(35)20-8-9-24-21(17-20)16-19-4-1-2-5-23(19)24/h1-9,17,22,34H,10-16,18H2,(H,31,35)
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1.80n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219101
PNG
(CHEMBL242218 | N-(3-hydroxy-4-(4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1 |w:13.14|
Show InChI InChI=1S/C29H33N3O3/c1-35-28-9-5-4-8-27(28)32-16-14-31(15-17-32)20-24(33)12-13-30-29(34)22-10-11-26-23(19-22)18-21-6-2-3-7-25(21)26/h2-11,19,24,33H,12-18,20H2,1H3,(H,30,34)
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1.80n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
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
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))
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219118
PNG
(CHEMBL394862 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1ccc-2c(Cc3ccccc-23)c1 |w:1.0|
Show InChI InChI=1S/C28H29Cl2N3O2/c29-25-6-3-7-26(27(25)30)33-14-12-32(13-15-33)11-10-22(34)18-31-28(35)20-8-9-24-21(17-20)16-19-4-1-2-5-23(19)24/h1-9,17,22,34H,10-16,18H2,(H,31,35)
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2.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219105
PNG
(CHEMBL242644 | N-(3-hydroxy-4-(4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1 |w:13.14|
Show InChI InChI=1S/C27H32N4O3/c1-34-26-8-3-2-7-25(26)31-18-16-30(17-19-31)20-23(32)13-15-29-27(33)22-11-9-21(10-12-22)24-6-4-5-14-28-24/h2-12,14,23,32H,13,15-20H2,1H3,(H,29,33)
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2.80n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219107
PNG
(CHEMBL394541 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(C\C=C\CNC(=O)c2ccc(cc2)-c2ccccn2)CC1
Show InChI InChI=1S/C27H30N4O2/c1-33-26-10-3-2-9-25(26)31-20-18-30(19-21-31)17-7-6-16-29-27(32)23-13-11-22(12-14-23)24-8-4-5-15-28-24/h2-15H,16-21H2,1H3,(H,29,32)/b7-6+
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2.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219110
PNG
(CHEMBL244990 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES OC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl |w:1.0|
Show InChI InChI=1S/C26H28Cl2N4O2/c27-22-4-3-6-24(25(22)28)32-16-14-31(15-17-32)18-21(33)11-13-30-26(34)20-9-7-19(8-10-20)23-5-1-2-12-29-23/h1-10,12,21,33H,11,13-18H2,(H,30,34)
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3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
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
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))
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
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))
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))
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))
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))
BDBM50086717
PNG
(JNJ-39439335 | Mavatrep)
Show SMILES CC(C)(O)c1ccccc1-c1ccc2[nH]c(\C=C\c3ccc(cc3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C25H21F3N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28/h3-15,31H,1-2H3,(H,29,30)/b14-9+
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6.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-RTX from human TRPV1 transfected in HEK293 cells after 60 mins by scintillation spectroscopic analysis


J Med Chem 58: 3859-74 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00132
BindingDB Entry DOI: 10.7270/Q2154JS3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50219103
PNG
(CHEMBL241973 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccn2)CC1
Show InChI InChI=1S/C27H32N4O2/c1-33-26-10-3-2-9-25(26)31-20-18-30(19-21-31)17-7-6-16-29-27(32)23-13-11-22(12-14-23)24-8-4-5-15-28-24/h2-5,8-15H,6-7,16-21H2,1H3,(H,29,32)
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6.71n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1A receptor


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
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))
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))
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))
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50219117
PNG
(CHEMBL244562 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3cccc(=O)[nH]3)CC2)c1Cl
Show InChI InChI=1S/C26H26Cl2N4O2/c27-21-5-3-7-23(25(21)28)32-17-15-31(16-18-32)14-2-1-13-29-26(34)20-11-9-19(10-12-20)22-6-4-8-24(33)30-22/h1-12H,13-18H2,(H,29,34)(H,30,33)/b2-1+
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10.6n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223319
PNG
(1-(1-benzyl-6-chloro-1,2,3,4-tetrahydronaphthalen-...)
Show SMILES Clc1ccc2C(Cc3ccccc3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12 |w:5.5,13.20|
Show InChI InChI=1S/C27H24ClN3O/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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11n/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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219109
PNG
(1-(4-(2,3-dichlorophenyl)piperazin-1-yl)-4-(4-(pyr...)
Show SMILES CC(=O)OC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl |w:4.23|
Show InChI InChI=1S/C28H30Cl2N4O3/c1-20(35)37-23(19-33-15-17-34(18-16-33)26-7-4-5-24(29)27(26)30)12-14-32-28(36)22-10-8-21(9-11-22)25-6-2-3-13-31-25/h2-11,13,23H,12,14-19H2,1H3,(H,32,36)
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11.7n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50376256
PNG
(CHEMBL259017)
Show SMILES CCCCCCCCN(C)c1ccc(cc1)C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C25H31N3O/c1-3-4-5-6-7-10-17-28(2)23-15-13-20(14-16-23)25(29)27-22-18-21-11-8-9-12-24(21)26-19-22/h8-9,11-16,18-19H,3-7,10,17H2,1-2H3,(H,27,29)
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15n/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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50219111
PNG
(CHEMBL390253 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1ccc(cc1)-c1ccccn1 |w:1.0|
Show InChI InChI=1S/C26H28Cl2N4O2/c27-22-4-3-6-24(25(22)28)32-16-14-31(15-17-32)13-11-21(33)18-30-26(34)20-9-7-19(8-10-20)23-5-1-2-12-29-23/h1-10,12,21,33H,11,13-18H2,(H,30,34)
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15.1n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1A receptor


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50219111
PNG
(CHEMBL390253 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1ccc(cc1)-c1ccccn1 |w:1.0|
Show InChI InChI=1S/C26H28Cl2N4O2/c27-22-4-3-6-24(25(22)28)32-16-14-31(15-17-32)13-11-21(33)18-30-26(34)20-9-7-19(8-10-20)23-5-1-2-12-29-23/h1-10,12,21,33H,11,13-18H2,(H,30,34)
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15.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50219117
PNG
(CHEMBL244562 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3cccc(=O)[nH]3)CC2)c1Cl
Show InChI InChI=1S/C26H26Cl2N4O2/c27-21-5-3-7-23(25(21)28)32-17-15-31(16-18-32)14-2-1-13-29-26(34)20-11-9-19(10-12-20)22-6-4-8-24(33)30-22/h1-12H,13-18H2,(H,29,34)(H,30,33)/b2-1+
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15.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50376268
PNG
(CHEMBL405387)
Show SMILES CN(CC1CCCCC1)c1ccc(cc1)C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C24H27N3O/c1-27(17-18-7-3-2-4-8-18)22-13-11-19(12-14-22)24(28)26-21-15-20-9-5-6-10-23(20)25-16-21/h5-6,9-16,18H,2-4,7-8,17H2,1H3,(H,26,28)
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16n/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))
BDBM50223312
PNG
(1-(6-fluoro-1-(furan-3-ylmethyl)-1,2,3,4-tetrahydr...)
Show SMILES Fc1ccc2C(Cc3ccoc3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12 |w:5.5,12.19|
Show InChI InChI=1S/C25H22FN3O2/c26-19-5-6-20-17(13-19)4-7-24(22(20)12-16-9-11-31-15-16)29-25(30)28-23-3-1-2-18-14-27-10-8-21(18)23/h1-3,5-6,8-11,13-15,22,24H,4,7,12H2,(H2,28,29,30)
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16n/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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