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Compile Data Set for Download or QSAR

Found 8905 hits with Last Name = 'bennett' and Initial = 'j'   
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]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL 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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0.0150n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor in rat


J Med Chem 42: 5064-71 (1999)


Article DOI: 10.1021/jm990005a
BindingDB Entry DOI: 10.7270/Q2F76G95
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50029246
PNG
(1-[5-(4-Benzofuran-7-yl-piperazin-1-ylmethyl)-thio...)
Show SMILES O=C1CCCCN1Cc1ccc(CN2CCN(CC2)c2cccc3ccoc23)s1
Show InChI InChI=1S/C23H27N3O2S/c27-22-6-1-2-10-26(22)17-20-8-7-19(29-20)16-24-11-13-25(14-12-24)21-5-3-4-18-9-15-28-23(18)21/h3-5,7-9,15H,1-2,6,10-14,16-17H2
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0.0700n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101


J Med Chem 38: 4198-210 (1995)


BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50512416
PNG
(CHEMBL4447162)
Show SMILES Nc1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCCCCn3cc(CCCCN4CCC(CC4)c4ccc(cc4)-c4cc(cc5cc(ccc45)-c4ccc(cc4)C(F)(F)F)C(O)=O)nn3)c3ccc(=N)c(c3oc2c1S(O)(=O)=O)S(O)(=O)=O |(41.72,-13.14,;41.86,-14.67,;40.6,-15.57,;40.74,-17.1,;42.13,-17.74,;42.28,-19.27,;41.03,-20.17,;41.18,-21.7,;39.93,-22.59,;38.53,-21.95,;38.38,-20.42,;39.63,-19.53,;39.47,-17.99,;37.94,-17.87,;39.87,-16.5,;37.28,-22.84,;37.42,-24.37,;35.88,-22.2,;34.62,-23.09,;33.22,-22.45,;31.97,-23.35,;30.57,-22.71,;29.31,-23.6,;27.91,-22.96,;26.66,-23.85,;25.2,-23.36,;24.28,-24.6,;22.74,-24.59,;21.98,-23.25,;20.44,-23.23,;19.69,-21.89,;18.15,-21.87,;17.36,-23.2,;15.83,-23.18,;15.07,-21.84,;15.84,-20.51,;17.39,-20.53,;13.54,-21.84,;12.76,-23.17,;11.22,-23.15,;10.46,-21.81,;11.23,-20.49,;12.77,-20.49,;8.92,-21.8,;8.16,-20.45,;6.61,-20.45,;5.83,-21.78,;6.59,-23.12,;5.82,-24.44,;6.58,-25.78,;8.12,-25.8,;8.9,-24.47,;8.14,-23.13,;5.79,-27.1,;4.25,-27.09,;3.47,-28.41,;4.23,-29.76,;5.78,-29.76,;6.55,-28.44,;3.45,-31.08,;1.91,-31.07,;4.21,-32.42,;2.67,-32.41,;5.84,-19.11,;4.3,-19.1,;6.62,-17.78,;25.17,-25.85,;26.64,-25.39,;43.68,-19.91,;43.82,-21.43,;45.21,-22.07,;46.46,-21.19,;47.86,-21.84,;46.33,-19.66,;44.93,-19.02,;44.8,-17.49,;43.39,-16.85,;43.26,-15.32,;44.51,-14.44,;45.91,-15.09,;43.74,-13.1,;45.28,-13.09,;47.58,-18.77,;48.98,-19.41,;46.8,-17.43,;48.35,-17.43,)|
Show InChI InChI=1S/C62H58F3N7O12S2/c63-62(64,65)44-16-12-37(13-17-44)40-14-18-46-42(31-40)32-43(60(74)75)34-50(46)39-10-8-36(9-11-39)38-24-29-71(30-25-38)27-6-3-7-45-35-72(70-69-45)28-5-2-1-4-26-68-59(73)41-15-19-47(51(33-41)61(76)77)54-48-20-22-52(66)57(85(78,79)80)55(48)84-56-49(54)21-23-53(67)58(56)86(81,82)83/h8-23,31-35,38,66H,1-7,24-30,67H2,(H,68,73)(H,74,75)(H,76,77)(H,78,79,80)(H,81,82,83)
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0.0800n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of human P2Y14R


J Med Chem 63: 9563-9589 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00745
BindingDB Entry DOI: 10.7270/Q20R9SZP
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50604026
PNG
(CHEMBL5192384)
Show SMILES CC(C)(O)c1cc(ncc1-c1ccc(cc1)C1(COC1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
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0.110n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01670
BindingDB Entry DOI: 10.7270/Q2VH5SX2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50029326
PNG
(8-{3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CC4(CCCC4)CC3=O)c2)CC1
Show InChI InChI=1S/C30H39N3O3/c1-23(2)36-27-11-4-3-10-26(27)32-16-14-31(15-17-32)21-24-8-7-9-25(18-24)22-33-28(34)19-30(20-29(33)35)12-5-6-13-30/h3-4,7-11,18,23H,5-6,12-17,19-22H2,1-2H3
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0.130n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity against the 5-hydroxytryptamine receptor 1A using [3H]WB-4101.


J Med Chem 38: 4211-22 (1995)


BindingDB Entry DOI: 10.7270/Q2C53MH2
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50604023
PNG
(CHEMBL5192977)
Show SMILES OCc1cc(ncc1-c1ccc(cc1)C1(COC1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
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0.150n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01670
BindingDB Entry DOI: 10.7270/Q2VH5SX2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50029257
PNG
((3-((4-(2-isopropoxyphenyl)piperazin-1-yl)methyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C26H35N3O2/c1-21(2)31-25-12-5-4-11-24(25)28-17-15-27(16-18-28)20-22-9-8-10-23(19-22)26(30)29-13-6-3-7-14-29/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1A adrenergic receptors using alpha1A ligand WB4101


J Med Chem 37: 1060-2 (1994)


BindingDB Entry DOI: 10.7270/Q23R0RXB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.200n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Dopamine receptor D2 using [3H]spiperone


J Med Chem 38: 4198-210 (1995)


BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50029262
PNG
(Pentanoic acid {5-[4-(2-isopropoxy-phenyl)-piperaz...)
Show SMILES CCCCC(=O)N(C)Cc1ccc(CN2CCN(CC2)c2ccccc2OC(C)C)n1C
Show InChI InChI=1S/C26H40N4O2/c1-6-7-12-26(31)27(4)19-22-13-14-23(28(22)5)20-29-15-17-30(18-16-29)24-10-8-9-11-25(24)32-21(2)3/h8-11,13-14,21H,6-7,12,15-20H2,1-5H3
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0.25n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101


J Med Chem 38: 4198-210 (1995)


BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161235
PNG
(CHEMBL179351 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3ncc[nH]3)CC2)c1Cl
Show InChI InChI=1S/C24H25Cl2N5O/c25-20-4-3-5-21(22(20)26)31-16-14-30(15-17-31)13-2-1-10-29-24(32)19-8-6-18(7-9-19)23-27-11-12-28-23/h1-9,11-12H,10,13-17H2,(H,27,28)(H,29,32)/b2-1+
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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
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.370n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine D2 receptors in rat brain synaptosomal preparations


J Med Chem 37: 1060-2 (1994)


BindingDB Entry DOI: 10.7270/Q23R0RXB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161217
PNG
(CHEMBL195057 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES Oc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-18-4-3-5-19(20(18)23)26-14-12-25(13-15-26)11-2-1-10-24-21(28)16-6-8-17(27)9-7-16/h1-9,27H,10-15H2,(H,24,28)/b2-1+
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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
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50029268
PNG
(Azepan-1-yl-{5-[4-(2-isopropoxy-phenyl)-piperazin-...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(cs2)C(=O)N2CCCCCC2)CC1
Show InChI InChI=1S/C25H35N3O2S/c1-20(2)30-24-10-6-5-9-23(24)27-15-13-26(14-16-27)18-22-17-21(19-31-22)25(29)28-11-7-3-4-8-12-28/h5-6,9-10,17,19-20H,3-4,7-8,11-16,18H2,1-2H3
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0.410n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101


J Med Chem 38: 4198-210 (1995)


BindingDB Entry DOI: 10.7270/Q2GX4C61
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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0.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161238
PNG
(CHEMBL179960 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3cccnc3)CC2)c1Cl
Show InChI InChI=1S/C26H28Cl2N4O/c27-23-6-3-7-24(25(23)28)32-17-15-31(16-18-32)14-2-1-13-30-26(33)21-10-8-20(9-11-21)22-5-4-12-29-19-22/h3-12,19H,1-2,13-18H2,(H,30,33)
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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
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
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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0.600n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity towards rat Dopamine receptor D3 in Sf9 cells expressing in recombinant baculovirus (Bv) using [125I]-IABN as radioligand


Bioorg Med Chem Lett 13: 2179-83 (2003)


BindingDB Entry DOI: 10.7270/Q21Z43SN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161218
PNG
(CHEMBL414839 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES COc1ccccc1C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c1-29-20-10-3-2-7-17(20)22(28)25-11-4-5-12-26-13-15-27(16-14-26)19-9-6-8-18(23)21(19)24/h2-10H,11-16H2,1H3,(H,25,28)/b5-4+
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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
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50029280
PNG
(CHEMBL544371 | [5-(4-Benzofuran-7-yl-piperazin-1-y...)
Show SMILES O=C(N1CCCCC1)c1ccc(CN2CCN(CC2)c2cccc3ccoc23)s1
Show InChI InChI=1S/C23H27N3O2S/c27-23(26-10-2-1-3-11-26)21-8-7-19(29-21)17-24-12-14-25(15-13-24)20-6-4-5-18-9-16-28-22(18)20/h4-9,16H,1-3,10-15,17H2
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0.630n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101


J Med Chem 38: 4198-210 (1995)


BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161221
PNG
(CHEMBL194493 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-p...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H22Cl2N4O3/c22-18-4-3-5-19(20(18)23)26-14-12-25(13-15-26)11-2-1-10-24-21(28)16-6-8-17(9-7-16)27(29)30/h1-9H,10-15H2,(H,24,28)/b2-1+
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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
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
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
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161230
PNG
(CHEMBL372022 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES Oc1ccccc1C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-17-7-5-8-18(20(17)23)26-14-12-25(13-15-26)11-4-3-10-24-21(28)16-6-1-2-9-19(16)27/h1-9,27H,10-15H2,(H,24,28)/b4-3+
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0.800n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119384
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2,3-dichloro-p...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O2/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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0.800n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50129433
PNG
(CHEMBL71327 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-pi...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4+
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0.800n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50001869
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C25H36N4O2/c1-20(2)31-24-9-5-4-8-23(24)28-16-14-27(15-17-28)18-21-11-12-22(26(21)3)19-29-13-7-6-10-25(29)30/h4-5,8-9,11-12,20H,6-7,10,13-19H2,1-3H3
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0.800n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity against the dopamine receptor D2 using [3H]spiperinone.


J Med Chem 38: 4211-22 (1995)


BindingDB Entry DOI: 10.7270/Q2C53MH2
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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0.800n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50001869
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C25H36N4O2/c1-20(2)31-24-9-5-4-8-23(24)28-16-14-27(15-17-28)18-21-11-12-22(26(21)3)19-29-13-7-6-10-25(29)30/h4-5,8-9,11-12,20H,6-7,10,13-19H2,1-3H3
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0.800n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine D2 receptors in rat brain synaptosomal preparations


J Med Chem 37: 1060-2 (1994)


BindingDB Entry DOI: 10.7270/Q23R0RXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50029277
PNG
(N-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN(C)C(=O)C(C)C)n2C)CC1
Show InChI InChI=1S/C25H38N4O2/c1-19(2)25(30)26(5)17-21-11-12-22(27(21)6)18-28-13-15-29(16-14-28)23-9-7-8-10-24(23)31-20(3)4/h7-12,19-20H,13-18H2,1-6H3
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0.840n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101


J Med Chem 38: 4198-210 (1995)


BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161234
PNG
(CHEMBL425143 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3ccncc3)CC2)c1Cl
Show InChI InChI=1S/C26H26Cl2N4O/c27-23-4-3-5-24(25(23)28)32-18-16-31(17-19-32)15-2-1-12-30-26(33)22-8-6-20(7-9-22)21-10-13-29-14-11-21/h1-11,13-14H,12,15-19H2,(H,30,33)/b2-1+
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0.900n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161222
PNG
(CHEMBL414838 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3cccnc3)CC2)c1Cl
Show InChI InChI=1S/C26H26Cl2N4O/c27-23-6-3-7-24(25(23)28)32-17-15-31(16-18-32)14-2-1-13-30-26(33)21-10-8-20(9-11-21)22-5-4-12-29-19-22/h1-12,19H,13-18H2,(H,30,33)/b2-1+
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0.900n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161239
PNG
(CHEMBL366900 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES Fc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H22Cl2FN3O/c22-18-4-3-5-19(20(18)23)27-14-12-26(13-15-27)11-2-1-10-25-21(28)16-6-8-17(24)9-7-16/h1-9H,10-15H2,(H,25,28)/b2-1+
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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
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50513345
PNG
(CHEMBL4438830)
Show SMILES CN(C)CCc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C27H33N7O/c1-32(2)12-7-20-4-3-5-23(16-20)22-9-14-33(15-10-22)13-8-21-17-31-34(18-21)26-25-24(6-11-28-26)27(35)30-19-29-25/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3,(H,29,30,35)
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1n/an/an/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to KDM5B (unknown origin)


Eur J Med Chem 177: 316-337 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50513361
PNG
(CHEMBL4567766)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(c2)-c2cccnc2)cn1
Show InChI InChI=1S/C28H27N7O/c36-28-25-6-11-30-27(26(25)31-19-32-28)35-18-20(16-33-35)7-12-34-13-8-21(9-14-34)22-3-1-4-23(15-22)24-5-2-10-29-17-24/h1-6,10-11,15-19,21H,7-9,12-14H2,(H,31,32,36)
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1n/an/an/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to KDM5B (unknown origin)


Eur J Med Chem 177: 316-337 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50031347
PNG
(2-Amino-5-(2-amino-propyl)-benzene-1,4-diol | CHEM...)
Show SMILES CC(N)Cc1cc(O)c(N)cc1O
Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-9(13)7(11)4-8(6)12/h3-5,12-13H,2,10-11H2,1H3
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1n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Non competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
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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1.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity towards rat Dopamine receptor D3 in Sf9 cells expressing in recombinant baculovirus (Bv) using [125I]-IABN as radioligand


Bioorg Med Chem Lett 13: 2179-83 (2003)


BindingDB Entry DOI: 10.7270/Q21Z43SN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161242
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H23Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-9,16H,10-15H2,(H,26,29)/b4-3+
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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
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50029301
PNG
(1-{3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CC(C)CC3=O)c2)CC1
Show InChI InChI=1S/C27H35N3O3/c1-20(2)33-25-10-5-4-9-24(25)29-13-11-28(12-14-29)18-22-7-6-8-23(17-22)19-30-26(31)15-21(3)16-27(30)32/h4-10,17,20-21H,11-16,18-19H2,1-3H3
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1.20n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity against the 5-hydroxytryptamine receptor 1A using [3H]WB-4101.


J Med Chem 38: 4211-22 (1995)


BindingDB Entry DOI: 10.7270/Q2C53MH2
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161227
PNG
(CHEMBL370713 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES COc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c1-29-18-9-7-17(8-10-18)22(28)25-11-2-3-12-26-13-15-27(16-14-26)20-6-4-5-19(23)21(20)24/h2-10H,11-16H2,1H3,(H,25,28)/b3-2+
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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
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161219
PNG
(CHEMBL177398 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES Fc1ccccc1C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H22Cl2FN3O/c22-17-7-5-9-19(20(17)23)27-14-12-26(13-15-27)11-4-3-10-25-21(28)16-6-1-2-8-18(16)24/h1-9H,10-15H2,(H,25,28)/b4-3+
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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
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50001869
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C25H36N4O2/c1-20(2)31-24-9-5-4-8-23(24)28-16-14-27(15-17-28)18-21-11-12-22(26(21)3)19-29-13-7-6-10-25(29)30/h4-5,8-9,11-12,20H,6-7,10,13-19H2,1-3H3
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1.20n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Dopamine receptor D2 using [3H]spiperone


J Med Chem 38: 4198-210 (1995)


BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50129433
PNG
(CHEMBL71327 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-pi...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4+
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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
Binding affinity towards rat Dopamine receptor D3 in Sf9 cells expressing in recombinant baculovirus (Bv) using [125I]-IABN as radioligand


Bioorg Med Chem Lett 13: 2179-83 (2003)


BindingDB Entry DOI: 10.7270/Q21Z43SN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161233
PNG
(CHEMBL368961 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3ncccn3)CC2)c1Cl
Show InChI InChI=1S/C25H25Cl2N5O/c26-21-5-3-6-22(23(21)27)32-17-15-31(16-18-32)14-2-1-11-30-25(33)20-9-7-19(8-10-20)24-28-12-4-13-29-24/h1-10,12-13H,11,14-18H2,(H,30,33)/b2-1+
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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
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161243
PNG
(2-Chloro-N-{4-[4-(2,3-dichloro-phenyl)-piperazin-1...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3Cl)CC2)c1Cl
Show InChI InChI=1S/C21H22Cl3N3O/c22-17-7-2-1-6-16(17)21(28)25-10-3-4-11-26-12-14-27(15-13-26)19-9-5-8-18(23)20(19)24/h1-9H,10-15H2,(H,25,28)/b4-3+
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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
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50129428
PNG
(CHEMBL302374 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(I)cc3)CC2)c1Cl
Show InChI InChI=1S/C21H24Cl2IN3O/c22-18-4-3-5-19(20(18)23)27-14-12-26(13-15-27)11-2-1-10-25-21(28)16-6-8-17(24)9-7-16/h3-9H,1-2,10-15H2,(H,25,28)
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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
Binding affinity towards rat Dopamine receptor D3 in Sf9 cells expressing in recombinant baculovirus (Bv) using [125I]-IABN as radioligand


Bioorg Med Chem Lett 13: 2179-83 (2003)


BindingDB Entry DOI: 10.7270/Q21Z43SN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50029253
PNG
(1-(5-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES COc1ccccc1N1CCN(CCc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C24H34N4O2/c1-25-20(10-11-21(25)19-28-13-6-5-9-24(28)29)12-14-26-15-17-27(18-16-26)22-7-3-4-8-23(22)30-2/h3-4,7-8,10-11H,5-6,9,12-19H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101


J Med Chem 38: 4198-210 (1995)


BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50129432
PNG
(CHEMBL262724 | Quinoxaline-2-carboxylic acid {4-[4...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cnc4ccccc4n3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N5O/c24-17-6-5-9-21(22(17)25)30-14-12-29(13-15-30)11-4-3-10-26-23(31)20-16-27-18-7-1-2-8-19(18)28-20/h1-2,5-9,16H,3-4,10-15H2,(H,26,31)
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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
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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1.40n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity against the dopamine receptor D2 using [3H]spiperinone.


J Med Chem 38: 4211-22 (1995)


BindingDB Entry DOI: 10.7270/Q2C53MH2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50029278
PNG
(1-(5-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-yl]-e...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C26H38N4O2/c1-21(2)32-25-9-5-4-8-24(25)29-18-16-28(17-19-29)15-13-22-11-12-23(27(22)3)20-30-14-7-6-10-26(30)31/h4-5,8-9,11-12,21H,6-7,10,13-20H2,1-3H3
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1.5n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101


J Med Chem 38: 4198-210 (1995)


BindingDB Entry DOI: 10.7270/Q2GX4C61
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
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50029319
PNG
(1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccccc2CN2CCCCC2=O)CC1
Show InChI InChI=1S/C26H35N3O2/c1-21(2)31-25-12-6-5-11-24(25)28-17-15-27(16-18-28)19-22-9-3-4-10-23(22)20-29-14-8-7-13-26(29)30/h3-6,9-12,21H,7-8,13-20H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor of rat brain synaptosomal preparations


J Med Chem 37: 1060-2 (1994)


BindingDB Entry DOI: 10.7270/Q23R0RXB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50104122
PNG
(9-Oxo-9H-fluorene-4-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cccc4C(=O)c5ccccc5-c34)CC2)c1Cl
Show InChI InChI=1S/C28H27Cl2N3O2/c29-23-11-6-12-24(26(23)30)33-17-15-32(16-18-33)14-4-3-13-31-28(35)22-10-5-9-21-25(22)19-7-1-2-8-20(19)27(21)34/h1-2,5-12H,3-4,13-18H2,(H,31,35)
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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
Binding affinity towards rat Dopamine receptor D3 in Sf9 cells expressing in recombinant baculovirus (Bv) using [125I]-IABN as radioligand


Bioorg Med Chem Lett 13: 2179-83 (2003)


BindingDB Entry DOI: 10.7270/Q21Z43SN
More data for this
Ligand-Target Pair
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