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Compile Data Set for Download or QSAR

Found 274 hits with Last Name = 'vangveravong' and Initial = 's'   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50349871
PNG
(CHEMBL1813595)
Show SMILES FCCOc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C25H30FN3O3/c26-11-18-32-24-6-2-1-5-23(24)29-15-13-28(14-16-29)12-3-4-17-31-21-9-7-20-8-10-25(30)27-22(20)19-21/h1-2,5-10,19H,3-4,11-18H2,(H,27,30)
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0.0700n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50349870
PNG
(CHEMBL1813594)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-23-7-3-2-6-22(23)27-15-13-26(14-16-27)12-4-5-17-30-20-10-8-19-9-11-24(28)25-21(19)18-20/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,25,28)
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0.140n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50349866
PNG
(CHEMBL160296 | CHEMBL1813590 | UNC10108016 | US915...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H31N3O3/c1-29-23-7-3-2-6-22(23)27-15-13-26(14-16-27)12-4-5-17-30-20-10-8-19-9-11-24(28)25-21(19)18-20/h2-3,6-8,10,18H,4-5,9,11-17H2,1H3,(H,25,28)
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0.220n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50349867
PNG
(CHEMBL1813591)
Show SMILES FCCOc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C25H32FN3O3/c26-11-18-32-24-6-2-1-5-23(24)29-15-13-28(14-16-29)12-3-4-17-31-21-9-7-20-8-10-25(30)27-22(20)19-21/h1-2,5-7,9,19H,3-4,8,10-18H2,(H,27,30)
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0.260n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50137621
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(C1)C1C2CC3CC(C2)CC1C3 |TLB:30:29:27:24.23.25,THB:19:21:27:24.23.25,30:24:27:21.29.28,25:26:21:24.23.30,25:24:21:26.27.28,(.47,2.25,;1.82,1.5,;1.82,-.03,;3.16,-.8,;3.17,-2.33,;1.83,-3.11,;1.83,-4.64,;.5,-2.34,;-.85,-3.12,;-2.18,-2.35,;-2.18,-.81,;-.85,-.05,;.5,-.81,;4.49,-.02,;4.49,1.51,;5.83,-.77,;7.16,-.01,;7.31,1.52,;8.81,1.85,;9.6,.53,;8.57,-.63,;11.12,.37,;11.75,-1.04,;12.58,.32,;14.74,1.09,;15.98,.44,;14.17,.06,;13.28,-1.19,;13.54,1.45,;12.01,1.62,;13.47,2.41,)|
Show InChI InChI=1S/C26H31BrN2O2/c1-31-25-21-5-3-2-4-20(21)23(27)13-22(25)26(30)28-19-6-7-29(14-19)24-17-9-15-8-16(11-17)12-18(24)10-15/h2-5,13,15-19,24H,6-12,14H2,1H3,(H,28,30)
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0.400n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D3 on Sf9 cells by [125I]-IABN displacement.


Bioorg Med Chem Lett 14: 195-202 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H45
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
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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0.5n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D3 on Sf9 cells by [125I]-IABN displacement.


Bioorg Med Chem Lett 14: 195-202 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H45
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322239
PNG
(1-(Benzofuran-3-ylmethyl)-4-(4-iodophenyl)piperidi...)
Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C20H20INO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2
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0.510n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322240
PNG
(1-(Benzofuran-3-ylmethyl)-4-(4-bromophenyl)piperid...)
Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H20BrNO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2
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0.590n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322252
PNG
(4-(4-Iodophenyl)-1-((5-methoxy-1H-indol-3-yl)methy...)
Show SMILES COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(I)cc3)c2c1
Show InChI InChI=1S/C21H23IN2O2/c1-26-18-6-7-20-19(12-18)15(13-23-20)14-24-10-8-21(25,9-11-24)16-2-4-17(22)5-3-16/h2-7,12-13,23,25H,8-11,14H2,1H3
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0.900n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50322233
PNG
(8-(Benzofuran-3-ylmethyl)-3-((1-(2-fluoroethyl)-1H...)
Show SMILES FCCn1cc(CN2CN(c3ccccc3)C3(CCN(Cc4coc5ccccc45)CC3)C2=O)nn1
Show InChI InChI=1S/C27H29FN6O2/c28-12-15-33-18-22(29-30-33)17-32-20-34(23-6-2-1-3-7-23)27(26(32)35)10-13-31(14-11-27)16-21-19-36-25-9-5-4-8-24(21)25/h1-9,18-19H,10-17,20H2
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0.900n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322229
PNG
(4-(4-Iodophenyl)-1-((4-methoxy-1H-indol-3-yl)methy...)
Show SMILES COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(I)cc3)c12
Show InChI InChI=1S/C21H23IN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3
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0.900n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122056
PNG
(Biphenyl-4-carboxylic acid {4-[4-(2,3-dichloro-phe...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C27H29Cl2N3O/c28-24-9-6-10-25(26(24)29)32-19-17-31(18-20-32)16-5-4-15-30-27(33)23-13-11-22(12-14-23)21-7-2-1-3-8-21/h1-3,6-14H,4-5,15-20H2,(H,30,33)
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0.900n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D3 on Sf9 cells by [125I]-IABN displacement.


Bioorg Med Chem Lett 14: 195-202 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H45
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50068516
PNG
(2-(5-Methoxy-1H-indol-3-yl)-propylamine | CHEMBL14...)
Show SMILES COc1ccc2[nH]cc(C(C)CN)c2c1
Show InChI InChI=1S/C12H16N2O/c1-8(6-13)11-7-14-12-4-3-9(15-2)5-10(11)12/h3-5,7-8,14H,6,13H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity against the cloned human 5-hydroxytryptamine 2C receptor using [125I]-DOI as the radioligand


J Med Chem 41: 4995-5001 (1999)


Article DOI: 10.1021/jm980318q
BindingDB Entry DOI: 10.7270/Q2HQ3Z24
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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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1.10n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322245
PNG
(1-((1H-Pyrrolo[2,3-b]pyridine-3-yl)methyl)-4-(4-io...)
Show SMILES OC1(CCN(Cc2c[nH]c3ncccc23)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C19H20IN3O/c20-16-5-3-15(4-6-16)19(24)7-10-23(11-8-19)13-14-12-22-18-17(14)2-1-9-21-18/h1-6,9,12,24H,7-8,10-11,13H2,(H,21,22)
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1.20n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
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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1.40n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D3 on Sf9 cells by [125I]-IABN displacement.


Bioorg Med Chem Lett 14: 195-202 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H45
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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1.40n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D3 on Sf9 cells by [125I]-IABN displacement.


Bioorg Med Chem Lett 14: 195-202 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H45
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322242
PNG
(1-(Benzofuran-2-ylmethyl)-4-(4-iodophenyl)piperidi...)
Show SMILES OC1(CCN(Cc2cc3ccccc3o2)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C20H20INO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)14-18-13-15-3-1-2-4-19(15)24-18/h1-8,13,23H,9-12,14H2
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1.41n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
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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1.45n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50068514
PNG
(2-(5-Fluoro-1H-indol-3-yl)-cyclopropylamine | CHEM...)
Show SMILES NC1CC1c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C11H11FN2/c12-6-1-2-11-8(3-6)9(5-14-11)7-4-10(7)13/h1-3,5,7,10,14H,4,13H2
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1.90n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity against the cloned human 5-hydroxytryptamine 2C receptor using [125I]-DOI as the radioligand


J Med Chem 41: 4995-5001 (1999)


Article DOI: 10.1021/jm980318q
BindingDB Entry DOI: 10.7270/Q2HQ3Z24
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322233
PNG
(8-(Benzofuran-3-ylmethyl)-3-((1-(2-fluoroethyl)-1H...)
Show SMILES FCCn1cc(CN2CN(c3ccccc3)C3(CCN(Cc4coc5ccccc45)CC3)C2=O)nn1
Show InChI InChI=1S/C27H29FN6O2/c28-12-15-33-18-22(29-30-33)17-32-20-34(23-6-2-1-3-7-23)27(26(32)35)10-13-31(14-11-27)16-21-19-36-25-9-5-4-8-24(21)25/h1-9,18-19H,10-17,20H2
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2n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322230
PNG
(1-((1H-Indol-3-yl)methyl)-4-(4-iodophenyl)piperidi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C20H21IN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
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2n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50137626
PNG
(5-Bromo-N-{4-[4-(2,3-dichloro-phenyl)-piperazin-1-...)
Show SMILES COc1cc(Br)cc(C(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC
Show InChI InChI=1S/C23H28BrCl2N3O3/c1-31-20-15-16(24)14-17(22(20)32-2)23(30)27-8-3-4-9-28-10-12-29(13-11-28)19-7-5-6-18(25)21(19)26/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,27,30)
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2.10n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D3 on Sf9 cells by [125I]-IABN displacement.


Bioorg Med Chem Lett 14: 195-202 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H45
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50322236
PNG
(8-(Benzofuran-3-ylmethyl)-3-methyl-1-phenyl-1,3,8-...)
Show SMILES CN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O
Show InChI InChI=1S/C23H25N3O2/c1-24-17-26(19-7-3-2-4-8-19)23(22(24)27)11-13-25(14-12-23)15-18-16-28-21-10-6-5-9-20(18)21/h2-10,16H,11-15,17H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity against the 5-hydroxytryptamine 1A receptor labelled with [3H]-8-OH-DPAT in rat hippocampal homogenates


J Med Chem 41: 4995-5001 (1999)


Article DOI: 10.1021/jm980318q
BindingDB Entry DOI: 10.7270/Q2HQ3Z24
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322241
PNG
(1-(Benzo[b]thiophen-2-ylmethyl)-4-(4-bromophenyl)-...)
Show SMILES OC1(CCN(Cc2cc3ccccc3s2)CC1)c1ccccc1
Show InChI InChI=1S/C20H21NOS/c22-20(17-7-2-1-3-8-17)10-12-21(13-11-20)15-18-14-16-6-4-5-9-19(16)23-18/h1-9,14,22H,10-13,15H2
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2.13n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50068516
PNG
(2-(5-Methoxy-1H-indol-3-yl)-propylamine | CHEMBL14...)
Show SMILES COc1ccc2[nH]cc(C(C)CN)c2c1
Show InChI InChI=1S/C12H16N2O/c1-8(6-13)11-7-14-12-4-3-9(15-2)5-10(11)12/h3-5,7-8,14H,6,13H2,1-2H3
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2.20n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity against the cloned human 5-hydroxytryptamine 2A receptor using [125I]-DOI as the radioligand


J Med Chem 41: 4995-5001 (1999)


Article DOI: 10.1021/jm980318q
BindingDB Entry DOI: 10.7270/Q2HQ3Z24
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322254
PNG
(4-(4-bromophenyl)-1-((4-methoxy-1H-indol-3-yl)meth...)
Show SMILES COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Br)cc3)c12
Show InChI InChI=1S/C21H23BrN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322239
PNG
(1-(Benzofuran-3-ylmethyl)-4-(4-iodophenyl)piperidi...)
Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C20H20INO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2
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2.40n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322243
PNG
(1-(Benzofuran-2-ylmethyl)-4-(4-bromophenyl)piperid...)
Show SMILES OC1(CCN(Cc2cc3ccccc3o2)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H20BrNO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)14-18-13-15-3-1-2-4-19(15)24-18/h1-8,13,23H,9-12,14H2
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2.45n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322253
PNG
(4-(4-bromophenyl)-1-((5-methoxy-1H-indol-3-yl)meth...)
Show SMILES COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C21H23BrN2O2/c1-26-18-6-7-20-19(12-18)15(13-23-20)14-24-10-8-21(25,9-11-24)16-2-4-17(22)5-3-16/h2-7,12-13,23,25H,8-11,14H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50349873
PNG
(CHEMBL1813597)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3ccc(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C23H27N3O3/c1-28-22-6-3-2-5-21(22)26-14-12-25(13-15-26)11-4-16-29-19-9-7-18-8-10-23(27)24-20(18)17-19/h2-3,5-10,17H,4,11-16H2,1H3,(H,24,27)
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2.60n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50349871
PNG
(CHEMBL1813595)
Show SMILES FCCOc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C25H30FN3O3/c26-11-18-32-24-6-2-1-5-23(24)29-15-13-28(14-16-29)12-3-4-17-31-21-9-7-20-8-10-25(30)27-22(20)19-21/h1-2,5-10,19H,3-4,11-18H2,(H,27,30)
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2.70n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D3 receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50322238
PNG
(1-(1-(Benzofuran-3-ylmethyl)piperidin-4-yl)-1Hbenz...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2coc3ccccc23)CC1
Show InChI InChI=1S/C21H21N3O2/c25-21-22-18-6-2-3-7-19(18)24(21)16-9-11-23(12-10-16)13-15-14-26-20-8-4-1-5-17(15)20/h1-8,14,16H,9-13H2,(H,22,25)
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3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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3.10n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50099815
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid ((...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-12-6-5-11-18(19)21(24)14-20(22)23(27)25-15-17-10-7-13-26(17)16-8-3-2-4-9-16/h5-6,11-12,14,16-17H,2-4,7-10,13,15H2,1H3,(H,25,27)/t17-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D3 on Sf9 cells by [125I]-IABN displacement.


Bioorg Med Chem Lett 14: 195-202 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H45
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50349875
PNG
(CHEMBL1813599)
Show SMILES COc1ccccc1N1CCN(CCCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C25H31N3O3/c1-30-24-8-4-3-7-23(24)28-16-14-27(15-17-28)13-5-2-6-18-31-21-11-9-20-10-12-25(29)26-22(20)19-21/h3-4,7-12,19H,2,5-6,13-18H2,1H3,(H,26,29)
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3.80n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D3 receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322230
PNG
(1-((1H-Indol-3-yl)methyl)-4-(4-iodophenyl)piperidi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C20H21IN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
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3.80n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50137627
PNG
(2-[5-(5-Bromo-2,3-dimethoxy-phenyl)-1H-pyrrol-2-yl...)
Show SMILES COc1cc(Br)cc(-c2ccc(CN3CCc4ccccc4C3)[nH]2)c1OC
Show InChI InChI=1S/C22H23BrN2O2/c1-26-21-12-17(23)11-19(22(21)27-2)20-8-7-18(24-20)14-25-10-9-15-5-3-4-6-16(15)13-25/h3-8,11-12,24H,9-10,13-14H2,1-2H3
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3.80n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D3 on Sf9 cells by [125I]-IABN displacement.


Bioorg Med Chem Lett 14: 195-202 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H45
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50137620
PNG
(2-[5-(5-Bromo-2,3-dimethoxy-phenyl)-1H-pyrrol-2-yl...)
Show SMILES COc1cc2CCN(Cc3ccc([nH]3)-c3cc(Br)cc(OC)c3OC)Cc2cc1OC
Show InChI InChI=1S/C24H27BrN2O4/c1-28-21-9-15-7-8-27(13-16(15)10-22(21)29-2)14-18-5-6-20(26-18)19-11-17(25)12-23(30-3)24(19)31-4/h5-6,9-12,26H,7-8,13-14H2,1-4H3
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3.90n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D3 on Sf9 cells by [125I]-IABN displacement.


Bioorg Med Chem Lett 14: 195-202 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H45
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322232
PNG
(4-(4-chlorophenyl)-1-((4-methoxy-1H-indol-3-yl)met...)
Show SMILES COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H23ClN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3
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4.20n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322231
PNG
(4-(4-chlorophenyl)-1-((5-methoxy-1H-indol-3-yl)met...)
Show SMILES COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C21H23ClN2O2/c1-26-18-6-7-20-19(12-18)15(13-23-20)14-24-10-8-21(25,9-11-24)16-2-4-17(22)5-3-16/h2-7,12-13,23,25H,8-11,14H2,1H3
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4.20n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50349869
PNG
(CHEMBL1813593)
Show SMILES COc1cc(C)ccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C25H33N3O3/c1-19-5-9-23(24(17-19)30-2)28-14-12-27(13-15-28)11-3-4-16-31-21-8-6-20-7-10-25(29)26-22(20)18-21/h5-6,8-9,17-18H,3-4,7,10-16H2,1-2H3,(H,26,29)
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4.60n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50349872
PNG
(CHEMBL1813596)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H29N3O3/c1-28-22-6-3-2-5-21(22)26-14-12-25(13-15-26)11-4-16-29-19-9-7-18-8-10-23(27)24-20(18)17-19/h2-3,5-7,9,17H,4,8,10-16H2,1H3,(H,24,27)
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4.80n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322255
PNG
(1-((1H-indol-3-yl)methyl)-4-(4-bromophenyl)piperid...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H21BrN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
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4.80n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50349870
PNG
(CHEMBL1813594)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-23-7-3-2-6-22(23)27-15-13-26(14-16-27)12-4-5-17-30-20-10-8-19-9-11-24(28)25-21(19)18-20/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,25,28)
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5.40n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D3 receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50068514
PNG
(2-(5-Fluoro-1H-indol-3-yl)-cyclopropylamine | CHEM...)
Show SMILES NC1CC1c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C11H11FN2/c12-6-1-2-11-8(3-6)9(5-14-11)7-4-10(7)13/h1-3,5,7,10,14H,4,13H2
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5.70n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity against the cloned human 5-hydroxytryptamine 2B receptor using [3H]-5-HT as the radioligand


J Med Chem 41: 4995-5001 (1999)


Article DOI: 10.1021/jm980318q
BindingDB Entry DOI: 10.7270/Q2HQ3Z24
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50349873
PNG
(CHEMBL1813597)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3ccc(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C23H27N3O3/c1-28-22-6-3-2-5-21(22)26-14-12-25(13-15-26)11-4-16-29-19-9-7-18-8-10-23(27)24-20(18)17-19/h2-3,5-10,17H,4,11-16H2,1H3,(H,24,27)
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5.70n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D3 receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50137621
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(C1)C1C2CC3CC(C2)CC1C3 |TLB:30:29:27:24.23.25,THB:19:21:27:24.23.25,30:24:27:21.29.28,25:26:21:24.23.30,25:24:21:26.27.28,(.47,2.25,;1.82,1.5,;1.82,-.03,;3.16,-.8,;3.17,-2.33,;1.83,-3.11,;1.83,-4.64,;.5,-2.34,;-.85,-3.12,;-2.18,-2.35,;-2.18,-.81,;-.85,-.05,;.5,-.81,;4.49,-.02,;4.49,1.51,;5.83,-.77,;7.16,-.01,;7.31,1.52,;8.81,1.85,;9.6,.53,;8.57,-.63,;11.12,.37,;11.75,-1.04,;12.58,.32,;14.74,1.09,;15.98,.44,;14.17,.06,;13.28,-1.19,;13.54,1.45,;12.01,1.62,;13.47,2.41,)|
Show InChI InChI=1S/C26H31BrN2O2/c1-31-25-21-5-3-2-4-20(21)23(27)13-22(25)26(30)28-19-6-7-29(14-19)24-17-9-15-8-16(11-17)12-18(24)10-15/h2-5,13,15-19,24H,6-12,14H2,1H3,(H,28,30)
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5.80n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D2 on Sf9 cells by [125I]-IABN displacement.


Bioorg Med Chem Lett 14: 195-202 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H45
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322240
PNG
(1-(Benzofuran-3-ylmethyl)-4-(4-bromophenyl)piperid...)
Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H20BrNO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2
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6.60n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
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