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4 similar compounds to monomer 50176070

Compile data set for download or QSAR
Wt: 492.3
BDBM123855
Wt: 446.3
BDBM50119384
Wt: 494.3
BDBM50343791
Wt: 462.3
BDBM50378006

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 123855,50119384,50343791,50378006   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine receptor


(Rattus norvegicus (Rat))
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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0.620n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat Dopamine D3 receptor expressed in Sf9 cells


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
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
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
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
Inhibition of [125I]IABN binding to human Dopamine D3 receptor expressed in HEK 293 cells


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
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))
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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0.810n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


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


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378006
PNG
(CHEMBL1627316 | US8748608, 42)
Show SMILES OC(CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O3/c24-18-5-3-6-19(22(18)25)28-12-10-27(11-13-28)15-17(29)8-9-26-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17,29H,8-13,15H2,(H,26,30)
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0.980n/an/an/an/an/an/an/an/a



The United States of America as Represented by the Secretary of the Department of Health and Human Services; The University of North Texas Health Science Center at Fort Worth

US Patent


Assay Description
Methods for performing in vitro dopamine receptor binding studies are described in Huang et al. J. Med. Chem. 44:1815-1826 (2001) and Luedtke et al. ...


US Patent US8748608 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KVC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM123855
PNG
(US8748608, 48)
Show SMILES COc1ccc2oc(cc2c1)C(=O)NCCC(O)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O4/c1-32-18-5-6-21-16(13-18)14-22(33-21)24(31)27-8-7-17(30)15-28-9-11-29(12-10-28)20-4-2-3-19(25)23(20)26/h2-6,13-14,17,30H,7-12,15H2,1H3,(H,27,31)
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1.30n/an/an/an/an/an/an/an/a



The United States of America as Represented by the Secretary of the Department of Health and Human Services; The University of North Texas Health Science Center at Fort Worth

US Patent


Assay Description
Methods for performing in vitro dopamine receptor binding studies are described in Huang et al. J. Med. Chem. 44:1815-1826 (2001) and Luedtke et al. ...


US Patent US8748608 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KVC
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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1.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement.


J Med Chem 45: 4594-7 (2002)


Article DOI: 10.1021/jm025558r
BindingDB Entry DOI: 10.7270/Q2DR2W7K
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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1.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human Dopamine D3 receptor expressed in CHO cells


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
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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4.30n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of [3H]YM-09151-2 binding to human Dopamine D3 receptor expressed in CHO cells


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378006
PNG
(CHEMBL1627316 | US8748608, 42)
Show SMILES OC(CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O3/c24-18-5-3-6-19(22(18)25)28-12-10-27(11-13-28)15-17(29)8-9-26-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17,29H,8-13,15H2,(H,26,30)
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6.11n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


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


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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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7.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293 cell membranes by radioligand competition binding assay


Bioorg Med Chem 23: 6195-209 (2015)


Article DOI: 10.1016/j.bmc.2015.07.050
BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50343791
PNG
(CHEMBL1774533 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES COc1ccc2oc(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H26Cl2FN3O3/c1-32-18-5-6-21-16(13-18)14-22(33-21)24(31)28-8-7-17(27)15-29-9-11-30(12-10-29)20-4-2-3-19(25)23(20)26/h2-6,13-14,17H,7-12,15H2,1H3,(H,28,31)
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8n/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 after 60 mins by gamma counting


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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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27.9n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(2) 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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44.8n/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 D2L receptor expressed in HEK293 cells after 60 mins by gamma counting


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(2) 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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44.8n/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 D2 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


(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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44.8n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of [125I]IABN binding to human Dopamine D2L receptor expressed in HEK 293 cells


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair
D(2) 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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80n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2 (short) by [3H]- spiperone displacement.


J Med Chem 45: 4594-7 (2002)


Article DOI: 10.1021/jm025558r
BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(2) 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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82n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor expressed in CHO cell membranes by radioligand competition binding assay


Bioorg Med Chem 23: 6195-209 (2015)


Article DOI: 10.1016/j.bmc.2015.07.050
BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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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93n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 by [3H]- spiperone displacement.


J Med Chem 45: 4594-7 (2002)


Article DOI: 10.1021/jm025558r
BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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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93n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human Dopamine D4 receptor expressed in CHO cells


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair
D(2) 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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119n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of [3H]YM-09151-2 binding to human Dopamine D2L receptor expressed in CHO cells


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50343791
PNG
(CHEMBL1774533 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES COc1ccc2oc(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H26Cl2FN3O3/c1-32-18-5-6-21-16(13-18)14-22(33-21)24(31)28-8-7-17(27)15-29-9-11-30(12-10-29)20-4-2-3-19(25)23(20)26/h2-6,13-14,17H,7-12,15H2,1H3,(H,28,31)
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274n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50343791
PNG
(CHEMBL1774533 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES COc1ccc2oc(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H26Cl2FN3O3/c1-32-18-5-6-21-16(13-18)14-22(33-21)24(31)28-8-7-17(27)15-29-9-11-30(12-10-29)20-4-2-3-19(25)23(20)26/h2-6,13-14,17H,7-12,15H2,1H3,(H,28,31)
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279n/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 D2L receptor expressed in HEK293 cells after 60 mins by gamma counting


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(2) 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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320n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2 (long) by [3H]- spiperone displacement.


J Med Chem 45: 4594-7 (2002)


Article DOI: 10.1021/jm025558r
BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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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320n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human Dopamine D2L receptor expressed in CHO cells


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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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480n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]- 8-OH-DPAT from porcine 5-hydroxytryptamine 1A receptor


J Med Chem 45: 4594-7 (2002)


Article DOI: 10.1021/jm025558r
BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50343791
PNG
(CHEMBL1774533 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES COc1ccc2oc(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H26Cl2FN3O3/c1-32-18-5-6-21-16(13-18)14-22(33-21)24(31)28-8-7-17(27)15-29-9-11-30(12-10-29)20-4-2-3-19(25)23(20)26/h2-6,13-14,17H,7-12,15H2,1H3,(H,28,31)
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501n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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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890n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human Dopamine D4 receptor expressed in Sf9 cells


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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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1.22E+3n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D4 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(1A) 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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2.10E+3n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(1A) 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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2.90E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for porcine Dopamine receptor D1 by [3H]-SCH- 23390 displacement.


J Med Chem 45: 4594-7 (2002)


Article DOI: 10.1021/jm025558r
BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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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5.74E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human Dopamine D2L receptor expressed in Sf9 cells


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50378006
PNG
(CHEMBL1627316 | US8748608, 42)
Show SMILES OC(CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O3/c24-18-5-3-6-19(22(18)25)28-12-10-27(11-13-28)15-17(29)8-9-26-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17,29H,8-13,15H2,(H,26,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D4 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50378006
PNG
(CHEMBL1627316 | US8748608, 42)
Show SMILES OC(CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O3/c24-18-5-3-6-19(22(18)25)28-12-10-27(11-13-28)15-17(29)8-9-26-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17,29H,8-13,15H2,(H,26,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
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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n/an/a 9.01n/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in HEK293 cells assessed as inhibition of quinpirole-stimulated mitogenesis


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378006
PNG
(CHEMBL1627316 | US8748608, 42)
Show SMILES OC(CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O3/c24-18-5-3-6-19(22(18)25)28-12-10-27(11-13-28)15-17(29)8-9-26-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17,29H,8-13,15H2,(H,26,30)
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n/an/an/an/a 22.8n/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Agonist activity at human D3 receptor expressed in HEK293 cells assessed as stimulation of mitogenesis


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378006
PNG
(CHEMBL1627316 | US8748608, 42)
Show SMILES OC(CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O3/c24-18-5-3-6-19(22(18)25)28-12-10-27(11-13-28)15-17(29)8-9-26-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17,29H,8-13,15H2,(H,26,30)
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n/an/a 13.7n/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in HEK293 cells assessed as inhibition of quinpirole-stimulated mitogenesis


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(2) 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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n/an/a 118n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D2 receptor


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50343791
PNG
(CHEMBL1774533 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES COc1ccc2oc(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H26Cl2FN3O3/c1-32-18-5-6-21-16(13-18)14-22(33-21)24(31)28-8-7-17(27)15-29-9-11-30(12-10-29)20-4-2-3-19(25)23(20)26/h2-6,13-14,17H,7-12,15H2,1H3,(H,28,31)
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n/an/a 1.60E+3n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHOp cells assessed as inhibition of quinopirole-induced mitogenisis


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50343791
PNG
(CHEMBL1774533 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES COc1ccc2oc(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H26Cl2FN3O3/c1-32-18-5-6-21-16(13-18)14-22(33-21)24(31)28-8-7-17(27)15-29-9-11-30(12-10-29)20-4-2-3-19(25)23(20)26/h2-6,13-14,17H,7-12,15H2,1H3,(H,28,31)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.43E+3n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHOp cells assessed as inhibition of quinopirole-induced mitogenisis


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
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)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.01n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair