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Compile Data Set for Download or QSAR

Found 395 hits of ic50 for UniProtKB: P21917   
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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068366
PNG
(CHEMBL93403 | N-{2-[4-(4-Chloro-phenyl)-piperazin-...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-4-2-3-16(15-19)20(25)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h2-8,15H,9-14H2,1H3,(H,22,25)
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n/an/a 0.0570n/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D4.2 by [3H]-YM-09151-2 displacement.


J Med Chem 41: 4903-9 (1998)


Article DOI: 10.1021/jm981041x
BindingDB Entry DOI: 10.7270/Q2S46R3V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50263488
PNG
(CHEMBL4085780)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O/c26-22-12-11-19-7-4-5-10-21(19)25(22)14-6-13-23-15-17-24(18-16-23)20-8-2-1-3-9-20/h1-5,7-10H,6,11-18H2
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n/an/a 0.724n/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Antagonist activity at human SP/Myc epitope-tagged dopamine D4 receptor expressed in HEK293T cells assessed as inhibition of dopamine-induced mVenus-...


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50150143
PNG
(2-[4-(2,5-Dimethyl-phenyl)-piperazin-1-ylmethyl]-1...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C20H24N4/c1-15-7-8-16(2)19(13-15)24-11-9-23(10-12-24)14-20-21-17-5-3-4-6-18(17)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration tested on human D4.4 receptor in HEK293 cells using FLIPR assay


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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n/an/a 1n/an/an/an/an/an/a



Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone


Bioorg Med Chem Lett 8: 2033-8 (1999)


BindingDB Entry DOI: 10.7270/Q2222V8M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068369
PNG
(3-Methoxy-N-[2-(4-pyridin-2-yl-piperazin-1-yl)-eth...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H24N4O2/c1-25-17-6-4-5-16(15-17)19(24)21-9-10-22-11-13-23(14-12-22)18-7-2-3-8-20-18/h2-8,15H,9-14H2,1H3,(H,21,24)
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n/an/a 1n/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D4.2 by [3H]-YM-09151-2 displacement.


J Med Chem 41: 4903-9 (1998)


Article DOI: 10.1021/jm981041x
BindingDB Entry DOI: 10.7270/Q2S46R3V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068362
PNG
(3-Methoxy-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C21H27N3O3/c1-26-18-7-5-6-17(16-18)21(25)22-10-11-23-12-14-24(15-13-23)19-8-3-4-9-20(19)27-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
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n/an/a 1n/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D4.2 by [3H]-YM-09151-2 displacement.


J Med Chem 41: 4903-9 (1998)


Article DOI: 10.1021/jm981041x
BindingDB Entry DOI: 10.7270/Q2S46R3V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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n/an/a 1n/an/an/an/an/an/a



Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone


Bioorg Med Chem Lett 8: 2033-8 (1999)


BindingDB Entry DOI: 10.7270/Q2222V8M
More data for this
Ligand-Target Pair
D(4) 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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n/an/a 1.30n/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D4.2 by [3H]-YM-09151-2 displacement.


J Med Chem 41: 4903-9 (1998)


Article DOI: 10.1021/jm981041x
BindingDB Entry DOI: 10.7270/Q2S46R3V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50080797
PNG
(7-[(2-Phenylamino-ethylamino)-methyl]-chromen-2-on...)
Show SMILES O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1
Show InChI InChI=1S/C18H18N2O2/c21-18-9-8-15-7-6-14(12-17(15)22-18)13-19-10-11-20-16-4-2-1-3-5-16/h1-9,12,19-20H,10-11,13H2
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n/an/a 1.30n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092053
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,3-dihy...)
Show SMILES Clc1ccc(CN2CCN(CC(=O)N3CCc4ccccc34)CC2)cc1
Show InChI InChI=1S/C21H24ClN3O/c22-19-7-5-17(6-8-19)15-23-11-13-24(14-12-23)16-21(26)25-10-9-18-3-1-2-4-20(18)25/h1-8H,9-16H2
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n/an/a 1.60n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against dopamine receptor D4


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071215
PNG
(2-[4-(4'-Fluoro-biphenyl-3-ylmethyl)-piperazin-1-y...)
Show SMILES Fc1ccc(cc1)-c1cccc(CN2CCN(CC2)c2ncccn2)c1
Show InChI InChI=1S/C21H21FN4/c22-20-7-5-18(6-8-20)19-4-1-3-17(15-19)16-25-11-13-26(14-12-25)21-23-9-2-10-24-21/h1-10,15H,11-14,16H2
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n/an/a 2n/an/an/an/an/an/a



Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone


Bioorg Med Chem Lett 8: 2033-8 (1999)


BindingDB Entry DOI: 10.7270/Q2222V8M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50119970
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C23H29N3O/c1-18-7-9-20(10-8-18)16-24-11-13-25(14-12-24)17-23(27)26-19(2)15-21-5-3-4-6-22(21)26/h3-10,19H,11-17H2,1-2H3/t19-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against dopamine receptor D4


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071215
PNG
(2-[4-(4'-Fluoro-biphenyl-3-ylmethyl)-piperazin-1-y...)
Show SMILES Fc1ccc(cc1)-c1cccc(CN2CCN(CC2)c2ncccn2)c1
Show InChI InChI=1S/C21H21FN4/c22-20-7-5-18(6-8-20)19-4-1-3-17(15-19)16-25-11-13-26(14-12-25)21-23-9-2-10-24-21/h1-10,15H,11-14,16H2
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n/an/a 2n/an/an/an/an/an/a



Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone


Bioorg Med Chem Lett 8: 2033-8 (1999)


BindingDB Entry DOI: 10.7270/Q2222V8M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50200045
PNG
(2-(4-phenylpiperidin-1-yl)-N-(m-tolyl)acetamide | ...)
Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C20H24N2O/c1-16-6-5-9-19(14-16)21-20(23)15-22-12-10-18(11-13-22)17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3,(H,21,23)
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n/an/a 2n/an/an/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in CHOK1 cells assessed as suppression of dopamine-induced inhibition of forskolin-stimulated cAMP...


J Med Chem 62: 3722-3740 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00231
BindingDB Entry DOI: 10.7270/Q20C505J
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50403975
PNG
(CHEMBL315772)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 2.60n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D4


Bioorg Med Chem Lett 12: 3573-7 (2002)


BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50403975
PNG
(CHEMBL315772)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 2.60n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Dopamine receptor D4


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/S0960-894X(01)00722-3
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068374
PNG
(3-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C22H29N3O3/c1-27-19-8-5-7-18(17-19)22(26)23-11-6-12-24-13-15-25(16-14-24)20-9-3-4-10-21(20)28-2/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26)
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n/an/a 2.80n/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D4.2 by [3H]-YM-09151-2 displacement.


J Med Chem 41: 4903-9 (1998)


Article DOI: 10.1021/jm981041x
BindingDB Entry DOI: 10.7270/Q2S46R3V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM466577
PNG
(2,2-Dimethyl-N-{2-[6-(trifluoromethyl)-3′,6&...)
Show SMILES CC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(n1)C(F)(F)F |c:12|
Show InChI InChI=1S/C18H24F3N3O/c1-17(2,3)16(25)22-9-12-24-10-7-13(8-11-24)14-5-4-6-15(23-14)18(19,20)21/h4-7H,8-12H2,1-3H3,(H,22,25)
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US Patent
n/an/a 2.90n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned b...


US Patent US10800755 (2020)


BindingDB Entry DOI: 10.7270/Q2TM7F5J
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369656
PNG
(CHEMBL1202211)
Show SMILES COc1cc(Cl)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H25ClN2O/c1-25-21-14-18(22)7-8-20(21)24-11-9-23(10-12-24)15-17-13-19(17)16-5-3-2-4-6-16/h2-8,14,17,19H,9-13,15H2,1H3/t17-,19-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369658
PNG
(CHEMBL1202216)
Show SMILES COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H26N2O/c1-24-21-10-6-5-9-20(21)23-13-11-22(12-14-23)16-18-15-19(18)17-7-3-2-4-8-17/h2-10,18-19H,11-16H2,1H3/t18-,19-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50119892
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C23H29N3O/c1-18-7-9-20(10-8-18)16-24-11-13-25(14-12-24)17-23(27)26-19(2)15-21-5-3-4-6-22(21)26/h3-10,19H,11-17H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against dopamine receptor D4


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071211
PNG
(1-(2-Fluoro-phenyl)-4-[5-(4-fluoro-phenyl)-pyridin...)
Show SMILES Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2ccccc2F)c1
Show InChI InChI=1S/C22H21F2N3/c23-20-7-5-18(6-8-20)19-13-17(14-25-15-19)16-26-9-11-27(12-10-26)22-4-2-1-3-21(22)24/h1-8,13-15H,9-12,16H2
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n/an/a 3n/an/an/an/an/an/a



Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone


Bioorg Med Chem Lett 8: 2033-8 (1999)


BindingDB Entry DOI: 10.7270/Q2222V8M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071211
PNG
(1-(2-Fluoro-phenyl)-4-[5-(4-fluoro-phenyl)-pyridin...)
Show SMILES Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2ccccc2F)c1
Show InChI InChI=1S/C22H21F2N3/c23-20-7-5-18(6-8-20)19-13-17(14-25-15-19)16-26-9-11-27(12-10-26)22-4-2-1-3-21(22)24/h1-8,13-15H,9-12,16H2
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n/an/a 3n/an/an/an/an/an/a



Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone


Bioorg Med Chem Lett 8: 2033-8 (1999)


BindingDB Entry DOI: 10.7270/Q2222V8M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM466559
PNG
(US10800755, Example 14 | US11014905, Example 14)
Show SMILES Cc1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1 |t:8|
Show InChI InChI=1S/C20H27F2N3O/c1-15-3-2-4-18(24-15)16-7-12-25(13-8-16)14-11-23-19(26)17-5-9-20(21,22)10-6-17/h2-4,7,17H,5-6,8-14H2,1H3,(H,23,26)
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US Patent
n/an/a 3n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned b...


US Patent US10800755 (2020)


BindingDB Entry DOI: 10.7270/Q2TM7F5J
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071216
PNG
(2-[4-(3-Thiophen-3-yl-benzyl)-piperazin-1-yl]-pyri...)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1cccc(c1)-c1ccsc1
Show InChI InChI=1S/C19H20N4S/c1-3-16(13-17(4-1)18-5-12-24-15-18)14-22-8-10-23(11-9-22)19-20-6-2-7-21-19/h1-7,12-13,15H,8-11,14H2
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Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone


Bioorg Med Chem Lett 8: 2033-8 (1999)


BindingDB Entry DOI: 10.7270/Q2222V8M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071216
PNG
(2-[4-(3-Thiophen-3-yl-benzyl)-piperazin-1-yl]-pyri...)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1cccc(c1)-c1ccsc1
Show InChI InChI=1S/C19H20N4S/c1-3-16(13-17(4-1)18-5-12-24-15-18)14-22-8-10-23(11-9-22)19-20-6-2-7-21-19/h1-7,12-13,15H,8-11,14H2
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Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone


Bioorg Med Chem Lett 8: 2033-8 (1999)


BindingDB Entry DOI: 10.7270/Q2222V8M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068364
PNG
(1-(3-Methoxy-phenyl)-4-[4-(2-methoxy-phenyl)-piper...)
Show SMILES COc1cccc(c1)C(=O)CCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C22H28N2O3/c1-26-19-8-5-7-18(17-19)21(25)10-6-12-23-13-15-24(16-14-23)20-9-3-4-11-22(20)27-2/h3-5,7-9,11,17H,6,10,12-16H2,1-2H3
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n/an/a 3.10n/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D4.2 by [3H]-YM-09151-2 displacement.


J Med Chem 41: 4903-9 (1998)


Article DOI: 10.1021/jm981041x
BindingDB Entry DOI: 10.7270/Q2S46R3V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071217
PNG
(2-[4-(3'-Fluoro-biphenyl-3-ylmethyl)-piperazin-1-y...)
Show SMILES Fc1cccc(c1)-c1cccc(CN2CCN(CC2)c2ncccn2)c1
Show InChI InChI=1S/C21H21FN4/c22-20-7-2-6-19(15-20)18-5-1-4-17(14-18)16-25-10-12-26(13-11-25)21-23-8-3-9-24-21/h1-9,14-15H,10-13,16H2
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n/an/a 4n/an/an/an/an/an/a



Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone


Bioorg Med Chem Lett 8: 2033-8 (1999)


BindingDB Entry DOI: 10.7270/Q2222V8M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071217
PNG
(2-[4-(3'-Fluoro-biphenyl-3-ylmethyl)-piperazin-1-y...)
Show SMILES Fc1cccc(c1)-c1cccc(CN2CCN(CC2)c2ncccn2)c1
Show InChI InChI=1S/C21H21FN4/c22-20-7-2-6-19(15-20)18-5-1-4-17(14-18)16-25-10-12-26(13-11-25)21-23-8-3-9-24-21/h1-9,14-15H,10-13,16H2
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n/an/a 4n/an/an/an/an/an/a



Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone


Bioorg Med Chem Lett 8: 2033-8 (1999)


BindingDB Entry DOI: 10.7270/Q2222V8M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068361
PNG
(2-Methoxy-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccccc2OC)CC1
Show InChI InChI=1S/C21H27N3O3/c1-26-19-9-5-3-7-17(19)21(25)22-11-12-23-13-15-24(16-14-23)18-8-4-6-10-20(18)27-2/h3-10H,11-16H2,1-2H3,(H,22,25)
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n/an/a 4n/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D4.2 by [3H]-YM-09151-2 displacement.


J Med Chem 41: 4903-9 (1998)


Article DOI: 10.1021/jm981041x
BindingDB Entry DOI: 10.7270/Q2S46R3V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM466556
PNG
(4,4-Difluoro-N-{2-[6-(trifluoromethyl)-3′,6&...)
Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1 |t:11|
Show InChI InChI=1S/C20H24F5N3O/c21-19(22)8-4-15(5-9-19)18(29)26-10-13-28-11-6-14(7-12-28)16-2-1-3-17(27-16)20(23,24)25/h1-3,6,15H,4-5,7-13H2,(H,26,29)
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US Patent
n/an/a 4.5n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned b...


US Patent US10800755 (2020)


BindingDB Entry DOI: 10.7270/Q2TM7F5J
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50156950
PNG
(CHEMBL3793910)
Show SMILES COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1F |r|
Show InChI InChI=1S/C19H22FNO3/c1-22-19-8-7-15(11-18(19)20)12-21-9-10-23-17(13-21)14-24-16-5-3-2-4-6-16/h2-8,11,17H,9-10,12-14H2,1H3/t17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128615
BindingDB Entry DOI: 10.7270/Q2DV1PXQ
More data for this
Ligand-Target Pair
D(4) 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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n/an/a 5n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369674
PNG
(CHEMBL1202220)
Show SMILES Clc1ccc(cc1)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C20H23ClN2/c21-18-6-8-19(9-7-18)23-12-10-22(11-13-23)15-17-14-20(17)16-4-2-1-3-5-16/h1-9,17,20H,10-15H2/t17-,20-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50150141
PNG
(2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-1...)
Show SMILES Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C20H24N4/c1-15-7-8-17(13-16(15)2)24-11-9-23(10-12-24)14-20-21-18-5-3-4-6-19(18)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration tested on human D4.4 receptor in HEK293 cells using FLIPR assay


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071208
PNG
((1-Benzyl-piperidin-4-yl)-(3-isopropoxy-pyridin-2-...)
Show SMILES CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H29N3O/c1-17(2)25-20-10-7-13-22-21(20)23(3)19-11-14-24(15-12-19)16-18-8-5-4-6-9-18/h4-10,13,17,19H,11-12,14-16H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone


Bioorg Med Chem Lett 8: 2033-8 (1999)


BindingDB Entry DOI: 10.7270/Q2222V8M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071208
PNG
((1-Benzyl-piperidin-4-yl)-(3-isopropoxy-pyridin-2-...)
Show SMILES CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H29N3O/c1-17(2)25-20-10-7-13-22-21(20)23(3)19-11-14-24(15-12-19)16-18-8-5-4-6-9-18/h4-10,13,17,19H,11-12,14-16H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone


Bioorg Med Chem Lett 8: 2033-8 (1999)


BindingDB Entry DOI: 10.7270/Q2222V8M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50080796
PNG
(7-[4-(3-Chloro-4-methyl-phenyl)-piperazin-1-ylmeth...)
Show SMILES Cc1ccc(cc1Cl)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
Show InChI InChI=1S/C21H21ClN2O2/c1-15-2-6-18(13-19(15)22)24-10-8-23(9-11-24)14-16-3-4-17-5-7-21(25)26-20(17)12-16/h2-7,12-13H,8-11,14H2,1H3
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n/an/a 5.40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
D(4) 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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n/an/a 6n/an/an/an/an/an/a



Hoechst Marion Roussel, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Dopamine receptor D4.2 in CHO cells


J Med Chem 39: 4044-57 (1996)


Article DOI: 10.1021/jm960268u
BindingDB Entry DOI: 10.7270/Q2ST7QH3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369671
PNG
(CHEMBL1202214)
Show SMILES COc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H25FN2O/c1-25-21-14-18(22)7-8-20(21)24-11-9-23(10-12-24)15-17-13-19(17)16-5-3-2-4-6-16/h2-8,14,17,19H,9-13,15H2,1H3/t17-,19-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071214
PNG
(1-[5-(4-Fluoro-phenyl)-pyridin-3-ylmethyl]-4-pheny...)
Show SMILES Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C22H22FN3/c23-21-8-6-19(7-9-21)20-14-18(15-24-16-20)17-25-10-12-26(13-11-25)22-4-2-1-3-5-22/h1-9,14-16H,10-13,17H2
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n/an/a 6n/an/an/an/an/an/a



Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone


Bioorg Med Chem Lett 8: 2033-8 (1999)


BindingDB Entry DOI: 10.7270/Q2222V8M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50030196
PNG
(CHEMBL3354065)
Show SMILES CCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C21H32N2O/c1-2-3-7-18-12-16-22(17-13-18)14-6-15-23-20-9-5-4-8-19(20)10-11-21(23)24/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Antagonist activity at human SP/Myc epitope-tagged dopamine D4 receptor expressed in HEK293T cells assessed as inhibition of dopamine-induced mVenus-...


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50027256
PNG
(Sarizotan)
Show SMILES Fc1ccc(cc1)-c1cncc(CNC[C@H]2CCc3ccccc3O2)c1
Show InChI InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1
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n/an/a<6n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Binding affinity to human dopaminergic D4 receptor


J Med Chem 51: 347-72 (2008)


Article DOI: 10.1021/jm7009364
BindingDB Entry DOI: 10.7270/Q25B039W
More data for this
Ligand-Target Pair
D(4) 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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n/an/a 6.5n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity towards human D4.2 receptor


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071219
PNG
(1-[5-(4-Fluoro-phenyl)-pyridin-3-ylmethyl]-4-pyrid...)
Show SMILES Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2ccccn2)c1
Show InChI InChI=1S/C21H21FN4/c22-20-6-4-18(5-7-20)19-13-17(14-23-15-19)16-25-9-11-26(12-10-25)21-3-1-2-8-24-21/h1-8,13-15H,9-12,16H2
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n/an/a 7n/an/an/an/an/an/a



Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone


Bioorg Med Chem Lett 8: 2033-8 (1999)


BindingDB Entry DOI: 10.7270/Q2222V8M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068377
PNG
(2,5-Dimethoxy-N-{2-[4-(2-methoxy-phenyl)-piperazin...)
Show SMILES COc1ccc(OC)c(c1)C(=O)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C22H29N3O4/c1-27-17-8-9-20(28-2)18(16-17)22(26)23-10-11-24-12-14-25(15-13-24)19-6-4-5-7-21(19)29-3/h4-9,16H,10-15H2,1-3H3,(H,23,26)
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n/an/a 7.80n/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D4.2 by [3H]-YM-09151-2 displacement.


J Med Chem 41: 4903-9 (1998)


Article DOI: 10.1021/jm981041x
BindingDB Entry DOI: 10.7270/Q2S46R3V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM466565
PNG
(US10800755, Example 19 | US11014905, Example 19)
Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCOCC2)CC1 |t:11|
Show InChI InChI=1S/C19H24F3N3O2/c20-19(21,22)17-3-1-2-16(24-17)14-4-9-25(10-5-14)11-8-23-18(26)15-6-12-27-13-7-15/h1-4,15H,5-13H2,(H,23,26)
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US Patent
n/an/a 8n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned b...


US Patent US10800755 (2020)


BindingDB Entry DOI: 10.7270/Q2TM7F5J
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369652
PNG
(CHEMBL1202215)
Show SMILES Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C20H23ClN2/c21-19-8-4-5-9-20(19)23-12-10-22(11-13-23)15-17-14-18(17)16-6-2-1-3-7-16/h1-9,17-18H,10-15H2/t17-,18-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369659
PNG
(CHEMBL1202208)
Show SMILES Cc1ccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c(C)c1 |r|
Show InChI InChI=1S/C22H28N2/c1-17-8-9-22(18(2)14-17)24-12-10-23(11-13-24)16-20-15-21(20)19-6-4-3-5-7-19/h3-9,14,20-21H,10-13,15-16H2,1-2H3/t20-,21-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071218
PNG
(1-(4-Fluoro-phenyl)-4-[5-(4-fluoro-phenyl)-pyridin...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2cncc(c2)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H21F2N3/c23-20-3-1-18(2-4-20)19-13-17(14-25-15-19)16-26-9-11-27(12-10-26)22-7-5-21(24)6-8-22/h1-8,13-15H,9-12,16H2
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n/an/a 8n/an/an/an/an/an/a



Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone


Bioorg Med Chem Lett 8: 2033-8 (1999)


BindingDB Entry DOI: 10.7270/Q2222V8M
More data for this
Ligand-Target Pair
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