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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with Target = 'Dopamine D2 receptor' AND taxid = 9534   
Target
(Institution)
LigandTarget
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
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50048233
PNG
(1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmet...)
Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3
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0.700n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2


J Med Chem 38: 4950-2 (1996)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50035384
PNG
(Benzyl-[2-(5-bromo-2,3-dimethoxy-phenyl)-3H-imidaz...)
Show SMILES COc1cc(Br)cc(-c2ncc(CN(C)Cc3ccccc3)[nH]2)c1OC
Show InChI InChI=1S/C20H22BrN3O2/c1-24(12-14-7-5-4-6-8-14)13-16-11-22-20(23-16)17-9-15(21)10-18(25-2)19(17)26-3/h4-11H,12-13H2,1-3H3,(H,22,23)
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0.700n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine receptor D2


J Med Chem 38: 2251-5 (1995)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
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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4.80n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine receptor D2


J Med Chem 38: 2251-5 (1995)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
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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5n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2


J Med Chem 38: 4950-2 (1996)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50035388
PNG
(Benzyl-[2-(2,3-dimethoxy-phenyl)-3H-imidazol-4-ylm...)
Show SMILES COc1cccc(-c2ncc(CN(C)Cc3ccccc3)[nH]2)c1OC
Show InChI InChI=1S/C20H23N3O2/c1-23(13-15-8-5-4-6-9-15)14-16-12-21-20(22-16)17-10-7-11-18(24-2)19(17)25-3/h4-12H,13-14H2,1-3H3,(H,21,22)
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5.10n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine receptor D2


J Med Chem 38: 2251-5 (1995)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50048237
PNG
(4-Phenyl-1-(1-phenyl-1H-pyrrol-3-ylmethyl)-1,2,3,6...)
Show SMILES C(N1CCC(=CC1)c1ccccc1)c1ccn(c1)-c1ccccc1
Show InChI InChI=1S/C22H22N2/c1-3-7-20(8-4-1)21-12-14-23(15-13-21)17-19-11-16-24(18-19)22-9-5-2-6-10-22/h1-12,16,18H,13-15,17H2
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6n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2


J Med Chem 38: 4950-2 (1996)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50048234
PNG
(1-Phenyl-4-(1-phenyl-1H-pyrrol-3-ylmethyl)-piperaz...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1ccn(c1)-c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-3-7-20(8-4-1)23-15-13-22(14-16-23)17-19-11-12-24(18-19)21-9-5-2-6-10-21/h1-12,18H,13-17H2
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14n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2


J Med Chem 38: 4950-2 (1996)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50048235
PNG
(4-Phenyl-1-(1-phenyl-1H-pyrrol-3-ylmethyl)-piperid...)
Show SMILES C(N1CCC(CC1)c1ccccc1)c1ccn(c1)-c1ccccc1
Show InChI InChI=1S/C22H24N2/c1-3-7-20(8-4-1)21-12-14-23(15-13-21)17-19-11-16-24(18-19)22-9-5-2-6-10-22/h1-11,16,18,21H,12-15,17H2
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21n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2


J Med Chem 38: 4950-2 (1996)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50048230
PNG
(1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-4-pyridin-2-yl-p...)
Show SMILES C(N1CCN(CC1)c1ccccn1)c1ccn(c1)-c1ccccc1
Show InChI InChI=1S/C20H22N4/c1-2-6-19(7-3-1)24-11-9-18(17-24)16-22-12-14-23(15-13-22)20-8-4-5-10-21-20/h1-11,17H,12-16H2
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25n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2


J Med Chem 38: 4950-2 (1996)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50035385
PNG
(Benzyl-[2-(5-bromo-2-methoxy-phenyl)-3H-imidazol-4...)
Show SMILES COc1ccc(Br)cc1-c1ncc(CN(C)Cc2ccccc2)[nH]1
Show InChI InChI=1S/C19H20BrN3O/c1-23(12-14-6-4-3-5-7-14)13-16-11-21-19(22-16)17-10-15(20)8-9-18(17)24-2/h3-11H,12-13H2,1-2H3,(H,21,22)
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32n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine receptor D2


J Med Chem 38: 2251-5 (1995)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50048239
PNG
(1-Phenyl-8-(1-phenyl-1H-pyrrol-3-ylmethyl)-1,3,8-t...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C24H26N4O/c29-23-24(28(19-25-23)22-9-5-2-6-10-22)12-15-26(16-13-24)17-20-11-14-27(18-20)21-7-3-1-4-8-21/h1-11,14,18H,12-13,15-17,19H2,(H,25,29)
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36n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2


J Med Chem 38: 4950-2 (1996)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50035386
PNG
(Benzyl-[2-(5-chloro-2-methoxy-phenyl)-3H-imidazol-...)
Show SMILES COc1ccc(Cl)cc1-c1ncc(CN(C)Cc2ccccc2)[nH]1
Show InChI InChI=1S/C19H20ClN3O/c1-23(12-14-6-4-3-5-7-14)13-16-11-21-19(22-16)17-10-15(20)8-9-18(17)24-2/h3-11H,12-13H2,1-2H3,(H,21,22)
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45n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine receptor D2


J Med Chem 38: 2251-5 (1995)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50035383
PNG
(Benzyl-[2-(2-methoxy-phenyl)-3H-imidazol-4-ylmethy...)
Show SMILES COc1ccccc1-c1ncc(CN(C)Cc2ccccc2)[nH]1
Show InChI InChI=1S/C19H21N3O/c1-22(13-15-8-4-3-5-9-15)14-16-12-20-19(21-16)17-10-6-7-11-18(17)23-2/h3-12H,13-14H2,1-2H3,(H,20,21)
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74n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine receptor D2


J Med Chem 38: 2251-5 (1995)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50048238
PNG
(4-(4-Chloro-phenyl)-1-(1-phenyl-1H-pyrrol-3-ylmeth...)
Show SMILES OC1(CCN(Cc2ccn(c2)-c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN2O/c23-20-8-6-19(7-9-20)22(26)11-14-24(15-12-22)16-18-10-13-25(17-18)21-4-2-1-3-5-21/h1-10,13,17,26H,11-12,14-16H2
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151n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2


J Med Chem 38: 4950-2 (1996)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50048236
PNG
(1-[1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-piperidin-4-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H24N4O/c28-23-24-21-8-4-5-9-22(21)27(23)20-11-13-25(14-12-20)16-18-10-15-26(17-18)19-6-2-1-3-7-19/h1-10,15,17,20H,11-14,16H2,(H,24,28)
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176n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2


J Med Chem 38: 4950-2 (1996)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50048232
PNG
(1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-4-(3-trifluorome...)
Show SMILES OC1(CCN(Cc2ccn(c2)-c2ccccc2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N2O/c24-23(25,26)20-6-4-5-19(15-20)22(29)10-13-27(14-11-22)16-18-9-12-28(17-18)21-7-2-1-3-8-21/h1-9,12,15,17,29H,10-11,13-14,16H2
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237n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2


J Med Chem 38: 4950-2 (1996)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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254n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine receptor D2


J Med Chem 38: 2251-5 (1995)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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254n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2


J Med Chem 38: 4950-2 (1996)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50369023
PNG
(CHEMBL1794814)
Show SMILES CN(Cc1cnc([nH]1)-c1cccc(F)c1)Cc1ccccc1
Show InChI InChI=1S/C18H18FN3/c1-22(12-14-6-3-2-4-7-14)13-17-11-20-18(21-17)15-8-5-9-16(19)10-15/h2-11H,12-13H2,1H3,(H,20,21)
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460n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine receptor D2


J Med Chem 38: 2251-5 (1995)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50035379
PNG
(Benzyl-[2-(2-fluoro-phenyl)-3H-imidazol-4-ylmethyl...)
Show SMILES CN(Cc1cnc([nH]1)-c1ccccc1F)Cc1ccccc1
Show InChI InChI=1S/C18H18FN3/c1-22(12-14-7-3-2-4-8-14)13-15-11-20-18(21-15)16-9-5-6-10-17(16)19/h2-11H,12-13H2,1H3,(H,20,21)
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560n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine receptor D2


J Med Chem 38: 2251-5 (1995)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50026045
PNG
((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
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873n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2


J Med Chem 38: 4950-2 (1996)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50035381
PNG
(Benzyl-methyl-(2-phenyl-3H-imidazol-4-ylmethyl)-am...)
Show SMILES CN(Cc1cnc([nH]1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C18H19N3/c1-21(13-15-8-4-2-5-9-15)14-17-12-19-18(20-17)16-10-6-3-7-11-16/h2-12H,13-14H2,1H3,(H,19,20)
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1.32E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine receptor D2


J Med Chem 38: 2251-5 (1995)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50035380
PNG
(Benzyl-[2-(4-fluoro-phenyl)-3H-imidazol-4-ylmethyl...)
Show SMILES CN(Cc1cnc([nH]1)-c1ccc(F)cc1)Cc1ccccc1
Show InChI InChI=1S/C18H18FN3/c1-22(12-14-5-3-2-4-6-14)13-17-11-20-18(21-17)15-7-9-16(19)10-8-15/h2-11H,12-13H2,1H3,(H,20,21)
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2.14E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine receptor D2


J Med Chem 38: 2251-5 (1995)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50035382
PNG
(Benzyl-[2-(3-methoxy-phenyl)-3H-imidazol-4-ylmethy...)
Show SMILES COc1cccc(c1)-c1ncc(CN(C)Cc2ccccc2)[nH]1
Show InChI InChI=1S/C19H21N3O/c1-22(13-15-7-4-3-5-8-15)14-17-12-20-19(21-17)16-9-6-10-18(11-16)23-2/h3-12H,13-14H2,1-2H3,(H,20,21)
UniProtKB/SwissProt

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2.23E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine receptor D2


J Med Chem 38: 2251-5 (1995)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50035377
PNG
(Benzyl-[2-(4-methoxy-phenyl)-3H-imidazol-4-ylmethy...)
Show SMILES COc1ccc(cc1)-c1ncc(CN(C)Cc2ccccc2)[nH]1
Show InChI InChI=1S/C19H21N3O/c1-22(13-15-6-4-3-5-7-15)14-17-12-20-19(21-17)16-8-10-18(23-2)11-9-16/h3-12H,13-14H2,1-2H3,(H,20,21)
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3.47E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine receptor D2


J Med Chem 38: 2251-5 (1995)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50035378
PNG
(Benzyl-[2-(3,4-dimethoxy-phenyl)-3H-imidazol-4-ylm...)
Show SMILES COc1ccc(cc1OC)-c1ncc(CN(C)Cc2ccccc2)[nH]1
Show InChI InChI=1S/C20H23N3O2/c1-23(13-15-7-5-4-6-8-15)14-17-12-21-20(22-17)16-9-10-18(24-2)19(11-16)25-3/h4-12H,13-14H2,1-3H3,(H,21,22)
UniProtKB/SwissProt

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PubMed
3.75E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine receptor D2


J Med Chem 38: 2251-5 (1995)

More data for this
Ligand-Target Pair