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Compile Data Set for Download or QSAR

Found 1676 hits from Friedrich-Alexander University   
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
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50167072
PNG
(CHEMBL3799125)
Show SMILES COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.120n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D2 long


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25771
PNG
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)
Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1
Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
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0.180n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119386
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C24H29N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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0.230n/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
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50166979
PNG
(CHEMBL3798748)
Show SMILES COc1cc(CCNC[C@H](O)c2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C28H32N2O6/c1-34-25-16-20(9-12-24(25)35-15-5-8-19-6-3-2-4-7-19)13-14-29-17-23(32)21-10-11-22(31)27-28(21)36-18-26(33)30-27/h2-4,6-7,9-12,16,23,29,31-32H,5,8,13-15,17-18H2,1H3,(H,30,33)/t23-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.25n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50184795
PNG
(1-(2-methoxyphenyl)-4-((1-phenyl-1H-pyrazol-4-yl)m...)
Show SMILES COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C21H24N4O/c1-26-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-18-15-22-25(17-18)19-7-3-2-4-8-19/h2-10,15,17H,11-14,16H2,1H3
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0.280n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119462
PNG
(CHEMBL3613880)
Show SMILES Clc1cccc(N2CCN(CCCCc3cn(nn3)-c3ccn4nccc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N7/c24-21-5-3-6-22(23(21)25)30-14-12-29(13-15-30)10-2-1-4-18-17-32(28-27-18)20-8-11-31-19(16-20)7-9-26-31/h3,5-9,11,16-17H,1-2,4,10,12-15H2
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0.310n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 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))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.330n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Biniding affinity for Dopamine receptor D4


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50184793
PNG
(1-(2-methoxyphenyl)-4-((1-(pyridin-2-yl)-1H-pyrazo...)
Show SMILES COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccn2)CC1
Show InChI InChI=1S/C20H23N5O/c1-26-19-7-3-2-6-18(19)24-12-10-23(11-13-24)15-17-14-22-25(16-17)20-8-4-5-9-21-20/h2-9,14,16H,10-13,15H2,1H3
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0.440n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053408
PNG
(HALOPERIDOL DECANOATE | Haldol | Haldol Dec | Halo...)
Show SMILES CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H41ClFNO3/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25/h12-19H,2-11,20-24H2,1H3
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0.460n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2short receptor stably expressed in CHO cell membranes by competitive binding assay


Bioorg Med Chem Lett 24: 3753-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.079
BindingDB Entry DOI: 10.7270/Q2FF3V0M
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50167066
PNG
(CHEMBL3800400)
Show SMILES COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C29H32N2O5/c1-35-27-18-21(9-13-26(27)36-17-5-8-20-6-3-2-4-7-20)15-16-30-19-25(33)22-10-12-24(32)29-23(22)11-14-28(34)31-29/h2-4,6-7,9-14,18,25,30,32-33H,5,8,15-17,19H2,1H3,(H,31,34)/t25-/m0/s1
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0.480n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
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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0.480n/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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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0.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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0.5n/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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50094505
PNG
(2-((4-phenylpiperazin-1-yl)methyl)-1H-indole-5-car...)
Show SMILES N#Cc1ccc2[nH]c(CN3CCN(CC3)c3ccccc3)cc2c1
Show InChI InChI=1S/C20H20N4/c21-14-16-6-7-20-17(12-16)13-18(22-20)15-23-8-10-24(11-9-23)19-4-2-1-3-5-19/h1-7,12-13,22H,8-11,15H2
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0.520n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D4.4 expressed in CHO cells


J Med Chem 43: 4563-9 (2000)


Article DOI: 10.1021/jm0009989
BindingDB Entry DOI: 10.7270/Q2736RM8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50116767
PNG
(CHEMBL310867 | Dipropyl-(S)-1,2,3,4-tetrahydro-pyr...)
Show SMILES CCCN(CCC)[C@H]1CCc2nn3ccccc3c2C1
Show InChI InChI=1S/C17H25N3/c1-3-10-19(11-4-2)14-8-9-16-15(13-14)17-7-5-6-12-20(17)18-16/h5-7,12,14H,3-4,8-11,13H2,1-2H3/t14-/m0/s1
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0.540n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity of compound measured using [3H]-spiperone for the cloned human Dopamine receptor D3 (high/low affinity is given as 0.54/59)


Bioorg Med Chem Lett 12: 2377-80 (2002)


Article DOI: 10.1016/s0960-894x(02)00390-6
BindingDB Entry DOI: 10.7270/Q2Z89BRG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119383
PNG
(Benzo[b]tellurophene-2-carboxylic acid {4-[4-(2,3-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)C3=Cc4ccccc4[Te]3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OTe/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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0.550n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119508
PNG
(CHEMBL217981)
Show SMILES COc1ccccc1N1CCN(CCCCCNC(=O)c2nnn(Cc3ccccc3Br)c2C)CC1
Show InChI InChI=1S/C27H35BrN6O2/c1-21-26(30-31-34(21)20-22-10-4-5-11-23(22)28)27(35)29-14-8-3-9-15-32-16-18-33(19-17-32)24-12-6-7-13-25(24)36-2/h4-7,10-13H,3,8-9,14-20H2,1-2H3,(H,29,35)
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0.580n/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))
BDBM50184792
PNG
(4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,...)
Show SMILES C(N1CCC(=CC1)c1ccccc1)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C21H21N3/c1-3-7-19(8-4-1)20-11-13-23(14-12-20)16-18-15-22-24(17-18)21-9-5-2-6-10-21/h1-11,15,17H,12-14,16H2
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0.590n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
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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0.620n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D4 stably expressed in CHO cells by [3H]spiperone displacement.


Bioorg Med Chem Lett 12: 633-6 (2002)


Article DOI: 10.1016/s0960-894x(01)00814-9
BindingDB Entry DOI: 10.7270/Q2JM2B5X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50119462
PNG
(CHEMBL3613880)
Show SMILES Clc1cccc(N2CCN(CCCCc3cn(nn3)-c3ccn4nccc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N7/c24-21-5-3-6-22(23(21)25)30-14-12-29(13-15-30)10-2-1-4-18-17-32(28-27-18)20-8-11-31-19(16-20)7-9-26-31/h3,5-9,11,16-17H,1-2,4,10,12-15H2
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0.640n/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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119392
PNG
(CHEMBL141845 | N-(2-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C21H25N5O2/c1-28-20-8-3-2-7-19(20)25-14-12-24(13-15-25)11-9-22-21(27)17-16-23-26-10-5-4-6-18(17)26/h2-8,10,16H,9,11-15H2,1H3,(H,22,27)
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0.670n/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))
BDBM50119392
PNG
(CHEMBL141845 | N-(2-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C21H25N5O2/c1-28-20-8-3-2-7-19(20)25-14-12-24(13-15-25)11-9-22-21(27)17-16-23-26-10-5-4-6-18(17)26/h2-8,10,16H,9,11-15H2,1H3,(H,22,27)
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0.670n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Biniding affinity for Dopamine receptor D4


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119376
PNG
(Benzo[b]tellurophene-2-carboxylic acid {4-[4-(2-me...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C2=Cc3ccccc3[Te]2)CC1
Show InChI InChI=1S/C24H29N3O2Te/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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0.680n/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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50184804
PNG
(1-(2-fluorophenyl)-4-((1-phenyl-1H-pyrazol-4-yl)me...)
Show SMILES Fc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C20H21FN4/c21-19-8-4-5-9-20(19)24-12-10-23(11-13-24)15-17-14-22-25(16-17)18-6-2-1-3-7-18/h1-9,14,16H,10-13,15H2
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0.700n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
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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0.810n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2long receptor stably expressed in CHO cell membranes by competitive binding assay


Bioorg Med Chem Lett 24: 3753-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.079
BindingDB Entry DOI: 10.7270/Q2FF3V0M
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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0.850n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2short receptor stably expressed in CHO cell membranes by competitive binding assay


Bioorg Med Chem Lett 24: 3753-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.079
BindingDB Entry DOI: 10.7270/Q2FF3V0M
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50116766
PNG
((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...)
Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1
Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
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0.870n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity of compound measured using [3H]-spiperone for the cloned human dopamine receptor D2 long (high/low affinity is given as 9.0/1800)


Bioorg Med Chem Lett 12: 2377-80 (2002)


Article DOI: 10.1016/s0960-894x(02)00390-6
BindingDB Entry DOI: 10.7270/Q2Z89BRG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50116766
PNG
((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...)
Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1
Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
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0.880n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
High inhibition constant against [3H]-spiperone binding to human Dopamine receptor D3 expressed in CHO cells


J Med Chem 48: 2493-508 (2005)


Article DOI: 10.1021/jm049269+
BindingDB Entry DOI: 10.7270/Q2TT4QGT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50167073
PNG
(CHEMBL3798017)
Show SMILES COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/m1/s1
PDB
MMDB

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0.880n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119510
PNG
(CHEMBL221129)
Show SMILES CCCc1c(nnn1Cc1ccccc1Br)C(=O)NCCCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C29H39BrN6O2/c1-3-11-26-28(32-33-36(26)22-23-12-5-6-13-24(23)30)29(37)31-16-9-4-10-17-34-18-20-35(21-19-34)25-14-7-8-15-27(25)38-2/h5-8,12-15H,3-4,9-11,16-22H2,1-2H3,(H,31,37)
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0.910n/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 receptor


(Homo sapiens (Human))
BDBM50104341
PNG
(1-Phenyl-4-((R)-2-phenyl-4,5-dihydro-1H-imidazol-4...)
Show SMILES C([C@H]1CNC(=N1)c1ccccc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H24N4/c1-3-7-17(8-4-1)20-21-15-18(22-20)16-23-11-13-24(14-12-23)19-9-5-2-6-10-19/h1-10,18H,11-16H2,(H,21,22)/t18-/m1/s1
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0.950n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro for its ability to displace [3H]- spiperone from cloned human dopamine D2 long receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 2533-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00484-x
BindingDB Entry DOI: 10.7270/Q27P8ZWZ
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50184800
PNG
(1-Phenyl-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piper...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C20H22N4/c1-3-7-19(8-4-1)23-13-11-22(12-14-23)16-18-15-21-24(17-18)20-9-5-2-6-10-20/h1-10,15,17H,11-14,16H2
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1n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053416
PNG
(CHEMBL3317465)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCc1cn(CCOCCOCCOCCn2cc(CCC(=O)OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)c3ccc(Cl)cc3)nn2)nn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C60H70Cl2F2N8O9/c61-49-13-9-47(10-14-49)59(25-31-69(32-26-59)29-1-3-55(73)45-5-17-51(63)18-6-45)80-57(75)23-21-53-43-71(67-65-53)35-37-77-39-41-79-42-40-78-38-36-72-44-54(66-68-72)22-24-58(76)81-60(48-11-15-50(62)16-12-48)27-33-70(34-28-60)30-2-4-56(74)46-7-19-52(64)20-8-46/h5-20,43-44H,1-4,21-42H2
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1n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2long receptor stably expressed in CHO cell membranes by competitive binding assay


Bioorg Med Chem Lett 24: 3753-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.079
BindingDB Entry DOI: 10.7270/Q2FF3V0M
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50184806
PNG
(1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-ph...)
Show SMILES Cc1nn(cc1CN1CCN(CC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H24N4/c1-18-19(17-25(22-18)21-10-6-3-7-11-21)16-23-12-14-24(15-13-23)20-8-4-2-5-9-20/h2-11,17H,12-16H2,1H3
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1n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50094503
PNG
(2-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-1H-in...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2cc3cc(ccc3[nH]2)C#N)CC1
Show InChI InChI=1S/C20H19FN4/c21-17-2-4-19(5-3-17)25-9-7-24(8-10-25)14-18-12-16-11-15(13-22)1-6-20(16)23-18/h1-6,11-12,23H,7-10,14H2
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1n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D4.4 expressed in CHO cells


J Med Chem 43: 4563-9 (2000)


Article DOI: 10.1021/jm0009989
BindingDB Entry DOI: 10.7270/Q2736RM8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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1.10n/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(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



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2short receptor expressed in CHO cells


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053409
PNG
(CHEMBL3318846)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCN1CCN(CCC(=O)OC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C52H60Cl2F2N4O6/c53-43-13-9-41(10-14-43)51(23-31-57(32-24-51)27-1-3-47(61)39-5-17-45(55)18-6-39)65-49(63)21-29-59-35-37-60(38-36-59)30-22-50(64)66-52(42-11-15-44(54)16-12-42)25-33-58(34-26-52)28-2-4-48(62)40-7-19-46(56)20-8-40/h5-20H,1-4,21-38H2
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1.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2short receptor stably expressed in CHO cell membranes by competitive binding assay


Bioorg Med Chem Lett 24: 3753-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.079
BindingDB Entry DOI: 10.7270/Q2FF3V0M
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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1.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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1.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on the high affinity site of Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


Article DOI: 10.1021/jm991098z
BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50109952
PNG
(3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-7-eth...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)C#C)CC1
Show InChI InChI=1S/C20H19ClN4/c1-2-18-4-3-5-20-16(14-22-25(18)20)15-23-10-12-24(13-11-23)19-8-6-17(21)7-9-19/h1,3-9,14H,10-13,15H2
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1.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D4 stably expressed in CHO cells by [3H]spiperone displacement.


Bioorg Med Chem Lett 12: 633-6 (2002)


Article DOI: 10.1016/s0960-894x(01)00814-9
BindingDB Entry DOI: 10.7270/Q2JM2B5X
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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1.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D2 long


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053414
PNG
(CHEMBL3318849)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCc1cn(CCCCCCCCn2cc(CCC(=O)OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)c3ccc(Cl)cc3)nn2)nn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C60H70Cl2F2N8O6/c61-49-19-15-47(16-20-49)59(31-39-69(40-32-59)35-7-9-55(73)45-11-23-51(63)24-12-45)77-57(75)29-27-53-43-71(67-65-53)37-5-3-1-2-4-6-38-72-44-54(66-68-72)28-30-58(76)78-60(48-17-21-50(62)22-18-48)33-41-70(42-34-60)36-8-10-56(74)46-13-25-52(64)26-14-46/h11-26,43-44H,1-10,27-42H2
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1.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2long receptor stably expressed in CHO cell membranes by competitive binding assay


Bioorg Med Chem Lett 24: 3753-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.079
BindingDB Entry DOI: 10.7270/Q2FF3V0M
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50094499
PNG
(2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-in...)
Show SMILES Clc1ccccc1N1CCN(Cc2cc3cc(ccc3[nH]2)C#N)CC1
Show InChI InChI=1S/C20H19ClN4/c21-18-3-1-2-4-20(18)25-9-7-24(8-10-25)14-17-12-16-11-15(13-22)5-6-19(16)23-17/h1-6,11-12,23H,7-10,14H2
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1.40n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D4.4 expressed in CHO cells


J Med Chem 43: 4563-9 (2000)


Article DOI: 10.1021/jm0009989
BindingDB Entry DOI: 10.7270/Q2736RM8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119380
PNG
(CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
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1.40n/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(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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1.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D2long receptor expressed in CHO cells


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50109944
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-7-eth...)
Show SMILES Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)C#C
Show InChI InChI=1S/C21H21ClN4/c1-3-18-5-4-6-21-20(16(2)23-26(18)21)15-24-11-13-25(14-12-24)19-9-7-17(22)8-10-19/h1,4-10H,11-15H2,2H3
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1.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D4 stably expressed in CHO cells by [3H]spiperone displacement.


Bioorg Med Chem Lett 12: 633-6 (2002)


Article DOI: 10.1016/s0960-894x(01)00814-9
BindingDB Entry DOI: 10.7270/Q2JM2B5X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119515
PNG
(CHEMBL221866)
Show SMILES COc1ccc(Cn2nnc(C(=O)NCCCCCN3CCN(CC3)c3cccc(Cl)c3Cl)c2C)cc1
Show InChI InChI=1S/C27H34Cl2N6O2/c1-20-26(31-32-35(20)19-21-9-11-22(37-2)12-10-21)27(36)30-13-4-3-5-14-33-15-17-34(18-16-33)24-8-6-7-23(28)25(24)29/h6-12H,3-5,13-19H2,1-2H3,(H,30,36)
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1.5n/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
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