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Compile Data Set for Download or QSAR

Found 310 hits with Last Name = 'alam' and Initial = 'i'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine receptor


(Homo sapiens (Human))
BDBM50203821
PNG
(CHEMBL374749 | biphenyl-4-carboxylic acid {4-[4-(2...)
Show SMILES Clc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C27H30ClN3O/c28-25-10-4-5-11-26(25)31-20-18-30(19-21-31)17-7-6-16-29-27(32)24-14-12-23(13-15-24)22-8-2-1-3-9-22/h1-5,8-15H,6-7,16-21H2,(H,29,32)
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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 dopamine D3 expressed in CHO cell membrane


J Med Chem 50: 489-500 (2007)


Article DOI: 10.1021/jm0611152
BindingDB Entry DOI: 10.7270/Q2D21X9M
More data for this
Ligand-Target Pair
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 receptor


(Homo sapiens (Human))
BDBM50203819
PNG
(4-(6-fluoropyridin-2-yl)-N-{4-[4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2cccc(F)n2)CC1
Show InChI InChI=1S/C27H31FN4O2/c1-34-25-9-3-2-8-24(25)32-19-17-31(18-20-32)16-5-4-15-29-27(33)22-13-11-21(12-14-22)23-7-6-10-26(28)30-23/h2-3,6-14H,4-5,15-20H2,1H3,(H,29,33)
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0.370n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 expressed in CHO cell membrane


J Med Chem 50: 489-500 (2007)


Article DOI: 10.1021/jm0611152
BindingDB Entry DOI: 10.7270/Q2D21X9M
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50203820
PNG
(4-(6-fluoropyridin-3-yl)-N-{4-[4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(F)nc2)CC1
Show InChI InChI=1S/C27H31FN4O2/c1-34-25-7-3-2-6-24(25)32-18-16-31(17-19-32)15-5-4-14-29-27(33)22-10-8-21(9-11-22)23-12-13-26(28)30-20-23/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,29,33)
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0.450n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 expressed in CHO cell membrane


J Med Chem 50: 489-500 (2007)


Article DOI: 10.1021/jm0611152
BindingDB Entry DOI: 10.7270/Q2D21X9M
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
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(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
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
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(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
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
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(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
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053417
PNG
(CHEMBL3318851)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCc1cn(CCOCCOCCOCCOCCn2cc(CCC(=O)OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)c3ccc(Cl)cc3)nn2)nn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C62H74Cl2F2N8O10/c63-51-13-9-49(10-14-51)61(25-31-71(32-26-61)29-1-3-57(75)47-5-17-53(65)18-6-47)83-59(77)23-21-55-45-73(69-67-55)35-37-79-39-41-81-43-44-82-42-40-80-38-36-74-46-56(68-70-74)22-24-60(78)84-62(50-11-15-52(64)16-12-50)27-33-72(34-28-62)30-2-4-58(76)48-7-19-54(66)20-8-48/h5-20,45-46H,1-4,21-44H2
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1.60n/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))
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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1.60n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053391
PNG
(CHEMBL3318824)
Show SMILES CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClFNO3/c1-2-23(29)30-24(19-7-9-20(25)10-8-19)13-16-27(17-14-24)15-3-4-22(28)18-5-11-21(26)12-6-18/h5-12H,2-4,13-17H2,1H3
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1.60n/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(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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1.80n/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))
BDBM50053413
PNG
(CHEMBL3318848)
Show SMILES CN(C)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H32ClFN2O3/c1-29(2)17-13-25(32)33-26(21-7-9-22(27)10-8-21)14-18-30(19-15-26)16-3-4-24(31)20-5-11-23(28)12-6-20/h5-12H,3-4,13-19H2,1-2H3
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1.80n/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
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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1.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 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))
BDBM50053413
PNG
(CHEMBL3318848)
Show SMILES CN(C)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H32ClFN2O3/c1-29(2)17-13-25(32)33-26(21-7-9-22(27)10-8-21)14-18-30(19-15-26)16-3-4-24(31)20-5-11-23(28)12-6-20/h5-12H,3-4,13-19H2,1-2H3
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1.90n/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 receptor


(Homo sapiens (Human))
BDBM50119457
PNG
(CHEMBL3613878)
Show SMILES Clc1cccc(N2CCN(CCc3cn(nn3)-c3ccn4nccc4c3)CC2)c1Cl
Show InChI InChI=1S/C21H21Cl2N7/c22-19-2-1-3-20(21(19)23)28-12-10-27(11-13-28)8-5-16-15-30(26-25-16)18-6-9-29-17(14-18)4-7-24-29/h1-4,6-7,9,14-15H,5,8,10-13H2
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2.20n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053411
PNG
(CHEMBL3318847)
Show SMILES CN(CCN(C)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C52H62Cl2F2N4O6/c1-57(31-23-49(63)65-51(41-11-15-43(53)16-12-41)25-33-59(34-26-51)29-3-5-47(61)39-7-19-45(55)20-8-39)37-38-58(2)32-24-50(64)66-52(42-13-17-44(54)18-14-42)27-35-60(36-28-52)30-4-6-48(62)40-9-21-46(56)22-10-40/h7-22H,3-6,23-38H2,1-2H3
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2.20n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053378
PNG
(CHEMBL3318833)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H52Cl2F2N2O6/c49-39-17-13-37(14-18-39)47(25-31-53(32-26-47)29-3-5-43(55)35-9-21-41(51)22-10-35)59-45(57)7-1-2-8-46(58)60-48(38-15-19-40(50)20-16-38)27-33-54(34-28-48)30-4-6-44(56)36-11-23-42(52)24-12-36/h9-24H,1-8,25-34H2
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2.30n/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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50053391
PNG
(CHEMBL3318824)
Show SMILES CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClFNO3/c1-2-23(29)30-24(19-7-9-20(25)10-8-19)13-16-27(17-14-24)15-3-4-22(28)18-5-11-21(26)12-6-18/h5-12H,2-4,13-17H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4.4 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))
BDBM50053380
PNG
(CHEMBL3318835)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C50H56Cl2F2N2O6/c51-41-19-15-39(16-20-41)49(27-33-55(34-28-49)31-5-7-45(57)37-11-23-43(53)24-12-37)61-47(59)9-3-1-2-4-10-48(60)62-50(40-17-21-42(52)22-18-40)29-35-56(36-30-50)32-6-8-46(58)38-13-25-44(54)26-14-38/h11-26H,1-10,27-36H2
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2.5n/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))
BDBM50119500
PNG
(CHEMBL221587)
Show SMILES COc1ccccc1N1CCN(CCCCCNC(=O)c2nnn(Cc3ccccc3)c2C)CC1
Show InChI InChI=1S/C27H36N6O2/c1-22-26(29-30-33(22)21-23-11-5-3-6-12-23)27(34)28-15-9-4-10-16-31-17-19-32(20-18-31)24-13-7-8-14-25(24)35-2/h3,5-8,11-14H,4,9-10,15-21H2,1-2H3,(H,28,34)
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2.5n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50119513
PNG
(CHEMBL425285)
Show SMILES CCCc1c(nnn1Cc1ccccc1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C27H34Cl2N6O/c1-2-9-24-26(31-32-35(24)20-21-10-4-3-5-11-21)27(36)30-14-6-7-15-33-16-18-34(19-17-33)23-13-8-12-22(28)25(23)29/h3-5,8,10-13H,2,6-7,9,14-20H2,1H3,(H,30,36)
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2.5n/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(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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2.5n/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 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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2.60n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 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))
BDBM50053379
PNG
(CHEMBL3318834)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C49H54Cl2F2N2O6/c50-40-18-14-38(15-19-40)48(26-32-54(33-27-48)30-4-6-44(56)36-10-22-42(52)23-11-36)60-46(58)8-2-1-3-9-47(59)61-49(39-16-20-41(51)21-17-39)28-34-55(35-29-49)31-5-7-45(57)37-12-24-43(53)25-13-37/h10-25H,1-9,26-35H2
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2.60n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119503
PNG
(CHEMBL220754)
Show SMILES COc1ccc(Cn2nnc(C(=O)NCCCCCN3CCN(CC3)c3ccccc3OC)c2C)cc1
Show InChI InChI=1S/C28H38N6O3/c1-22-27(30-31-34(22)21-23-11-13-24(36-2)14-12-23)28(35)29-15-7-4-8-16-32-17-19-33(20-18-32)25-9-5-6-10-26(25)37-3/h5-6,9-14H,4,7-8,15-21H2,1-3H3,(H,29,35)
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2.70n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053380
PNG
(CHEMBL3318835)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C50H56Cl2F2N2O6/c51-41-19-15-39(16-20-41)49(27-33-55(34-28-49)31-5-7-45(57)37-11-23-43(53)24-12-37)61-47(59)9-3-1-2-4-10-48(60)62-50(40-17-21-42(52)22-18-40)29-35-56(36-30-50)32-6-8-46(58)38-13-25-44(54)26-14-38/h11-26H,1-10,27-36H2
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2.90n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119509
PNG
(CHEMBL386986)
Show SMILES CCCc1c(nnn1Cc1ccccc1Br)C(=O)NCCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C28H37BrN6O2/c1-3-10-25-27(31-32-35(25)21-22-11-4-5-12-23(22)29)28(36)30-15-8-9-16-33-17-19-34(20-18-33)24-13-6-7-14-26(24)37-2/h4-7,11-14H,3,8-10,15-21H2,1-2H3,(H,30,36)
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3n/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(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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3n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053378
PNG
(CHEMBL3318833)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H52Cl2F2N2O6/c49-39-17-13-37(14-18-39)47(25-31-53(32-26-47)29-3-5-43(55)35-9-21-41(51)22-10-35)59-45(57)7-1-2-8-46(58)60-48(38-15-19-40(50)20-16-38)27-33-54(34-28-48)30-4-6-44(56)36-11-23-42(52)24-12-36/h9-24H,1-8,25-34H2
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3n/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
5-hydroxytryptamine receptor 2A


(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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3.20n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053411
PNG
(CHEMBL3318847)
Show SMILES CN(CCN(C)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C52H62Cl2F2N4O6/c1-57(31-23-49(63)65-51(41-11-15-43(53)16-12-41)25-33-59(34-26-51)29-3-5-47(61)39-7-19-45(55)20-8-39)37-38-58(2)32-24-50(64)66-52(42-13-17-44(54)18-14-42)27-35-60(36-28-52)30-4-6-48(62)40-9-21-46(56)22-10-40/h7-22H,3-6,23-38H2,1-2H3
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3.20n/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))
BDBM50053379
PNG
(CHEMBL3318834)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C49H54Cl2F2N2O6/c50-40-18-14-38(15-19-40)48(26-32-54(33-27-48)30-4-6-44(56)36-10-22-42(52)23-11-36)60-46(58)8-2-1-3-9-47(59)61-49(39-16-20-41(51)21-17-39)28-34-55(35-29-49)31-5-7-45(57)37-12-24-43(53)25-13-37/h10-25H,1-9,26-35H2
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3.30n/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 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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3.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 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))
BDBM50119493
PNG
(CHEMBL3613874)
Show SMILES Clc1cccc(N2CCN(CCCc3cn(nn3)-c3ccn4ncc(C=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C23H23Cl2N7O/c24-20-4-1-5-21(23(20)25)30-11-9-29(10-12-30)7-2-3-18-15-32(28-27-18)19-6-8-31-22(13-19)17(16-33)14-26-31/h1,4-6,8,13-16H,2-3,7,9-12H2
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3.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S 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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053417
PNG
(CHEMBL3318851)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCc1cn(CCOCCOCCOCCOCCn2cc(CCC(=O)OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)c3ccc(Cl)cc3)nn2)nn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C62H74Cl2F2N8O10/c63-51-13-9-49(10-14-51)61(25-31-71(32-26-61)29-1-3-57(75)47-5-17-53(65)18-6-47)83-59(77)23-21-55-45-73(69-67-55)35-37-79-39-41-81-43-44-82-42-40-80-38-36-74-46-56(68-70-74)22-24-60(78)84-62(50-11-15-52(64)16-12-50)27-33-72(34-28-62)30-2-4-58(76)48-7-19-54(66)20-8-48/h5-20,45-46H,1-4,21-44H2
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3.80n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053391
PNG
(CHEMBL3318824)
Show SMILES CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClFNO3/c1-2-23(29)30-24(19-7-9-20(25)10-8-19)13-16-27(17-14-24)15-3-4-22(28)18-5-11-21(26)12-6-18/h5-12H,2-4,13-17H2,1H3
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3.90n/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
5-hydroxytryptamine receptor 2A


(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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4n/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 receptor


(Homo sapiens (Human))
BDBM50119494
PNG
(CHEMBL3613875)
Show SMILES Clc1cccc(N2CCN(CCCCc3cn(nn3)-c3ccn4ncc(C=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C24H25Cl2N7O/c25-21-5-3-6-22(24(21)26)31-12-10-30(11-13-31)8-2-1-4-19-16-33(29-28-19)20-7-9-32-23(14-20)18(17-34)15-27-32/h3,5-7,9,14-17H,1-2,4,8,10-13H2
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4.40n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053390
PNG
(CHEMBL3318845)
Show SMILES CC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClFNO3/c1-17(27)29-23(19-6-8-20(24)9-7-19)12-15-26(16-13-23)14-2-3-22(28)18-4-10-21(25)11-5-18/h4-11H,2-3,12-16H2,1H3
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4.5n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053390
PNG
(CHEMBL3318845)
Show SMILES CC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClFNO3/c1-17(27)29-23(19-6-8-20(24)9-7-19)12-15-26(16-13-23)14-2-3-22(28)18-4-10-21(25)11-5-18/h4-11H,2-3,12-16H2,1H3
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4.5n/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))
BDBM50053415
PNG
(CHEMBL3318850)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCc1cn(CCCCCCCCCCn2cc(CCC(=O)OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)c3ccc(Cl)cc3)nn2)nn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C62H74Cl2F2N8O6/c63-51-21-17-49(18-22-51)61(33-41-71(42-34-61)37-9-11-57(75)47-13-25-53(65)26-14-47)79-59(77)31-29-55-45-73(69-67-55)39-7-5-3-1-2-4-6-8-40-74-46-56(68-70-74)30-32-60(78)80-62(50-19-23-52(64)24-20-50)35-43-72(44-36-62)38-10-12-58(76)48-15-27-54(66)28-16-48/h13-28,45-46H,1-12,29-44H2
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4.90n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50119460
PNG
(CHEMBL3613879)
Show SMILES Clc1cccc(N2CCN(CCCc3cn(nn3)-c3ccn4nccc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H23Cl2N7/c23-20-4-1-5-21(22(20)24)29-13-11-28(12-14-29)9-2-3-17-16-31(27-26-17)19-7-10-30-18(15-19)6-8-25-30/h1,4-8,10,15-16H,2-3,9,11-14H2
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5.30n/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
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