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Compile Data Set for Download or QSAR

Found 1277 hits with Last Name = 'une' and Initial = 't'   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50160807
PNG
(4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-5,...)
Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1
Show InChI InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3
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0.140n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against recombinant human dopamine receptor D2L in human liver microsomes


Bioorg Med Chem Lett 15: 1055-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.028
BindingDB Entry DOI: 10.7270/Q2Z60NKV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236961
PNG
(CHEMBL4063235)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1
Show InChI InChI=1S/C23H27N5O2/c1-29-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-30-20-8-10-28-22(16-20)19(17-24)18-25-28/h2-3,6-8,10,16,18H,4-5,9,11-15H2,1H3
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0.160n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236961
PNG
(CHEMBL4063235)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1
Show InChI InChI=1S/C23H27N5O2/c1-29-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-30-20-8-10-28-22(16-20)19(17-24)18-25-28/h2-3,6-8,10,16,18H,4-5,9,11-15H2,1H3
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0.25n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2L receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236960
PNG
(CHEMBL4060403)
Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)
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0.300n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2L receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236960
PNG
(CHEMBL4060403)
Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)
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0.410n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237158
PNG
(CHEMBL4071868)
Show SMILES CCCN(CCCCOc1ccc2c(\C=N\O)cnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H32N4O3/c1-2-12-28(21-8-10-23-19(15-21)6-5-7-25(23)30)13-3-4-14-32-22-9-11-24-20(17-27-31)16-26-29(24)18-22/h5-7,9,11,16-18,21,30-31H,2-4,8,10,12-15H2,1H3/b27-17+/t21-/m0/s1
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0.410n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
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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0.450n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Concentration required for the inhibitory activity against human Farnesyltransferase


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
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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0.450n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human farnesyl transferase with 5 nM ATP


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236956
PNG
(CHEMBL4069091)
Show SMILES O\N=C/c1cnn2ccc(NC(=O)CCCN3CCN(CC3)c3cccc(Cl)c3Cl)cc12
Show InChI InChI=1S/C22H24Cl2N6O2/c23-18-3-1-4-19(22(18)24)29-11-9-28(10-12-29)7-2-5-21(31)27-17-6-8-30-20(13-17)16(14-25-30)15-26-32/h1,3-4,6,8,13-15,32H,2,5,7,9-12H2,(H,27,31)/b26-15-
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0.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237164
PNG
(CHEMBL4091064)
Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C#N)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H22Cl2N6O/c23-18-3-1-4-19(22(18)24)29-11-9-28(10-12-29)7-2-5-21(31)27-17-6-8-30-20(13-17)16(14-25)15-26-30/h1,3-4,6,8,13,15H,2,5,7,9-12H2,(H,27,31)
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0.520n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236962
PNG
(CHEMBL4096353)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(\C=N/O)c3c2)CC1
Show InChI InChI=1S/C23H28N6O3/c1-32-22-6-3-2-5-20(22)28-13-11-27(12-14-28)9-4-7-23(30)26-19-8-10-29-21(15-19)18(16-24-29)17-25-31/h2-3,5-6,8,10,15-17,31H,4,7,9,11-14H2,1H3,(H,26,30)/b25-17-
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0.520n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236966
PNG
(CHEMBL4070091)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C#N)c3c2)CC1
Show InChI InChI=1S/C23H26N6O2/c1-31-22-6-3-2-5-20(22)28-13-11-27(12-14-28)9-4-7-23(30)26-19-8-10-29-21(15-19)18(16-24)17-25-29/h2-3,5-6,8,10,15,17H,4,7,9,11-14H2,1H3,(H,26,30)
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0.550n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236966
PNG
(CHEMBL4070091)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C#N)c3c2)CC1
Show InChI InChI=1S/C23H26N6O2/c1-31-22-6-3-2-5-20(22)28-13-11-27(12-14-28)9-4-7-23(30)26-19-8-10-29-21(15-19)18(16-24)17-25-29/h2-3,5-6,8,10,15,17H,4,7,9,11-14H2,1H3,(H,26,30)
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0.550n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236956
PNG
(CHEMBL4069091)
Show SMILES O\N=C/c1cnn2ccc(NC(=O)CCCN3CCN(CC3)c3cccc(Cl)c3Cl)cc12
Show InChI InChI=1S/C22H24Cl2N6O2/c23-18-3-1-4-19(22(18)24)29-11-9-28(10-12-29)7-2-5-21(31)27-17-6-8-30-20(13-17)16(14-25-30)15-26-32/h1,3-4,6,8,13-15,32H,2,5,7,9-12H2,(H,27,31)/b26-15-
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0.570n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2L receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237165
PNG
(CHEMBL4098859)
Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Concentration required for the inhibitory activity against human Farnesyltransferase


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237166
PNG
(CHEMBL4097330)
Show SMILES CCCN(CCCCOc1ccc2ccnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H31N3O2/c1-2-14-26(21-9-11-23-19(17-21)6-5-7-24(23)28)15-3-4-16-29-22-10-8-20-12-13-25-27(20)18-22/h5-8,10,12-13,18,21,28H,2-4,9,11,14-17H2,1H3/t21-/m0/s1
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0.630n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
In vitro binding affinity against Tachykinin receptor 1 in guinea pig ileum using organ bath assay


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50236737
PNG
(CHEMBL4098803)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3ccnn3c2)CC1
Show InChI InChI=1S/C22H28N4O2/c1-27-22-7-3-2-6-21(22)25-15-13-24(14-16-25)12-4-5-17-28-20-9-8-19-10-11-23-26(19)18-20/h2-3,6-11,18H,4-5,12-17H2,1H3
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0.690n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D4 receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236740
PNG
(CHEMBL4078348)
Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237166
PNG
(CHEMBL4097330)
Show SMILES CCCN(CCCCOc1ccc2ccnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H31N3O2/c1-2-14-26(21-9-11-23-19(17-21)6-5-7-24(23)28)15-3-4-16-29-22-10-8-20-12-13-25-27(20)18-22/h5-8,10,12-13,18,21,28H,2-4,9,11,14-17H2,1H3/t21-/m0/s1
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0.710n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236959
PNG
(CHEMBL4060461)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(\C=N\O)c3c2)CC1
Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-31-20-8-10-28-22(16-20)19(17-24-28)18-25-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b25-18+
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0.720n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236959
PNG
(CHEMBL4060461)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(\C=N\O)c3c2)CC1
Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-31-20-8-10-28-22(16-20)19(17-24-28)18-25-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b25-18+
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0.720n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236737
PNG
(CHEMBL4098803)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3ccnn3c2)CC1
Show InChI InChI=1S/C22H28N4O2/c1-27-22-7-3-2-6-21(22)25-15-13-24(14-16-25)12-4-5-17-28-20-9-8-19-10-11-23-26(19)18-20/h2-3,6-11,18H,4-5,12-17H2,1H3
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0.740n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237166
PNG
(CHEMBL4097330)
Show SMILES CCCN(CCCCOc1ccc2ccnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H31N3O2/c1-2-14-26(21-9-11-23-19(17-21)6-5-7-24(23)28)15-3-4-16-29-22-10-8-20-12-13-25-27(20)18-22/h5-8,10,12-13,18,21,28H,2-4,9,11,14-17H2,1H3/t21-/m0/s1
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0.75n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50236740
PNG
(CHEMBL4078348)
Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50160807
PNG
(4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-5,...)
Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1
Show InChI InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3
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0.810n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity against recombinant human 5-hydroxytryptamine 2A receptor in human liver microsomes


Bioorg Med Chem Lett 15: 1055-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.028
BindingDB Entry DOI: 10.7270/Q2Z60NKV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237158
PNG
(CHEMBL4071868)
Show SMILES CCCN(CCCCOc1ccc2c(\C=N\O)cnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H32N4O3/c1-2-12-28(21-8-10-23-19(15-21)6-5-7-25(23)30)13-3-4-14-32-22-9-11-24-20(17-27-31)16-26-29(24)18-22/h5-7,9,11,16-18,21,30-31H,2-4,8,10,12-15H2,1H3/b27-17+/t21-/m0/s1
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0.840n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237165
PNG
(CHEMBL4098859)
Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1
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0.870n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237162
PNG
(CHEMBL4090208)
Show SMILES CCCN(CCCCOc1ccn2ncc(C=O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H31N3O3/c1-2-11-27(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-31-22-10-13-28-24(16-22)20(18-29)17-26-28/h5-7,10,13,16-18,21,30H,2-4,8-9,11-12,14-15H2,1H3/t21-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237164
PNG
(CHEMBL4091064)
Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C#N)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H22Cl2N6O/c23-18-3-1-4-19(22(18)24)29-11-9-28(10-12-29)7-2-5-21(31)27-17-6-8-30-20(13-17)16(14-25)15-26-30/h1,3-4,6,8,13,15H,2,5,7,9-12H2,(H,27,31)
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0.910n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2L receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237169
PNG
(CHEMBL4071185)
Show SMILES CCCN(CCCCOc1ccc2c(C=O)cnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H31N3O3/c1-2-12-27(21-8-10-23-19(15-21)6-5-7-25(23)30)13-3-4-14-31-22-9-11-24-20(18-29)16-26-28(24)17-22/h5-7,9,11,16-18,21,30H,2-4,8,10,12-15H2,1H3/t21-/m0/s1
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0.940n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Inhibitory constant on human somatostatin receptor 5


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236962
PNG
(CHEMBL4096353)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(\C=N/O)c3c2)CC1
Show InChI InChI=1S/C23H28N6O3/c1-32-22-6-3-2-5-20(22)28-13-11-27(12-14-28)9-4-7-23(30)26-19-8-10-29-21(15-19)18(16-24-29)17-25-31/h2-3,5-6,8,10,15-17,31H,4,7,9,11-14H2,1H3,(H,26,30)/b25-17-
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0.970n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2L receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237162
PNG
(CHEMBL4090208)
Show SMILES CCCN(CCCCOc1ccn2ncc(C=O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H31N3O3/c1-2-11-27(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-31-22-10-13-28-24(16-22)20(18-29)17-26-28/h5-7,10,13,16-18,21,30H,2-4,8-9,11-12,14-15H2,1H3/t21-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human farnesyl transferase 5 nM ATP


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236959
PNG
(CHEMBL4060461)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(\C=N\O)c3c2)CC1
Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-31-20-8-10-28-22(16-20)19(17-24-28)18-25-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b25-18+
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1.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2L receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236959
PNG
(CHEMBL4060461)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(\C=N\O)c3c2)CC1
Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-31-20-8-10-28-22(16-20)19(17-24-28)18-25-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b25-18+
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1.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2L receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50236740
PNG
(CHEMBL4078348)
Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D4 receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50236961
PNG
(CHEMBL4063235)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1
Show InChI InChI=1S/C23H27N5O2/c1-29-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-30-20-8-10-28-22(16-20)19(17-24)18-25-28/h2-3,6-8,10,16,18H,4-5,9,11-15H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D4 receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237159
PNG
(CHEMBL4088639)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H27N5O3/c1-31-22-6-3-2-5-20(22)27-13-11-26(12-14-27)9-4-7-23(30)25-19-8-10-28-21(15-19)18(17-29)16-24-28/h2-3,5-6,8,10,15-17H,4,7,9,11-14H2,1H3,(H,25,30)
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1.40n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO cells


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50237166
PNG
(CHEMBL4097330)
Show SMILES CCCN(CCCCOc1ccc2ccnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H31N3O2/c1-2-14-26(21-9-11-23-19(17-21)6-5-7-24(23)28)15-3-4-16-29-22-10-8-20-12-13-25-27(20)18-22/h5-8,10,12-13,18,21,28H,2-4,9,11,14-17H2,1H3/t21-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin catalytic activity after 3 min pre incubation.


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237159
PNG
(CHEMBL4088639)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H27N5O3/c1-31-22-6-3-2-5-20(22)27-13-11-26(12-14-27)9-4-7-23(30)25-19-8-10-28-21(15-19)18(17-29)16-24-28/h2-3,5-6,8,10,15-17H,4,7,9,11-14H2,1H3,(H,25,30)
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1.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50236959
PNG
(CHEMBL4060461)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(\C=N\O)c3c2)CC1
Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-31-20-8-10-28-22(16-20)19(17-24-28)18-25-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b25-18+
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1.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Concentration required for the inhibitory activity against human Farnesyltransferase


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50236959
PNG
(CHEMBL4060461)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(\C=N\O)c3c2)CC1
Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-31-20-8-10-28-22(16-20)19(17-24-28)18-25-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b25-18+
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1.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Concentration required for the inhibitory activity against human Farnesyltransferase


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237169
PNG
(CHEMBL4071185)
Show SMILES CCCN(CCCCOc1ccc2c(C=O)cnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H31N3O3/c1-2-12-27(21-8-10-23-19(15-21)6-5-7-25(23)30)13-3-4-14-31-22-9-11-24-20(18-29)16-26-28(24)17-22/h5-7,9,11,16-18,21,30H,2-4,8,10,12-15H2,1H3/t21-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50236960
PNG
(CHEMBL4060403)
Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)
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1.70n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236965
PNG
(CHEMBL4069145)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1
Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+
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1.70n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236737
PNG
(CHEMBL4098803)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3ccnn3c2)CC1
Show InChI InChI=1S/C22H28N4O2/c1-27-22-7-3-2-6-21(22)25-15-13-24(14-16-25)12-4-5-17-28-20-9-8-19-10-11-23-26(19)18-20/h2-3,6-11,18H,4-5,12-17H2,1H3
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1.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2L receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236963
PNG
(CHEMBL4098236)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H28N4O3/c1-29-23-7-3-2-6-21(23)26-13-11-25(12-14-26)9-4-5-15-30-20-8-10-27-22(16-20)19(18-28)17-24-27/h2-3,6-8,10,16-18H,4-5,9,11-15H2,1H3
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1.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2L receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236958
PNG
(CHEMBL4105030)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(\C=N\O)cc3c2)CC1
Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)9-4-5-15-31-21-8-10-28-20(17-21)16-19(25-28)18-24-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b24-18+
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1.90n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50237165
PNG
(CHEMBL4098859)
Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1
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2n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D4 receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236740
PNG
(CHEMBL4078348)
Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2L receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50237162
PNG
(CHEMBL4090208)
Show SMILES CCCN(CCCCOc1ccn2ncc(C=O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H31N3O3/c1-2-11-27(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-31-22-10-13-28-24(16-22)20(18-29)17-26-28/h5-7,10,13,16-18,21,30H,2-4,8-9,11-12,14-15H2,1H3/t21-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D4 receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
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