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Compile Data Set for Download or QSAR

Found 1148 hits with Last Name = 'möller' and Initial = 'd'   
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 D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236959
PNG
(CHEMBL4060461)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(\C=N\O)c3c2)CC1
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0.0940n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236961
PNG
(CHEMBL4063235)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1
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0.160n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236959
PNG
(CHEMBL4060461)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(\C=N\O)c3c2)CC1
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0.160n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50395587
PNG
(CHEMBL2165126 | UNC10000006 | US9156822, 2)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H29Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-7,9,17H,1-2,4,8,10-16H2,(H,27,30)
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0.200n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-Nuernberg

Curated by ChEMBL




J Med Chem 60: 4693-4713 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00363
BindingDB Entry DOI: 10.7270/Q2QC05NH
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236961
PNG
(CHEMBL4063235)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1
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0.25n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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))
BDBM50443101
PNG
(CARIPRAZINE | Cariprazine | RGH-188)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)|
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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0.270n/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 cells by competitive binding assay


J Med Chem 57: 4861-75 (2014)


Article DOI: 10.1021/jm5004039
BindingDB Entry DOI: 10.7270/Q2SN0BH5
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236960
PNG
(CHEMBL4060403)
Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl
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0.300n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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))
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)


BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50018956
PNG
(CHEMBL3287405)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccn4ncc(C#N)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H23Cl2N5O/c23-19-4-3-5-20(22(19)24)28-11-9-27(10-12-28)7-1-2-13-30-18-6-8-29-21(14-18)17(15-25)16-26-29/h3-6,8,14,16H,1-2,7,9-13H2
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0.320n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D2 short receptor expressed in CHO cells by competitive binding assay


J Med Chem 57: 4861-75 (2014)


Article DOI: 10.1021/jm5004039
BindingDB Entry DOI: 10.7270/Q2SN0BH5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
CHEMBL4063145
PNG
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0.350n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




Bioorg Med Chem 25: 5613-5628 (2017)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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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0.380n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




Bioorg Med Chem 25: 5613-5628 (2017)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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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0.380n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-Nuernberg

Curated by ChEMBL




J Med Chem 60: 4693-4713 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00363
BindingDB Entry DOI: 10.7270/Q2QC05NH
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
CHEMBL4063145
PNG
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0.390n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




Bioorg Med Chem 25: 5613-5628 (2017)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443101
PNG
(CARIPRAZINE | Cariprazine | RGH-188)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)|
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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0.410n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D2 short receptor expressed in CHO cells by competitive binding assay


J Med Chem 57: 4861-75 (2014)


Article DOI: 10.1021/jm5004039
BindingDB Entry DOI: 10.7270/Q2SN0BH5
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|
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0.410n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236960
PNG
(CHEMBL4060403)
Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl
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0.410n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D2 short receptor expressed in CHO cells by competitive binding assay


J Med Chem 57: 4861-75 (2014)


Article DOI: 10.1021/jm5004039
BindingDB Entry DOI: 10.7270/Q2SN0BH5
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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))
BDBM50443101
PNG
(CARIPRAZINE | Cariprazine | RGH-188)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)|
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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0.470n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D2 long receptor expressed in CHO cells by competitive binding assay


J Med Chem 57: 4861-75 (2014)


Article DOI: 10.1021/jm5004039
BindingDB Entry DOI: 10.7270/Q2SN0BH5
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)


BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236956
PNG
(CHEMBL4069091)
Show SMILES O\N=C/c1cnn2ccc(NC(=O)CCCN3CCN(CC3)c3cccc(Cl)c3Cl)cc12
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0.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50237164
PNG
(CHEMBL4091064)
Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C#N)c4c3)CC2)c1Cl
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0.520n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236962
PNG
(CHEMBL4096353)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(\C=N/O)c3c2)CC1
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0.520n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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
Dopamine receptor D2L/neurotensin receptor NTS1


(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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0.520n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




Bioorg Med Chem 25: 5613-5628 (2017)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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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0.520n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-Nuernberg

Curated by ChEMBL




J Med Chem 60: 4693-4713 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00363
BindingDB Entry DOI: 10.7270/Q2QC05NH
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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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0.530n/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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50395587
PNG
(CHEMBL2165126 | UNC10000006 | US9156822, 2)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H29Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-7,9,17H,1-2,4,8,10-16H2,(H,27,30)
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0.530n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-Nuernberg

Curated by ChEMBL




J Med Chem 60: 4693-4713 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00363
BindingDB Entry DOI: 10.7270/Q2QC05NH
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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0.540n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D2 long receptor expressed in CHO cells by competitive binding assay


J Med Chem 57: 4861-75 (2014)


Article DOI: 10.1021/jm5004039
BindingDB Entry DOI: 10.7270/Q2SN0BH5
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
CHEMBL4068561
PNG
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0.540n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




Bioorg Med Chem 25: 5613-5628 (2017)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236966
PNG
(CHEMBL4070091)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C#N)c3c2)CC1
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0.550n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236956
PNG
(CHEMBL4069091)
Show SMILES O\N=C/c1cnn2ccc(NC(=O)CCCN3CCN(CC3)c3cccc(Cl)c3Cl)cc12
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0.570n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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))
BDBM50018956
PNG
(CHEMBL3287405)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccn4ncc(C#N)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H23Cl2N5O/c23-19-4-3-5-20(22(19)24)28-11-9-27(10-12-28)7-1-2-13-30-18-6-8-29-21(14-18)17(15-25)16-26-29/h3-6,8,14,16H,1-2,7,9-13H2
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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 D2 long receptor expressed in CHO cells by competitive binding assay


J Med Chem 57: 4861-75 (2014)


Article DOI: 10.1021/jm5004039
BindingDB Entry DOI: 10.7270/Q2SN0BH5
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)


BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
CHEMBL4103639
PNG
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0.580n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




Bioorg Med Chem 25: 5613-5628 (2017)

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|
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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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50237166
PNG
(CHEMBL4097330)
Show SMILES CCCN(CCCCOc1ccc2ccnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
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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
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)


BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50239412
PNG
(CHEMBL4072780)
Show SMILES Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2OCC(=O)Nc12
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0.670n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-Nuernberg

Curated by ChEMBL




J Med Chem 60: 4693-4713 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00363
BindingDB Entry DOI: 10.7270/Q2QC05NH
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
CHEMBL4063145
PNG
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0.670n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




Bioorg Med Chem 25: 5613-5628 (2017)

More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50236737
PNG
(CHEMBL4098803)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3ccnn3c2)CC1
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0.690n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236740
PNG
(CHEMBL4078348)
Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r|
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0.700n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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))
BDBM50239410
PNG
(CHEMBL4100183)
Show SMILES Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2OCC(=O)Nc12
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0.710n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-Nuernberg

Curated by ChEMBL




J Med Chem 60: 4693-4713 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00363
BindingDB Entry DOI: 10.7270/Q2QC05NH
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|
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0.710n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236959
PNG
(CHEMBL4060461)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(\C=N\O)c3c2)CC1
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0.720n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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
Dopamine receptor


(Homo sapiens (Human))
BDBM50236959
PNG
(CHEMBL4060461)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(\C=N\O)c3c2)CC1
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0.730n/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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
CHEMBL4079375
PNG
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0.730n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




Bioorg Med Chem 25: 5613-5628 (2017)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236737
PNG
(CHEMBL4098803)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3ccnn3c2)CC1
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0.740n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50237166
PNG
(CHEMBL4097330)
Show SMILES CCCN(CCCCOc1ccc2ccnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
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0.75n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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|
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0.800n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL




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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50239403
PNG
(CHEMBL4102628)
Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12
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0.810n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-Nuernberg

Curated by ChEMBL




J Med Chem 60: 4693-4713 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00363
BindingDB Entry DOI: 10.7270/Q2QC05NH
More data for this
Ligand-Target Pair
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