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Compile Data Set for Download or QSAR

Found 601 hits with Last Name = 'müller' and Initial = 'p'   
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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<0.200n/an/an/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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
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(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))
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
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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0.530n/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))
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(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
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))
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))
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))
BDBM50237158
PNG
(CHEMBL4071868)
Show SMILES CCCN(CCCCOc1ccc2c(\C=N\O)cnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
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0.840n/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))
BDBM50237165
PNG
(CHEMBL4098859)
Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r|
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0.870n/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))
BDBM50237162
PNG
(CHEMBL4090208)
Show SMILES CCCN(CCCCOc1ccn2ncc(C=O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r|
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0.900n/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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0.910n/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))
BDBM50237169
PNG
(CHEMBL4071185)
Show SMILES CCCN(CCCCOc1ccc2c(C=O)cnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
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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
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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0.970n/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))
BDBM50236966
PNG
(CHEMBL4070091)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C#N)c3c2)CC1
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1.10n/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))
BDBM50237162
PNG
(CHEMBL4090208)
Show SMILES CCCN(CCCCOc1ccn2ncc(C=O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r|
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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
Dopamine receptor


(Homo sapiens (Human))
BDBM50236740
PNG
(CHEMBL4078348)
Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r|
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1.20n/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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1.20n/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))
BDBM50236961
PNG
(CHEMBL4063235)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1
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1.30n/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))
BDBM50237159
PNG
(CHEMBL4088639)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C=O)c3c2)CC1
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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
Dopamine receptor


(Homo sapiens (Human))
BDBM50237166
PNG
(CHEMBL4097330)
Show SMILES CCCN(CCCCOc1ccc2ccnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
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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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50237159
PNG
(CHEMBL4088639)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C=O)c3c2)CC1
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1.5n/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
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50236959
PNG
(CHEMBL4060461)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(\C=N\O)c3c2)CC1
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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
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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1.5n/an/an/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...


Bioorg Med Chem 24: 4008-4015 (2016)


BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237169
PNG
(CHEMBL4071185)
Show SMILES CCCN(CCCCOc1ccc2c(C=O)cnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
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1.60n/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))
BDBM50236965
PNG
(CHEMBL4069145)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1
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1.70n/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))
BDBM50236960
PNG
(CHEMBL4060403)
Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl
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1.70n/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))
BDBM50236737
PNG
(CHEMBL4098803)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3ccnn3c2)CC1
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1.80n/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))
BDBM50236963
PNG
(CHEMBL4098236)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C=O)c3c2)CC1
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1.80n/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))
BDBM50236958
PNG
(CHEMBL4105030)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(\C=N\O)cc3c2)CC1
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1.90n/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))
BDBM50237165
PNG
(CHEMBL4098859)
Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r|
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2n/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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2.10n/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))
BDBM50237162
PNG
(CHEMBL4090208)
Show SMILES CCCN(CCCCOc1ccn2ncc(C=O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r|
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2.20n/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
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