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Compile Data Set for Download or QSAR

Found 6 hits of ec50 for monomerid = 50395587   
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))
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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Article
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n/an/an/an/a 2n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Partial agonist activity at D2L receptor in human HTLA cells assessed as beta arrestin recruitment at 6 uM after 18 hrs by luminescence assay


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(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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US Patent
n/an/an/an/a 3.30n/an/a7.4n/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Recruitment of β-arrestin to agonist-stimulated D2 receptors was performed using a previously described Tango-type assay (Barnea et al., Proc. N...


US Patent US9156822 (2015)


BindingDB Entry DOI: 10.7270/Q2H41Q6D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(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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US Patent
n/an/an/an/a 126n/an/a7.4n/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
HEK293T cells co-expressing the cAMP biosensor GloSensor-22F (Promega) and hD2 receptors were seeded (10,000 cells/20 ul/well) into white, clear-bott...


US Patent US9156822 (2015)


BindingDB Entry DOI: 10.7270/Q2H41Q6D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(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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n/an/an/an/a 270n/an/an/an/a



Friedrich-Alexander University Erlangen-Nuernberg

Curated by ChEMBL


Assay Description
Partial agonist activity at human D2SR expressed in HEK293T cells co-expressing (EA)beta-arrestin2 and GRK2 assessed as induction of beta-arrestin2 r...


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
5-hydroxytryptamine receptor 1A


(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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US Patent
n/an/an/an/a 2.50E+3n/an/a7.4n/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Cell Culture: Chinese Hamster Ovary (CHO) cells stably expressing the hD2L dopamine receptor (Urban et al., Neuropsychopharmacology 32:67 (2007)) wer...


US Patent US9156822 (2015)


BindingDB Entry DOI: 10.7270/Q2H41Q6D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(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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Article
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n/an/an/an/a>5.00E+3n/an/an/an/a



Friedrich-Alexander University Erlangen-Nuernberg

Curated by ChEMBL


Assay Description
Agonist activity at human D2S receptor expressed in HEK293T cell membranes coexpressing Galphao1 assessed as induction of nucleotide exchange preincu...


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