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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50395568'   
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))
BDBM50395568
PNG
(CHEMBL2165120 | UNC10099978 | US9156822, 4)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4ccc(=O)[nH]c4c3)CC2)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O2/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/h3,5-10,17H,1-2,4,11-16H2,(H,27,30)
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Article
PubMed
3.40n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


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))
BDBM50395568
PNG
(CHEMBL2165120 | UNC10099978 | US9156822, 4)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4ccc(=O)[nH]c4c3)CC2)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O2/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/h3,5-10,17H,1-2,4,11-16H2,(H,27,30)
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US Patent
3.40n/an/an/an/an/an/a7.4n/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Membranes prepared as above were resuspended to 1 ug protein/ul (measured by Bradford assay using BSA as standard), and 50 ul were added to each well...


US Patent US9156822 (2015)


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


(Homo sapiens (Human))
BDBM50395568
PNG
(CHEMBL2165120 | UNC10099978 | US9156822, 4)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4ccc(=O)[nH]c4c3)CC2)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O2/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/h3,5-10,17H,1-2,4,11-16H2,(H,27,30)
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Article
PubMed
n/an/an/an/a 2.5n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
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))
BDBM50395568
PNG
(CHEMBL2165120 | UNC10099978 | US9156822, 4)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4ccc(=O)[nH]c4c3)CC2)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O2/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/h3,5-10,17H,1-2,4,11-16H2,(H,27,30)
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US Patent
n/an/an/an/a 2.80n/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))
BDBM50395568
PNG
(CHEMBL2165120 | UNC10099978 | US9156822, 4)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4ccc(=O)[nH]c4c3)CC2)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O2/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/h3,5-10,17H,1-2,4,11-16H2,(H,27,30)
PDB

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US Patent
n/an/an/an/a 1n/an/an/an/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