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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50395569'   
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))
BDBM50395569
PNG
(CHEMBL2165119 | UNC10099975 | US9156822, 3 or UNC9...)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Show InChI InChI=1S/C23H28Cl2N4O2/c24-18-5-3-6-19(22(18)25)29-13-4-12-28(14-15-29)11-1-2-16-31-21-10-8-17-7-9-20(30)26-23(17)27-21/h3,5-6,8,10H,1-2,4,7,9,11-16H2,(H,26,27,30)
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Article
PubMed
1.20n/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))
BDBM50395569
PNG
(CHEMBL2165119 | UNC10099975 | US9156822, 3 or UNC9...)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Show InChI InChI=1S/C23H28Cl2N4O2/c24-18-5-3-6-19(22(18)25)29-13-4-12-28(14-15-29)11-1-2-16-31-21-10-8-17-7-9-20(30)26-23(17)27-21/h3,5-6,8,10H,1-2,4,7,9,11-16H2,(H,26,27,30)
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US Patent
1.20n/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))
BDBM50395569
PNG
(CHEMBL2165119 | UNC10099975 | US9156822, 3 or UNC9...)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Show InChI InChI=1S/C23H28Cl2N4O2/c24-18-5-3-6-19(22(18)25)29-13-4-12-28(14-15-29)11-1-2-16-31-21-10-8-17-7-9-20(30)26-23(17)27-21/h3,5-6,8,10H,1-2,4,7,9,11-16H2,(H,26,27,30)
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US Patent
2.60n/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))
BDBM50395569
PNG
(CHEMBL2165119 | UNC10099975 | US9156822, 3 or UNC9...)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Show InChI InChI=1S/C23H28Cl2N4O2/c24-18-5-3-6-19(22(18)25)29-13-4-12-28(14-15-29)11-1-2-16-31-21-10-8-17-7-9-20(30)26-23(17)27-21/h3,5-6,8,10H,1-2,4,7,9,11-16H2,(H,26,27,30)
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n/an/an/an/a 1.60n/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))
BDBM50395569
PNG
(CHEMBL2165119 | UNC10099975 | US9156822, 3 or UNC9...)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Show InChI InChI=1S/C23H28Cl2N4O2/c24-18-5-3-6-19(22(18)25)29-13-4-12-28(14-15-29)11-1-2-16-31-21-10-8-17-7-9-20(30)26-23(17)27-21/h3,5-6,8,10H,1-2,4,7,9,11-16H2,(H,26,27,30)
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US Patent
n/an/an/an/a 13n/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))
BDBM50395569
PNG
(CHEMBL2165119 | UNC10099975 | US9156822, 3 or UNC9...)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Show InChI InChI=1S/C23H28Cl2N4O2/c24-18-5-3-6-19(22(18)25)29-13-4-12-28(14-15-29)11-1-2-16-31-21-10-8-17-7-9-20(30)26-23(17)27-21/h3,5-6,8,10H,1-2,4,7,9,11-16H2,(H,26,27,30)
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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