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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50395571'   
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))
BDBM50395571
PNG
(CHEMBL2165117 | UNC10099981 | US9156822, 32)
Show SMILES Clc1cccc(N2CCN(CCCOc3ccc4CCNC(=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c23-19-3-1-4-20(21(19)24)27-12-10-26(11-13-27)9-2-14-29-17-6-5-16-7-8-25-22(28)18(16)15-17/h1,3-6,15H,2,7-14H2,(H,25,28)
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18n/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))
BDBM50395571
PNG
(CHEMBL2165117 | UNC10099981 | US9156822, 32)
Show SMILES Clc1cccc(N2CCN(CCCOc3ccc4CCNC(=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c23-19-3-1-4-20(21(19)24)27-12-10-26(11-13-27)9-2-14-29-17-6-5-16-7-8-25-22(28)18(16)15-17/h1,3-6,15H,2,7-14H2,(H,25,28)
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US Patent
18n/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))
BDBM50395571
PNG
(CHEMBL2165117 | UNC10099981 | US9156822, 32)
Show SMILES Clc1cccc(N2CCN(CCCOc3ccc4CCNC(=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c23-19-3-1-4-20(21(19)24)27-12-10-26(11-13-27)9-2-14-29-17-6-5-16-7-8-25-22(28)18(16)15-17/h1,3-6,15H,2,7-14H2,(H,25,28)
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n/an/an/an/a 20n/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))
BDBM50395571
PNG
(CHEMBL2165117 | UNC10099981 | US9156822, 32)
Show SMILES Clc1cccc(N2CCN(CCCOc3ccc4CCNC(=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c23-19-3-1-4-20(21(19)24)27-12-10-26(11-13-27)9-2-14-29-17-6-5-16-7-8-25-22(28)18(16)15-17/h1,3-6,15H,2,7-14H2,(H,25,28)
Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC sid
UniChem
US Patent
n/an/an/an/a 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