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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM185678'   
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))
BDBM185678
PNG
(UNC10099984 | US9156822, 6)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCNC(=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C24H29Cl2N3O2/c25-21-5-3-6-22(23(21)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-8-7-18-9-10-27-24(30)20(18)17-19/h3,5-8,17H,1-2,4,9-16H2,(H,27,30)
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Similars

US Patent
4.60n/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))
BDBM185678
PNG
(UNC10099984 | US9156822, 6)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCNC(=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C24H29Cl2N3O2/c25-21-5-3-6-22(23(21)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-8-7-18-9-10-27-24(30)20(18)17-19/h3,5-8,17H,1-2,4,9-16H2,(H,27,30)
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US Patent
n/an/an/an/a 6.20n/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))
BDBM185678
PNG
(UNC10099984 | US9156822, 6)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCNC(=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C24H29Cl2N3O2/c25-21-5-3-6-22(23(21)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-8-7-18-9-10-27-24(30)20(18)17-19/h3,5-8,17H,1-2,4,9-16H2,(H,27,30)
PDB

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PC sid
UniChem

Similars

US Patent
n/an/an/an/a 9.87E+3n/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