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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 = 'BDBM185693'   
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))
BDBM185693
PNG
(UNC10099988 | US9156822, 34)
Show SMILES Clc1cccc(N2CCN(CCCOc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1Cl
Show InChI InChI=1S/C20H22Cl2N4O2/c21-15-3-1-4-18(19(15)22)26-10-8-25(9-11-26)7-2-12-28-14-5-6-16-17(13-14)24-20(27)23-16/h1,3-6,13H,2,7-12H2,(H2,23,24,27)
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UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
US Patent
25n/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))
BDBM185693
PNG
(UNC10099988 | US9156822, 34)
Show SMILES Clc1cccc(N2CCN(CCCOc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1Cl
Show InChI InChI=1S/C20H22Cl2N4O2/c21-15-3-1-4-18(19(15)22)26-10-8-25(9-11-26)7-2-12-28-14-5-6-16-17(13-14)24-20(27)23-16/h1,3-6,13H,2,7-12H2,(H2,23,24,27)
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 25n/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))
BDBM185693
PNG
(UNC10099988 | US9156822, 34)
Show SMILES Clc1cccc(N2CCN(CCCOc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1Cl
Show InChI InChI=1S/C20H22Cl2N4O2/c21-15-3-1-4-18(19(15)22)26-10-8-25(9-11-26)7-2-12-28-14-5-6-16-17(13-14)24-20(27)23-16/h1,3-6,13H,2,7-12H2,(H2,23,24,27)
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 512n/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))
BDBM185693
PNG
(UNC10099988 | US9156822, 34)
Show SMILES Clc1cccc(N2CCN(CCCOc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1Cl
Show InChI InChI=1S/C20H22Cl2N4O2/c21-15-3-1-4-18(19(15)22)26-10-8-25(9-11-26)7-2-12-28-14-5-6-16-17(13-14)24-20(27)23-16/h1,3-6,13H,2,7-12H2,(H2,23,24,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 36n/an/an/an/a



Intra-Cellular Therapies, Inc.

US Patent




US Patent US8598119 (2013)


BindingDB Entry DOI: 10.7270/Q28K77RC
More data for this
Ligand-Target Pair