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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 = 'BDBM50395560'   
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))
BDBM50395560
PNG
(CHEMBL2165122)
Show SMILES FC(F)(F)c1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H28F3N3O2/c25-24(26,27)20-5-1-2-6-22(20)30-14-12-29(13-15-30)11-3-4-16-32-19-9-7-18-8-10-23(31)28-21(18)17-19/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,28,31)
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Article
PubMed
4.20n/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))
BDBM50395560
PNG
(CHEMBL2165122)
Show SMILES FC(F)(F)c1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H28F3N3O2/c25-24(26,27)20-5-1-2-6-22(20)30-14-12-29(13-15-30)11-3-4-16-32-19-9-7-18-8-10-23(31)28-21(18)17-19/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,28,31)
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Article
PubMed
n/an/an/an/a 25n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Agonist activity at human D2L receptor expressed in HEK293T cells coexpressing Gi subunit assessed as inhibition of isoproterenol-stimulated cAMP pro...


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))
BDBM50395560
PNG
(CHEMBL2165122)
Show SMILES FC(F)(F)c1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H28F3N3O2/c25-24(26,27)20-5-1-2-6-22(20)30-14-12-29(13-15-30)11-3-4-16-32-19-9-7-18-8-10-23(31)28-21(18)17-19/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,28,31)
PDB

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PC cid
PC sid
UniChem

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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