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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 = 'BDBM50395555'   
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))
BDBM50395555
PNG
(CHEMBL2165127)
Show SMILES Clc1cccc(N2CCN(CCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c23-18-3-1-4-20(22(18)24)27-12-10-26(11-13-27)9-2-14-29-17-7-5-16-6-8-21(28)25-19(16)15-17/h1,3-5,7,15H,2,6,8-14H2,(H,25,28)
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Article
PubMed
21n/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))
BDBM50395555
PNG
(CHEMBL2165127)
Show SMILES Clc1cccc(N2CCN(CCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c23-18-3-1-4-20(22(18)24)27-12-10-26(11-13-27)9-2-14-29-17-7-5-16-6-8-21(28)25-19(16)15-17/h1,3-5,7,15H,2,6,8-14H2,(H,25,28)
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Article
PubMed
n/an/an/an/a 251n/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))
BDBM50395555
PNG
(CHEMBL2165127)
Show SMILES Clc1cccc(N2CCN(CCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c23-18-3-1-4-20(22(18)24)27-12-10-26(11-13-27)9-2-14-29-17-7-5-16-6-8-21(28)25-19(16)15-17/h1,3-5,7,15H,2,6,8-14H2,(H,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 79n/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