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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 = 'BDBM50523486'   
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))
BDBM50523486
PNG
(CHEMBL4437912)
Show SMILES CCc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1
Show InChI InChI=1S/C20H25N3O/c1-2-16-6-5-7-18(14-16)22-20(24)15-23-12-9-17(10-13-23)19-8-3-4-11-21-19/h3-8,11,14,17H,2,9-10,12-13,15H2,1H3,(H,22,24)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
1.16E+3n/an/an/an/an/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting met...


J Med Chem 62: 3722-3740 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00231
BindingDB Entry DOI: 10.7270/Q20C505J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50523486
PNG
(CHEMBL4437912)
Show SMILES CCc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1
Show InChI InChI=1S/C20H25N3O/c1-2-16-6-5-7-18(14-16)22-20(24)15-23-12-9-17(10-13-23)19-8-3-4-11-21-19/h3-8,11,14,17H,2,9-10,12-13,15H2,1H3,(H,22,24)
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.63E+4n/an/an/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Antagonist activity at human D2L receptor expressed in CHOK1 cells assessed as suppression of dopamine-induced inhibition of forskolin-stimulated cAM...


J Med Chem 62: 3722-3740 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00231
BindingDB Entry DOI: 10.7270/Q20C505J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50523486
PNG
(CHEMBL4437912)
Show SMILES CCc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1
Show InChI InChI=1S/C20H25N3O/c1-2-16-6-5-7-18(14-16)22-20(24)15-23-12-9-17(10-13-23)19-8-3-4-11-21-19/h3-8,11,14,17H,2,9-10,12-13,15H2,1H3,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.76E+4n/an/an/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Antagonist activity at human D2L receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured afte...


J Med Chem 62: 3722-3740 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00231
BindingDB Entry DOI: 10.7270/Q20C505J
More data for this
Ligand-Target Pair