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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50002159'   
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


(Rattus norvegicus (rat))
BDBM50002159
PNG
(1-Methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES Cn1cc(CCCCN2CCC(=CC2)c2ccccc2)c2ccccc12 |c:11|
Show InChI InChI=1S/C24H28N2/c1-25-19-22(23-12-5-6-13-24(23)25)11-7-8-16-26-17-14-21(15-18-26)20-9-3-2-4-10-20/h2-6,9-10,12-14,19H,7-8,11,15-18H2,1H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
15n/an/an/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
Evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes [3H]ADTN, a dopamine agonist


J Med Chem 35: 4020-6 (1992)


BindingDB Entry DOI: 10.7270/Q2K0736G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50002159
PNG
(1-Methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES Cn1cc(CCCCN2CCC(=CC2)c2ccccc2)c2ccccc12 |c:11|
Show InChI InChI=1S/C24H28N2/c1-25-19-22(23-12-5-6-13-24(23)25)11-7-8-16-26-17-14-21(15-18-26)20-9-3-2-4-10-20/h2-6,9-10,12-14,19H,7-8,11,15-18H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 100n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
Evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes 3[H]spiperone, a dopamine antagonist


J Med Chem 35: 4020-6 (1992)


BindingDB Entry DOI: 10.7270/Q2K0736G
More data for this
Ligand-Target Pair