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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 = 'BDBM50002170'   
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))
BDBM50002170
PNG
(3-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)Cc1c[nH]c2ccccc12 |c:5|
Show InChI InChI=1S/C22H24N2/c1-2-7-18(8-3-1)19-12-15-24(16-13-19)14-6-9-20-17-23-22-11-5-4-10-21(20)22/h1-5,7-8,10-12,17,23H,6,9,13-16H2
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PC cid
PC sid
UniChem

Similars

PubMed
12n/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))
BDBM50002170
PNG
(3-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)Cc1c[nH]c2ccccc12 |c:5|
Show InChI InChI=1S/C22H24N2/c1-2-7-18(8-3-1)19-12-15-24(16-13-19)14-6-9-20-17-23-22-11-5-4-10-21(20)22/h1-5,7-8,10-12,17,23H,6,9,13-16H2
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 50n/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