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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 = 'BDBM50251327'   
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))
BDBM50251327
PNG
((R)-2-Butoxy-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CCCCOc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(O)c4-c(c1)c23 |r|
Show InChI InChI=1S/C21H25NO3/c1-3-4-9-25-15-10-14-7-8-22(2)17-11-13-5-6-18(23)21(24)20(13)16(12-15)19(14)17/h5-6,10,12,17,23-24H,3-4,7-9,11H2,1-2H3/t17-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
60n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat dopamine D2(short) receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50251327
PNG
((R)-2-Butoxy-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CCCCOc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(O)c4-c(c1)c23 |r|
Show InChI InChI=1S/C21H25NO3/c1-3-4-9-25-15-10-14-7-8-22(2)17-11-13-5-6-18(23)21(24)20(13)16(12-15)19(14)17/h5-6,10,12,17,23-24H,3-4,7-9,11H2,1-2H3/t17-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 58n/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Agonist activity at rat dopamine D2(short) receptor expressed in CHOK1 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair