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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(4) dopamine receptor' and Ligand = 'BDBM50059504'   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50059504
PNG
(8-Methoxy-3-(4-methyl-benzyl)-1,2,3,4-tetrahydro-c...)
Show SMILES COc1ccc2c3CCN(Cc4ccc(C)cc4)Cc3c(=O)oc2c1
Show InChI InChI=1S/C21H21NO3/c1-14-3-5-15(6-4-14)12-22-10-9-17-18-8-7-16(24-2)11-20(18)25-21(23)19(17)13-22/h3-8,11H,9-10,12-13H2,1-2H3
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PC sid
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2.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50059504
PNG
(8-Methoxy-3-(4-methyl-benzyl)-1,2,3,4-tetrahydro-c...)
Show SMILES COc1ccc2c3CCN(Cc4ccc(C)cc4)Cc3c(=O)oc2c1
Show InChI InChI=1S/C21H21NO3/c1-14-3-5-15(6-4-14)12-22-10-9-17-18-8-7-16(24-2)11-20(18)25-21(23)19(17)13-22/h3-8,11H,9-10,12-13H2,1-2H3
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Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair