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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dopamine receptors; D2 & D4' and Ligand = 'BDBM50048233'   
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50048233
PNG
(1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmet...)
Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured at the cloned human Dopamine receptor D4.2 using [3H]-YM-09151-2 as radioligand.


J Med Chem 41: 4903-9 (1998)


Article DOI: 10.1021/jm981041x
BindingDB Entry DOI: 10.7270/Q2S46R3V
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50048233
PNG
(1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmet...)
Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from human Dopamine receptor D4


J Med Chem 38: 4950-2 (1996)


BindingDB Entry DOI: 10.7270/Q2FX7B33
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50048233
PNG
(1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmet...)
Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
1.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 from human Dopamine receptor D4.2 expressed in baculovirus Sf9 cells


Bioorg Med Chem Lett 7: 1327-1330 (1997)


Article DOI: 10.1016/S0960-894X(97)00218-7
BindingDB Entry DOI: 10.7270/Q2P55NJG
More data for this
Ligand-Target Pair