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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 = 'BDBM50075360'   
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))
BDBM50075360
PNG
(3-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-p...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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PubMed
1.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D4 receptor stably expressed in HEK293 cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50075360
PNG
(3-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-p...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
3.60n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair