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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 = 'BDBM50019958'   
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))
BDBM50019958
PNG
(4-(4-Chloro-phenyl)-1-[5-(4-fluoro-phenyl)-1H-pyrr...)
Show SMILES OC1(CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClFN2O/c23-18-5-3-17(4-6-18)22(27)11-13-26(14-12-22)15-20-9-10-21(25-20)16-1-7-19(24)8-2-16/h1-10,25,27H,11-15H2
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50019958
PNG
(4-(4-Chloro-phenyl)-1-[5-(4-fluoro-phenyl)-1H-pyrr...)
Show SMILES OC1(CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClFN2O/c23-18-5-3-17(4-6-18)22(27)11-13-26(14-12-22)15-20-9-10-21(25-20)16-1-7-19(24)8-2-16/h1-10,25,27H,11-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum


J Med Chem 31: 1934-40 (1988)


BindingDB Entry DOI: 10.7270/Q2SJ1JMB
More data for this
Ligand-Target Pair