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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 = 'BDBM50077586'   
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))
BDBM50077586
PNG
(4-(2-{[4-(4-Fluoro-phenyl)-4-oxo-butyl]-methyl-ami...)
Show SMILES CN(CCCC(=O)c1ccc(F)cc1)CCOc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C21H23FN2O3/c1-24(11-3-5-19(25)15-7-9-16(22)10-8-15)12-13-27-20-6-2-4-18-17(20)14-21(26)23-18/h2,4,6-10H,3,5,11-14H2,1H3,(H,23,26)
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PC sid
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Similars

Article
PubMed
3.10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro high binding affinity towards Dopamine receptor D2 by the displacement of [3H]-quinpirole radioligand in rat striatal membranes


J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50077586
PNG
(4-(2-{[4-(4-Fluoro-phenyl)-4-oxo-butyl]-methyl-ami...)
Show SMILES CN(CCCC(=O)c1ccc(F)cc1)CCOc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C21H23FN2O3/c1-24(11-3-5-19(25)15-7-9-16(22)10-8-15)12-13-27-20-6-2-4-18-17(20)14-21(26)23-18/h2,4,6-10H,3,5,11-14H2,1H3,(H,23,26)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro low binding affinity towards Dopamine receptor D2 by the displacement of [3H]-spiperone radioligand in rat striatal membranes


J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair