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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 = 'BDBM50077583'   
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))
BDBM50077583
PNG
(4-(2-Butylamino-ethoxy)-7-chloro-1,3-dihydro-indol...)
Show SMILES CCCCNCCOc1ccc(Cl)c2NC(=O)Cc12
Show InChI InChI=1S/C14H19ClN2O2/c1-2-3-6-16-7-8-19-12-5-4-11(15)14-10(12)9-13(18)17-14/h4-5,16H,2-3,6-9H2,1H3,(H,17,18)
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PC cid
PC sid
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Similars

Article
PubMed
0.840n/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))
BDBM50077583
PNG
(4-(2-Butylamino-ethoxy)-7-chloro-1,3-dihydro-indol...)
Show SMILES CCCCNCCOc1ccc(Cl)c2NC(=O)Cc12
Show InChI InChI=1S/C14H19ClN2O2/c1-2-3-6-16-7-8-19-12-5-4-11(15)14-10(12)9-13(18)17-14/h4-5,16H,2-3,6-9H2,1H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/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