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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 = 'BDBM50077577'   
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))
BDBM50077577
PNG
(7-Fluoro-4-{2-[3-(1H-indol-3-yl)-propylamino]-etho...)
Show SMILES Fc1ccc(OCCNCCCc2c[nH]c3ccccc23)c2CC(=O)Nc12
Show InChI InChI=1S/C21H22FN3O2/c22-17-7-8-19(16-12-20(26)25-21(16)17)27-11-10-23-9-3-4-14-13-24-18-6-2-1-5-15(14)18/h1-2,5-8,13,23-24H,3-4,9-12H2,(H,25,26)
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PC cid
PC sid
UniChem

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Article
PubMed
0.150n/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))
BDBM50077577
PNG
(7-Fluoro-4-{2-[3-(1H-indol-3-yl)-propylamino]-etho...)
Show SMILES Fc1ccc(OCCNCCCc2c[nH]c3ccccc23)c2CC(=O)Nc12
Show InChI InChI=1S/C21H22FN3O2/c22-17-7-8-19(16-12-20(26)25-21(16)17)27-11-10-23-9-3-4-14-13-24-18-6-2-1-5-15(14)18/h1-2,5-8,13,23-24H,3-4,9-12H2,(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3n/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