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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 = 'BDBM50159015'   
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))
BDBM50159015
PNG
(4-Benzyl-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethy...)
Show SMILES C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H25NO2/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)15-19-16-23-20-8-4-5-9-21(20)24-19/h1-9,18-19H,10-16H2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.61n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against Dopamine receptor D2


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50159015
PNG
(4-Benzyl-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethy...)
Show SMILES C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H25NO2/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)15-19-16-23-20-8-4-5-9-21(20)24-19/h1-9,18-19H,10-16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
447n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against dopamine D2 receptor using 0.2 nM [3H]-spiperone


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair