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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 = 'BDBM50336862'   
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))
BDBM50336862
PNG
(CHEMBL1672311 | N-ethyl-2-fluoropropanoxy-11-monoh...)
Show SMILES CCN1CCc2cc(OCCCF)cc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C21H24FNO2/c1-2-23-9-7-15-11-16(25-10-4-8-22)13-17-20(15)18(23)12-14-5-3-6-19(24)21(14)17/h3,5-6,11,13,18,24H,2,4,7-10,12H2,1H3/t18-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336862
PNG
(CHEMBL1672311 | N-ethyl-2-fluoropropanoxy-11-monoh...)
Show SMILES CCN1CCc2cc(OCCCF)cc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C21H24FNO2/c1-2-23-9-7-15-11-16(25-10-4-8-22)13-17-20(15)18(23)12-14-5-3-6-19(24)21(14)17/h3,5-6,11,13,18,24H,2,4,7-10,12H2,1H3/t18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
400n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D2 receptor low binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair