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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 = 'BDBM50403974'   
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


(Homo sapiens (Human))
BDBM50403974
PNG
(CHEMBL84931)
Show SMILES CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21FN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Dopamine receptor D2L


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/S0960-894X(01)00722-3
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50403974
PNG
(CHEMBL84931)
Show SMILES CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21FN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for rat Dopamine receptor D2


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/S0960-894X(01)00722-3
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair