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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM50387562'   
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(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387562
PNG
(CHEMBL2057454)
Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(O)c(OC)c34)Cc2c(OC)c1 |r|
Show InChI InChI=1S/C21H25NO5/c1-24-14-7-13-8-16-19-12(9-18(26-3)20(23)21(19)27-4)5-6-22(16)11-15(13)17(10-14)25-2/h7,9-10,16,23H,5-6,8,11H2,1-4H3/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
52.3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells


Bioorg Med Chem 20: 4862-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387562
PNG
(CHEMBL2057454)
Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(O)c(OC)c34)Cc2c(OC)c1 |r|
Show InChI InChI=1S/C21H25NO5/c1-24-14-7-13-8-16-19-12(9-18(26-3)20(23)21(19)27-4)5-6-22(16)11-15(13)17(10-14)25-2/h7,9-10,16,23H,5-6,8,11H2,1-4H3/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 98.1n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells


Bioorg Med Chem 20: 4862-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9
More data for this
Ligand-Target Pair