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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM50387559'   
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))
BDBM50387559
PNG
(CHEMBL2057453)
Show SMILES COc1ccc2CN3CCc4cc(OC)c(O)cc4[C@@H]3Cc2c1
Show InChI InChI=1S/C19H21NO3/c1-22-15-4-3-13-11-20-6-5-12-9-19(23-2)18(21)10-16(12)17(20)8-14(13)7-15/h3-4,7,9-10,17,21H,5-6,8,11H2,1-2H3/t17-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
35.8n/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))
BDBM50387559
PNG
(CHEMBL2057453)
Show SMILES COc1ccc2CN3CCc4cc(OC)c(O)cc4[C@@H]3Cc2c1
Show InChI InChI=1S/C19H21NO3/c1-22-15-4-3-13-11-20-6-5-12-9-19(23-2)18(21)10-16(12)17(20)8-14(13)7-15/h3-4,7,9-10,17,21H,5-6,8,11H2,1-2H3/t17-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387559
PNG
(CHEMBL2057453)
Show SMILES COc1ccc2CN3CCc4cc(OC)c(O)cc4[C@@H]3Cc2c1
Show InChI InChI=1S/C19H21NO3/c1-22-15-4-3-13-11-20-6-5-12-9-19(23-2)18(21)10-16(12)17(20)8-14(13)7-15/h3-4,7,9-10,17,21H,5-6,8,11H2,1-2H3/t17-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 68.9n/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