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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 = 'BDBM50465943'   
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))
BDBM50465943
PNG
(CHEMBL4286110)
Show SMILES COc1ccc2cnccc2c1-c1ccc(Oc2nccc3occc23)cc1
Show InChI InChI=1S/C23H16N2O3/c1-26-21-7-4-16-14-24-11-8-18(16)22(21)15-2-5-17(6-3-15)28-23-19-10-13-27-20(19)9-12-25-23/h2-14H,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
56n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting


J Med Chem 61: 11384-11397 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01622
BindingDB Entry DOI: 10.7270/Q20G3NT6
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50465943
PNG
(CHEMBL4286110)
Show SMILES COc1ccc2cnccc2c1-c1ccc(Oc2nccc3occc23)cc1
Show InChI InChI=1S/C23H16N2O3/c1-26-21-7-4-16-14-24-11-8-18(16)22(21)15-2-5-17(6-3-15)28-23-19-10-13-27-20(19)9-12-25-23/h2-14H,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.33E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D1 receptor expressed in HEK293T cells assessed as induction of cAMP levels after 30 mins by HTRF assay


J Med Chem 61: 11384-11397 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01622
BindingDB Entry DOI: 10.7270/Q20G3NT6
More data for this
Ligand-Target Pair