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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 = 'BDBM50347560'   
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))
BDBM50347560
PNG
(CHEMBL1802235)
Show SMILES COC(=O)[C@@H](N)CSc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(O)c4-c(c1)c23 |r|
Show InChI InChI=1S/C21H24N2O4S/c1-23-6-5-12-7-13(28-10-15(22)21(26)27-2)9-14-18(12)16(23)8-11-3-4-17(24)20(25)19(11)14/h3-4,7,9,15-16,24-25H,5-6,8,10,22H2,1-2H3/t15-,16+/m0/s1
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KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat D2 dopamine receptor expressed in CHOK1 cells after 90 mins by liquid scintillation counter scintillation cou...


Eur J Med Chem 46: 2992-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.028
BindingDB Entry DOI: 10.7270/Q2X34XTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50347560
PNG
(CHEMBL1802235)
Show SMILES COC(=O)[C@@H](N)CSc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(O)c4-c(c1)c23 |r|
Show InChI InChI=1S/C21H24N2O4S/c1-23-6-5-12-7-13(28-10-15(22)21(26)27-2)9-14-18(12)16(23)8-11-3-4-17(24)20(25)19(11)14/h3-4,7,9,15-16,24-25H,5-6,8,10,22H2,1-2H3/t15-,16+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 24n/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Agonist activity at rat D2 dopamine receptor expressed in CHOK1 cells assessed as [35S]GTPgammaS binding after 90 mins by liquid scintillation counte...


Eur J Med Chem 46: 2992-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.028
BindingDB Entry DOI: 10.7270/Q2X34XTG
More data for this
Ligand-Target Pair