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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 = 'BDBM50354091'   
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))
BDBM50354091
PNG
(CHEMBL1836044)
Show SMILES COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c1OC |r,TLB:9:10:17:13.14|
Show InChI InChI=1S/C21H26N2O4/c1-25-19-7-3-6-18(20(19)26-2)21(24)22-14-11-15-8-9-16(12-14)23(15)13-17-5-4-10-27-17/h3-7,10,14-16H,8-9,11-13H2,1-2H3,(H,22,24)/t15-,16-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
26.3n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat straitum tissue after 20 mins by scintillation counting


Eur J Med Chem 46: 4474-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.022
BindingDB Entry DOI: 10.7270/Q2Z0395D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50354091
PNG
(CHEMBL1836044)
Show SMILES COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c1OC |r,TLB:9:10:17:13.14|
Show InChI InChI=1S/C21H26N2O4/c1-25-19-7-3-6-18(20(19)26-2)21(24)22-14-11-15-8-9-16(12-14)23(15)13-17-5-4-10-27-17/h3-7,10,14-16H,8-9,11-13H2,1-2H3,(H,22,24)/t15-,16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat straitum tissue after 20 mins by scintillation counting


Eur J Med Chem 46: 4474-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.022
BindingDB Entry DOI: 10.7270/Q2Z0395D
More data for this
Ligand-Target Pair