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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 = 'BDBM50343319'   
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))
BDBM50343319
PNG
(CHEMBL1774227 | cis-1-methyl-2-(((3R,4R)-3-methyl-...)
Show SMILES C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H23F3N4/c1-14-12-28(13-19-26-20-18(27(19)2)4-3-10-25-20)11-9-17(14)15-5-7-16(8-6-15)21(22,23)24/h3-8,10,14,17H,9,11-13H2,1-2H3/t14-,17+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.80E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343319
PNG
(CHEMBL1774227 | cis-1-methyl-2-(((3R,4R)-3-methyl-...)
Show SMILES C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H23F3N4/c1-14-12-28(13-19-26-20-18(27(19)2)4-3-10-25-20)11-9-17(14)15-5-7-16(8-6-15)21(22,23)24/h3-8,10,14,17H,9,11-13H2,1-2H3/t14-,17+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.80E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair