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BDBM50275693 CHEMBL486338::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidin-4-yl)acetamide

SMILES: COc1ccc(cc1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C

InChI Key: InChIKey=LKMYUFHSXMTCQP-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50275693   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50275693
PNG
(CHEMBL486338 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES COc1ccc(cc1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C18H19N5O2/c1-11-9-12(2)23(22-11)18-20-16(10-17(21-18)19-13(3)24)14-5-7-15(25-4)8-6-14/h5-10H,1-4H3,(H,19,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 5402-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.048
BindingDB Entry DOI: 10.7270/Q28K78ZG
More data for this
Ligand-Target Pair