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BDBM50294519 2-amino-N-(4-fluorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide::CHEMBL561244

SMILES: Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccc(F)cc1

InChI Key: InChIKey=DHGGCNFXSNHTEV-UHFFFAOYSA-N

Data: 2 KI

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

Found 2 hits for monomerid = 50294519   
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))
BDBM50294519
PNG
(2-amino-N-(4-fluorobenzyl)-6-(furan-2-yl)pyrimidin...)
Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C16H13FN4O2/c17-11-5-3-10(4-6-11)9-19-15(22)13-8-12(20-16(18)21-13)14-2-1-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Vernalis (R+D) Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human adenosine A2A receptor


Bioorg Med Chem Lett 19: 2664-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.142
BindingDB Entry DOI: 10.7270/Q2RF5V1M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50294519
PNG
(2-amino-N-(4-fluorobenzyl)-6-(furan-2-yl)pyrimidin...)
Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C16H13FN4O2/c17-11-5-3-10(4-6-11)9-19-15(22)13-8-12(20-16(18)21-13)14-2-1-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
140n/an/an/an/an/an/an/an/a



Vernalis (R+D) Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human adenosine A1 receptor


Bioorg Med Chem Lett 19: 2664-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.142
BindingDB Entry DOI: 10.7270/Q2RF5V1M
More data for this
Ligand-Target Pair