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SMILES: Cc1nc(no1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1

InChI Key: InChIKey=WVBMLCFPIVQVSC-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50324970   
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))
BDBM50324970
PNG
(CHEMBL1222246 | Furan-2-carboxylic acid[5-(5-methy...)
Show SMILES Cc1nc(no1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Show InChI InChI=1S/C17H12N4O3S/c1-10-18-15(21-24-10)14-13(11-6-3-2-4-7-11)19-17(25-14)20-16(22)12-8-5-9-23-12/h2-9H,1H3,(H,19,20,22)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
700n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50324970
PNG
(CHEMBL1222246 | Furan-2-carboxylic acid[5-(5-methy...)
Show SMILES Cc1nc(no1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Show InChI InChI=1S/C17H12N4O3S/c1-10-18-15(21-24-10)14-13(11-6-3-2-4-7-11)19-17(25-14)20-16(22)12-8-5-9-23-12/h2-9H,1H3,(H,19,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
780n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair