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BDBM50324968 CHEMBL1222241::Furan-2-carboxylic acid(5-butyryl-4-phenyl-thiazol-2-yl)-amide

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

InChI Key: InChIKey=FHLNGEZXUGAKSM-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50324968   
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))
BDBM50324968
PNG
(CHEMBL1222241 | Furan-2-carboxylic acid(5-butyryl-...)
Show SMILES CCCC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Show InChI InChI=1S/C18H16N2O3S/c1-2-7-13(21)16-15(12-8-4-3-5-9-12)19-18(24-16)20-17(22)14-10-6-11-23-14/h3-6,8-11H,2,7H2,1H3,(H,19,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
62n/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))
BDBM50324968
PNG
(CHEMBL1222241 | Furan-2-carboxylic acid(5-butyryl-...)
Show SMILES CCCC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Show InChI InChI=1S/C18H16N2O3S/c1-2-7-13(21)16-15(12-8-4-3-5-9-12)19-18(24-16)20-17(22)14-10-6-11-23-14/h3-6,8-11H,2,7H2,1H3,(H,19,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
90n/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