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BDBM50306778 (3-amino-6-propylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone::CHEMBL601414

SMILES: CCCc1ccc2c(N)c(sc2n1)C(=O)c1ccccc1

InChI Key: InChIKey=XDTQZQJBOIBLNS-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50306778   
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))
BDBM50306778
PNG
((3-amino-6-propylthieno[2,3-b]pyridin-2-yl)(phenyl...)
Show SMILES CCCc1ccc2c(N)c(sc2n1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H16N2OS/c1-2-6-12-9-10-13-14(18)16(21-17(13)19-12)15(20)11-7-4-3-5-8-11/h3-5,7-10H,2,6,18H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair