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BDBM50315546 8-(2-Thioxo-7(3-o-iodophenyl)-2-(2-furyl)thiazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL1093018

SMILES: Ic1ccccc1-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1

InChI Key: InChIKey=AQCYYAZSOFCFLZ-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 = 50315546   
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 A1


(Homo sapiens (human))
BDBM50315546
PNG
(8-(2-Thioxo-7(3-o-iodophenyl)-2-(2-furyl)thiazolo[...)
Show SMILES Ic1ccccc1-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1
Show InChI InChI=1S/C16H8IN5OS2/c17-9-4-1-2-5-10(9)22-14-12(25-16(22)24)15-19-13(11-6-3-7-23-11)20-21(15)8-18-14/h1-8H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay


Bioorg Med Chem 18: 2491-500 (2010)


Article DOI: 10.1016/j.bmc.2010.02.048
BindingDB Entry DOI: 10.7270/Q27W6D57
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50315546
PNG
(8-(2-Thioxo-7(3-o-iodophenyl)-2-(2-furyl)thiazolo[...)
Show SMILES Ic1ccccc1-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1
Show InChI InChI=1S/C16H8IN5OS2/c17-9-4-1-2-5-10(9)22-14-12(25-16(22)24)15-19-13(11-6-3-7-23-11)20-21(15)8-18-14/h1-8H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay


Bioorg Med Chem 18: 2491-500 (2010)


Article DOI: 10.1016/j.bmc.2010.02.048
BindingDB Entry DOI: 10.7270/Q27W6D57
More data for this
Ligand-Target Pair