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BDBM50500485 CHEMBL3745803

SMILES: CCc1cc2c(nc([nH]c2=O)-c2ccoc2)s1

InChI Key: InChIKey=WESMFTUKYUALDR-UHFFFAOYSA-N

Data: 2 KI  1 Kd

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50500485   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500485
PNG
(CHEMBL3745803)
Show SMILES CCc1cc2c(nc([nH]c2=O)-c2ccoc2)s1
Show InChI InChI=1S/C12H10N2O2S/c1-2-8-5-9-11(15)13-10(14-12(9)17-8)7-3-4-16-6-7/h3-6H,2H2,1H3,(H,13,14,15)
UniProtKB/SwissProt

antibodypedia
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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
550n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50500485
PNG
(CHEMBL3745803)
Show SMILES CCc1cc2c(nc([nH]c2=O)-c2ccoc2)s1
Show InChI InChI=1S/C12H10N2O2S/c1-2-8-5-9-11(15)13-10(14-12(9)17-8)7-3-4-16-6-7/h3-6H,2H2,1H3,(H,13,14,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
5.62E+4n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500485
PNG
(CHEMBL3745803)
Show SMILES CCc1cc2c(nc([nH]c2=O)-c2ccoc2)s1
Show InChI InChI=1S/C12H10N2O2S/c1-2-8-5-9-11(15)13-10(14-12(9)17-8)7-3-4-16-6-7/h3-6H,2H2,1H3,(H,13,14,15)
UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 741n/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Competitive antagonist activity at YFP linked human adenosine A3 receptor expressed in CHO CRE-SPAP cells assessed as inhibition of NECA-induced rece...


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair