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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50500484   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500484
PNG
(CHEMBL3745868)
Show SMILES O=C(Nc1nc(cs1)C1CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C15H12N2OS2/c18-14(13-7-10-3-1-2-4-12(10)20-13)17-15-16-11(8-19-15)9-5-6-9/h1-4,7-9H,5-6H2,(H,16,17,18)
UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
34n/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
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500484
PNG
(CHEMBL3745868)
Show SMILES O=C(Nc1nc(cs1)C1CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C15H12N2OS2/c18-14(13-7-10-3-1-2-4-12(10)20-13)17-15-16-11(8-19-15)9-5-6-9/h1-4,7-9H,5-6H2,(H,16,17,18)
UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
40n/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 A2a


(Homo sapiens (Human))
BDBM50500484
PNG
(CHEMBL3745868)
Show SMILES O=C(Nc1nc(cs1)C1CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C15H12N2OS2/c18-14(13-7-10-3-1-2-4-12(10)20-13)17-15-16-11(8-19-15)9-5-6-9/h1-4,7-9H,5-6H2,(H,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HeLa cells


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))
BDBM50500484
PNG
(CHEMBL3745868)
Show SMILES O=C(Nc1nc(cs1)C1CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C15H12N2OS2/c18-14(13-7-10-3-1-2-4-12(10)20-13)17-15-16-11(8-19-15)9-5-6-9/h1-4,7-9H,5-6H2,(H,16,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
3.72E+3n/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