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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50047201   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50047201
PNG
(8-[2-(3-Amino-phenyl)-vinyl]-1,3,7-trimethyl-3,7-d...)
Show SMILES Cn1c(\C=C\c2cccc(N)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17N5O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,17H2,1-3H3/b8-7+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
57n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand


J Med Chem 36: 1333-42 (1993)


Article DOI: 10.1021/jm00062a005
BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50047201
PNG
(8-[2-(3-Amino-phenyl)-vinyl]-1,3,7-trimethyl-3,7-d...)
Show SMILES Cn1c(\C=C\c2cccc(N)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17N5O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,17H2,1-3H3/b8-7+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.69E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand


J Med Chem 36: 1333-42 (1993)


Article DOI: 10.1021/jm00062a005
BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair