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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50369113   
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 receptor A2a


(Rattus norvegicus (rat))
BDBM50369113
PNG
(CHEMBL606318)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccn1 |r|
Show InChI InChI=1S/C19H19N7O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-23-12-16(20)24-11(25-17(12)26)7-6-10-5-3-4-8-22-10/h3-5,8-9,13-15,19,27-28H,2H2,1H3,(H,21,29)(H2,20,24,25)/t13-,14+,15-,19?/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 243n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Functional activity against adenosine A2a receptor from rat aorta.


J Med Chem 38: 1462-72 (1995)


BindingDB Entry DOI: 10.7270/Q2R78FWX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369113
PNG
(CHEMBL606318)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccn1 |r|
Show InChI InChI=1S/C19H19N7O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-23-12-16(20)24-11(25-17(12)26)7-6-10-5-3-4-8-22-10/h3-5,8-9,13-15,19,27-28H,2H2,1H3,(H,21,29)(H2,20,24,25)/t13-,14+,15-,19?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 840n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Functional activity against adenosine A1 receptor from rat atria.


J Med Chem 38: 1462-72 (1995)


BindingDB Entry DOI: 10.7270/Q2R78FWX
More data for this
Ligand-Target Pair