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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50369100   
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))
BDBM50369100
PNG
(CHEMBL606319)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCn1ccnc1 |r|
Show InChI InChI=1S/C18H20N8O4/c1-2-21-17(29)14-12(27)13(28)18(30-14)26-9-22-11-15(19)23-10(24-16(11)26)4-3-6-25-7-5-20-8-25/h5,7-9,12-14,18,27-28H,2,6H2,1H3,(H,21,29)(H2,19,23,24)/t12-,13+,14-,18?/m0/s1
PDB
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 753n/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))
BDBM50369100
PNG
(CHEMBL606319)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCn1ccnc1 |r|
Show InChI InChI=1S/C18H20N8O4/c1-2-21-17(29)14-12(27)13(28)18(30-14)26-9-22-11-15(19)23-10(24-16(11)26)4-3-6-25-7-5-20-8-25/h5,7-9,12-14,18,27-28H,2,6H2,1H3,(H,21,29)(H2,19,23,24)/t12-,13+,14-,18?/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 3.14E+3n/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