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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50369997   
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))
BDBM50369997
PNG
(CHEMBL611586)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CNCCc1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H24FN7O4/c1-2-26-21(33)18-16(31)17(32)22(34-18)30-11-27-15-19(24)28-14(29-20(15)30)8-10-25-9-7-12-3-5-13(23)6-4-12/h3-6,11,16-18,22,25,31-32H,2,7,9H2,1H3,(H,26,33)(H2,24,28,29)/t16-,17+,18-,22?/m0/s1
PDB
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
7.70n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A2A receptor in rat brain striatum


J Med Chem 44: 531-9 (2001)


BindingDB Entry DOI: 10.7270/Q20Z740K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369997
PNG
(CHEMBL611586)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CNCCc1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H24FN7O4/c1-2-26-21(33)18-16(31)17(32)22(34-18)30-11-27-15-19(24)28-14(29-20(15)30)8-10-25-9-7-12-3-5-13(23)6-4-12/h3-6,11,16-18,22,25,31-32H,2,7,9H2,1H3,(H,26,33)(H2,24,28,29)/t16-,17+,18-,22?/m0/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.18E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat brain cortex


J Med Chem 44: 531-9 (2001)


BindingDB Entry DOI: 10.7270/Q20Z740K
More data for this
Ligand-Target Pair