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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50195991   
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 A1


(BOVINE)
BDBM50195991
PNG
(3-(3-(2-(trifluoromethyl)benzyl)-5-phenyl-3H-[1,2,...)
Show SMILES OCCCNc1nc(nc2n(Cc3ccccc3C(F)(F)F)nnc12)-c1ccccc1
Show InChI InChI=1S/C21H19F3N6O/c22-21(23,24)16-10-5-4-9-15(16)13-30-20-17(28-29-30)19(25-11-6-12-31)26-18(27-20)14-7-2-1-3-8-14/h1-5,7-10,31H,6,11-13H2,(H,25,26,27)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
147n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor


Eur J Med Chem 42: 1-9 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.014
BindingDB Entry DOI: 10.7270/Q28C9VW9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50195991
PNG
(3-(3-(2-(trifluoromethyl)benzyl)-5-phenyl-3H-[1,2,...)
Show SMILES OCCCNc1nc(nc2n(Cc3ccccc3C(F)(F)F)nnc12)-c1ccccc1
Show InChI InChI=1S/C21H19F3N6O/c22-21(23,24)16-10-5-4-9-15(16)13-30-20-17(28-29-30)19(25-11-6-12-31)26-18(27-20)14-7-2-1-3-8-14/h1-5,7-10,31H,6,11-13H2,(H,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.47E+8n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Binding affinity to bovine adenosine A1 receptor


Eur J Med Chem 43: 114-21 (2008)


Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK
More data for this
Ligand-Target Pair