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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50196015   
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)
BDBM50196015
PNG
(3-(2-(trifluoromethyl)benzyl)-N-butyl-5-phenyl-3H-...)
Show SMILES CCCCNc1nc(nc2n(Cc3ccccc3C(F)(F)F)nnc12)-c1ccccc1
Show InChI InChI=1S/C22H21F3N6/c1-2-3-13-26-20-18-21(28-19(27-20)15-9-5-4-6-10-15)31(30-29-18)14-16-11-7-8-12-17(16)22(23,24)25/h4-12H,2-3,13-14H2,1H3,(H,26,27,28)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.5n/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)
BDBM50196015
PNG
(3-(2-(trifluoromethyl)benzyl)-N-butyl-5-phenyl-3H-...)
Show SMILES CCCCNc1nc(nc2n(Cc3ccccc3C(F)(F)F)nnc12)-c1ccccc1
Show InChI InChI=1S/C22H21F3N6/c1-2-3-13-26-20-18-21(28-19(27-20)15-9-5-4-6-10-15)31(30-29-18)14-16-11-7-8-12-17(16)22(23,24)25/h4-12H,2-3,13-14H2,1H3,(H,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.50E+6n/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