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BDBM50170839 CHEMBL187794::N*2*-Biphenyl-4-yl-N*6*-cyclohexyl-9H-purine-2,6-diamine

SMILES: C1CCC(CC1)Nc1nc(Nc2ccc(cc2)-c2ccccc2)nc2nc[nH]c12

InChI Key: InChIKey=AKQSZLAMCSNYLR-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50170839   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50170839
PNG
(CHEMBL187794 | N*2*-Biphenyl-4-yl-N*6*-cyclohexyl-...)
Show SMILES C1CCC(CC1)Nc1nc(Nc2ccc(cc2)-c2ccccc2)nc2nc[nH]c12
Show InChI InChI=1S/C23H24N6/c1-3-7-16(8-4-1)17-11-13-19(14-12-17)27-23-28-21-20(24-15-25-21)22(29-23)26-18-9-5-2-6-10-18/h1,3-4,7-8,11-15,18H,2,5-6,9-10H2,(H3,24,25,26,27,28,29)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
5.40E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 4910-8 (2005)


Article DOI: 10.1021/jm050221l
BindingDB Entry DOI: 10.7270/Q2N58KWZ
More data for this
Ligand-Target Pair