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BDBM50170834 CHEMBL364948::N*6*-Cyclopropyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-purine-2,6-diamine

SMILES: C1CC1Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12

InChI Key: InChIKey=YIHIFTKWCROQBT-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50170834   
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))
BDBM50170834
PNG
(CHEMBL364948 | N*6*-Cyclopropyl-N*2*-(4-morpholin-...)
Show SMILES C1CC1Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
Show InChI InChI=1S/C18H21N7O/c1-2-12(1)21-17-15-16(20-11-19-15)23-18(24-17)22-13-3-5-14(6-4-13)25-7-9-26-10-8-25/h3-6,11-12H,1-2,7-10H2,(H3,19,20,21,22,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.87E+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