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BDBM50170838 CHEMBL188345::N*6*-Cycloheptyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-purine-2,6-diamine

SMILES: C1CN(CCO1)c1ccc(Nc2nc(NC3CCCCCC3)c3[nH]cnc3n2)cc1

InChI Key: InChIKey=IWDCLHPAOHUVIN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50170838   
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))		BDBM50170838
PNG
(CHEMBL188345 | N*6*-Cycloheptyl-N*2*-(4-morpholin-...)
Show SMILES C1CN(CCO1)c1ccc(Nc2nc(NC3CCCCCC3)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C22H29N7O/c1-2-4-6-16(5-3-1)25-21-19-20(24-15-23-19)27-22(28-21)26-17-7-9-18(10-8-17)29-11-13-30-14-12-29/h7-10,15-16H,1-6,11-14H2,(H3,23,24,25,26,27,28)
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Similars
Article
PubMed
 420n/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