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SMILES: C1CCC(CC1)Nc1nc(NN2CCC(CC2)c2ccccc2)nc2nc[nH]c12

InChI Key: InChIKey=OMGRYJUMIOVZQQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50170832   
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))		BDBM50170832
PNG
(CHEMBL362740 | N*6*-Cyclohexyl-N*2*-(4-phenyl-pipe...)
Show SMILES C1CCC(CC1)Nc1nc(NN2CCC(CC2)c2ccccc2)nc2nc[nH]c12
Show InChI InChI=1S/C22H29N7/c1-3-7-16(8-4-1)17-11-13-29(14-12-17)28-22-26-20-19(23-15-24-20)21(27-22)25-18-9-5-2-6-10-18/h1,3-4,7-8,15,17-18H,2,5-6,9-14H2,(H3,23,24,25,26,27,28)
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PC cid
PC sid
UniChem
Article
PubMed
 1.57E+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