BindingDB logo
myBDB logout

null

SMILES: Nc1nc(NCCC2CCCC=C2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=UECDEODSHCIWLV-MQWPZHSDSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50368544   
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 A1


(Rattus norvegicus (rat))		BDBM50368544
PNG
(CHEMBL607498)
Show SMILES Nc1nc(NCCC2CCCC=C2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,c:11|
Show InChI InChI=1S/C18H26N6O4/c19-15-12-16(23-18(22-15)20-7-6-10-4-2-1-3-5-10)24(9-21-12)17-14(27)13(26)11(8-25)28-17/h2,4,9-11,13-14,17,25-27H,1,3,5-8H2,(H3,19,20,22,23)/t10?,11-,13-,14-,17?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.70E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand

J Med Chem 35: 407-22 (1992)


BindingDB Entry DOI: 10.7270/Q2Z89D1W
More data for this
Ligand-Target Pair