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BDBM50112197 CHEMBL53387::N-[5-(6-Cyclopentylamino-purin-9-yl)-4-hydroxy-2-methyl-tetrahydro-furan-3-yl]-4-ethyl-benzamide

SMILES: CCc1ccc(cc1)C(=O)N[C@H]1[C@@H](C)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12

InChI Key: InChIKey=DQWUELZGZCVPDJ-SYEFWCOISA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50112197   
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))		BDBM50112197
PNG
(CHEMBL53387 | N-[5-(6-Cyclopentylamino-purin-9-yl)...)
Show SMILES CCc1ccc(cc1)C(=O)N[C@H]1[C@@H](C)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C24H30N6O3/c1-3-15-8-10-16(11-9-15)23(32)29-18-14(2)33-24(20(18)31)30-13-27-19-21(25-12-26-22(19)30)28-17-6-4-5-7-17/h8-14,17-18,20,24,31H,3-7H2,1-2H3,(H,29,32)(H,25,26,28)/t14-,18+,20-,24-/m1/s1
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Similars
PubMed
 240n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Binding affinity at rat Adenosine A1 receptor in the absence of GTP

J Med Chem 45: 1845-52 (2002)


BindingDB Entry DOI: 10.7270/Q20001DD
More data for this
Ligand-Target Pair