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BDBM50112185 CHEMBL416117::N-[5-(6-Cyclopentylamino-purin-9-yl)-4-hydroxy-2-methyl-tetrahydro-furan-3-yl]-4-isopropyl-benzamide

SMILES: CC(C)c1ccc(cc1)C(=O)N[C@H]1[C@@H](C)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12

InChI Key: InChIKey=VFWUBMBJELPDPS-QZQLUZMSSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50112185   
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))		BDBM50112185
PNG
(CHEMBL416117 | N-[5-(6-Cyclopentylamino-purin-9-yl...)
Show SMILES CC(C)c1ccc(cc1)C(=O)N[C@H]1[C@@H](C)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C25H32N6O3/c1-14(2)16-8-10-17(11-9-16)24(33)30-19-15(3)34-25(21(19)32)31-13-28-20-22(26-12-27-23(20)31)29-18-6-4-5-7-18/h8-15,18-19,21,25,32H,4-7H2,1-3H3,(H,30,33)(H,26,27,29)/t15-,19+,21-,25-/m1/s1
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PC sid
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Similars
PubMed
 270n/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