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BDBM50112189 2-(6-Cyclopentylamino-purin-9-yl)-5-methyl-tetrahydro-furan-3,4-diol::CHEMBL54468

SMILES: C[C@H]1O[C@H]([C@H](O)[C@H]1O)n1cnc2c(NC3CCCC3)ncnc12

InChI Key: InChIKey=RGIGEXFJZVCYJT-ZBTLEPIDSA-N

Data: 3 KI

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 3 hits for monomerid = 50112189   
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))
BDBM50112189
PNG
(2-(6-Cyclopentylamino-purin-9-yl)-5-methyl-tetrahy...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O3/c1-8-11(21)12(22)15(23-8)20-7-18-10-13(16-6-17-14(10)20)19-9-4-2-3-5-9/h6-9,11-12,15,21-22H,2-5H2,1H3,(H,16,17,19)/t8-,11+,12-,15-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
6.40n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
GTP-induced shift at rat Adenosine A1 receptor (A1AR)


J Med Chem 45: 1845-52 (2002)


Article DOI: 10.1021/jm0110439
BindingDB Entry DOI: 10.7270/Q20001DD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50112189
PNG
(2-(6-Cyclopentylamino-purin-9-yl)-5-methyl-tetrahy...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O3/c1-8-11(21)12(22)15(23-8)20-7-18-10-13(16-6-17-14(10)20)19-9-4-2-3-5-9/h6-9,11-12,15,21-22H,2-5H2,1H3,(H,16,17,19)/t8-,11+,12-,15-/m1/s1
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Article
PubMed
70n/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)


Article DOI: 10.1021/jm0110439
BindingDB Entry DOI: 10.7270/Q20001DD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50112189
PNG
(2-(6-Cyclopentylamino-purin-9-yl)-5-methyl-tetrahy...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O3/c1-8-11(21)12(22)15(23-8)20-7-18-10-13(16-6-17-14(10)20)19-9-4-2-3-5-9/h6-9,11-12,15,21-22H,2-5H2,1H3,(H,16,17,19)/t8-,11+,12-,15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
450n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 45: 1845-52 (2002)


Article DOI: 10.1021/jm0110439
BindingDB Entry DOI: 10.7270/Q20001DD
More data for this
Ligand-Target Pair