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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50009680'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009680
PNG
(6-Amino-9-cyclopentyl-9H-purine | 9-Cyclopentyl-9H...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCC1
Show InChI InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50009680
PNG
(6-Amino-9-cyclopentyl-9H-purine | 9-Cyclopentyl-9H...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCC1
Show InChI InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
PDB

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UniProtKB/SwissProt

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GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 17: 2812-22 (2009)


Article DOI: 10.1016/j.bmc.2009.02.030
BindingDB Entry DOI: 10.7270/Q25Q4X1J
More data for this
Ligand-Target Pair