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BDBM50013711 9-Cyclohexyl-9H-adenine::9-Cyclohexyl-9H-purin-6-ylamine::9-cyclohexyl-9H-purin-6-amine::CHEMBL63783

SMILES: Nc1ncnc2n(cnc12)C1CCCCC1

InChI Key: InChIKey=FRZBEYVOLNQETR-UHFFFAOYSA-N

Data: 5 KI  1 IC50

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 6 hits for monomerid = 50013711   
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
Phosphatidylinositol 4-kinase type 2-alpha


(Homo sapiens (Human))
BDBM50013711
PNG
(9-Cyclohexyl-9H-adenine | 9-Cyclohexyl-9H-purin-6-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCC1
Show InChI InChI=1S/C11H15N5/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,14)
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Article
PubMed
3.70E+3n/an/an/an/an/an/an/an/a



Smith Kline& French Research Limited

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against human phosphatidylinositol 4-kinase


J Med Chem 33: 2073-80 (1990)


Article DOI: 10.1021/jm00170a005
BindingDB Entry DOI: 10.7270/Q25T3NQV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50013711
PNG
(9-Cyclohexyl-9H-adenine | 9-Cyclohexyl-9H-purin-6-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCC1
Show InChI InChI=1S/C11H15N5/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,14)
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Article
PubMed
>3.00E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity


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
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50013711
PNG
(9-Cyclohexyl-9H-adenine | 9-Cyclohexyl-9H-purin-6-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCC1
Show InChI InChI=1S/C11H15N5/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,14)
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Article
PubMed
>1.00E+5n/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
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50013711
PNG
(9-Cyclohexyl-9H-adenine | 9-Cyclohexyl-9H-purin-6-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCC1
Show InChI InChI=1S/C11H15N5/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,14)
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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 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
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50013711
PNG
(9-Cyclohexyl-9H-adenine | 9-Cyclohexyl-9H-purin-6-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCC1
Show InChI InChI=1S/C11H15N5/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,14)
PDB
MMDB

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PC sid
UniChem

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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A 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
Phosphatidylinositol 4-kinase type 2-alpha


(Homo sapiens (Human))
BDBM50013711
PNG
(9-Cyclohexyl-9H-adenine | 9-Cyclohexyl-9H-purin-6-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCC1
Show InChI InChI=1S/C11H15N5/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,14)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Smith Kline& French Research Limited

Curated by ChEMBL


Assay Description
Inhibitory activity (IC50) against human phosphatidylinositol 4-kinase at the ATP binding site


J Med Chem 33: 2073-80 (1990)


Article DOI: 10.1021/jm00170a005
BindingDB Entry DOI: 10.7270/Q25T3NQV
More data for this
Ligand-Target Pair