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BDBM50013702 9-Cycloheptyl-9H-adenine::9-Cycloheptyl-9H-purin-6-ylamine::CHEMBL62835

SMILES: Nc1ncnc2n(cnc12)C1CCCCCC1

InChI Key: InChIKey=FHZRSYFMJLJWBS-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 = 50013702   
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))
BDBM50013702
PNG
(9-Cycloheptyl-9H-adenine | 9-Cycloheptyl-9H-purin-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCCC1
Show InChI InChI=1S/C12H17N5/c13-11-10-12(15-7-14-11)17(8-16-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14,15)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+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 A2a


(Homo sapiens (Human))
BDBM50013702
PNG
(9-Cycloheptyl-9H-adenine | 9-Cycloheptyl-9H-purin-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCCC1
Show InChI InChI=1S/C12H17N5/c13-11-10-12(15-7-14-11)17(8-16-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10E+4n/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
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50013702
PNG
(9-Cycloheptyl-9H-adenine | 9-Cycloheptyl-9H-purin-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCCC1
Show InChI InChI=1S/C12H17N5/c13-11-10-12(15-7-14-11)17(8-16-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14,15)
NCI pathway
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CHEMBL
PC cid
PC sid
UniChem

Similars

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 A3


(Homo sapiens (Human))
BDBM50013702
PNG
(9-Cycloheptyl-9H-adenine | 9-Cycloheptyl-9H-purin-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCCC1
Show InChI InChI=1S/C12H17N5/c13-11-10-12(15-7-14-11)17(8-16-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14,15)
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PC cid
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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 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 A1


(Homo sapiens (Human))
BDBM50013702
PNG
(9-Cycloheptyl-9H-adenine | 9-Cycloheptyl-9H-purin-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCCC1
Show InChI InChI=1S/C12H17N5/c13-11-10-12(15-7-14-11)17(8-16-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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
Phosphatidylinositol 4-kinase type 2-alpha


(Homo sapiens (Human))
BDBM50013702
PNG
(9-Cycloheptyl-9H-adenine | 9-Cycloheptyl-9H-purin-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCCC1
Show InChI InChI=1S/C12H17N5/c13-11-10-12(15-7-14-11)17(8-16-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14,15)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.20E+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