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BDBM50144950 3'-deoxyadenosine::9-(beta-D-3'-Deoxyribofuranosyl)adenine::9-Cordyceposidoadenine::9H-Purine, 6-amino-9-(3-deoxy-beta-D-ribofuranosyl)-::CHEMBL305686::Cordycepine::cordycepin

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O

InChI Key: InChIKey=OFEZSBMBBKLLBJ-BAJZRUMYSA-N

Data: 4 KI  1 IC50

PDB links: 4 PDB IDs match this monomer.

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 5 hits for monomerid = 50144950   
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))
BDBM50144950
PNG
(3'-deoxyadenosine | 9-(beta-D-3'-Deoxyribofuranosy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
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KEGG
MMDB
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PubMed
7.12E+3n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity for the Adenosine A1 receptor in the absence of GTP (A1-GTP) by using [3H]DPCPX as radioligand


J Med Chem 38: 4000-6 (1995)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50144950
PNG
(3'-deoxyadenosine | 9-(beta-D-3'-Deoxyribofuranosy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
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Article
PubMed
7.12E+3n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.


J Med Chem 40: 3765-72 (1997)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50144950
PNG
(3'-deoxyadenosine | 9-(beta-D-3'-Deoxyribofuranosy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
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PubMed
7.12E+3n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.


J Med Chem 40: 3765-72 (1997)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50144950
PNG
(3'-deoxyadenosine | 9-(beta-D-3'-Deoxyribofuranosy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
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1.52E+4n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity for the Adenosine A1 receptor in the presence of GTP (A1+GTP) by using [3H]-DPCPX as radioligand


J Med Chem 38: 4000-6 (1995)

More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144950
PNG
(3'-deoxyadenosine | 9-(beta-D-3'-Deoxyribofuranosy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
UniProtKB/TrEMBL

B.MOAD
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KEGG
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Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)

More data for this
Ligand-Target Pair