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BDBM50384264 CHEMBL316966

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@](O)(=O)O[C@H]2[C@H]1O

InChI Key: InChIKey=IVOMOUWHDPKRLL-KQYNXXCUSA-N

Data: 3 IC50

PDB links: 92 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 3 hits for monomerid = 50384264   
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
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384264
PNG
(CHEMBL316966)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@](O)(=O)O[C@H]2[C@H]1O
Show InChI InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of EPAC2 (unknown origin)


J Med Chem 57: 3651-65 (2014)


Article DOI: 10.1021/jm401425e
BindingDB Entry DOI: 10.7270/Q2WH2RJW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384264
PNG
(CHEMBL316966)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@](O)(=O)O[C@H]2[C@H]1O
Show InChI InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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Article
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384264
PNG
(CHEMBL316966)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@](O)(=O)O[C@H]2[C@H]1O
Show InChI InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
PDB
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KEGG

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CHEBI
CHEMBL
KEGG
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PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)