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BDBM50402938 CHEMBL2206220

SMILES: OCC1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3o2)cc1

InChI Key: InChIKey=GSPPBEDIAJRJPI-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50402938   
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
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM50402938
PNG
(CHEMBL2206220)
Show SMILES OCC1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3o2)cc1
Show InChI InChI=1S/C23H23N5O3/c29-15-16-9-13-28(14-10-16)21-22(25-12-11-24-21)30-18-7-5-17(6-8-18)26-23-27-19-3-1-2-4-20(19)31-23/h1-8,11-12,16,29H,9-10,13-15H2,(H,26,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A using FAM-cAMP as substrate incubated for 60 mins prior to substrate addition measured after 90 mins by IMAP-FRET assay


Bioorg Med Chem Lett 22: 7371-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.078
BindingDB Entry DOI: 10.7270/Q2GB257C
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50402938
PNG
(CHEMBL2206220)
Show SMILES OCC1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3o2)cc1
Show InChI InChI=1S/C23H23N5O3/c29-15-16-9-13-28(14-10-16)21-22(25-12-11-24-21)30-18-7-5-17(6-8-18)26-23-27-19-3-1-2-4-20(19)31-23/h1-8,11-12,16,29H,9-10,13-15H2,(H,26,27)
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PC sid
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2A


Bioorg Med Chem Lett 22: 7371-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.078
BindingDB Entry DOI: 10.7270/Q2GB257C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50402938
PNG
(CHEMBL2206220)
Show SMILES OCC1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3o2)cc1
Show InChI InChI=1S/C23H23N5O3/c29-15-16-9-13-28(14-10-16)21-22(25-12-11-24-21)30-18-7-5-17(6-8-18)26-23-27-19-3-1-2-4-20(19)31-23/h1-8,11-12,16,29H,9-10,13-15H2,(H,26,27)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


Bioorg Med Chem Lett 22: 7371-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.078
BindingDB Entry DOI: 10.7270/Q2GB257C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50402938
PNG
(CHEMBL2206220)
Show SMILES OCC1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3o2)cc1
Show InChI InChI=1S/C23H23N5O3/c29-15-16-9-13-28(14-10-16)21-22(25-12-11-24-21)30-18-7-5-17(6-8-18)26-23-27-19-3-1-2-4-20(19)31-23/h1-8,11-12,16,29H,9-10,13-15H2,(H,26,27)
PDB
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n/an/a 0.513n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 using FAM-cAMP as substrate incubated for 60 mins prior to substrate addition measured after 90 mins by IMAP-FRET assay


Bioorg Med Chem Lett 22: 7371-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.078
BindingDB Entry DOI: 10.7270/Q2GB257C
More data for this
Ligand-Target Pair