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BDBM50402935 CHEMBL2206223

SMILES: CC(O)C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1

InChI Key: InChIKey=GNWKATFENPQMIQ-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches 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 4 hits for monomerid = 50402935   
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))
BDBM50402935
PNG
(CHEMBL2206223)
Show SMILES CC(O)C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C24H25N5O2S/c1-16(30)17-10-14-29(15-11-17)22-23(26-13-12-25-22)31-19-8-6-18(7-9-19)27-24-28-20-4-2-3-5-21(20)32-24/h2-9,12-13,16-17,30H,10-11,14-15H2,1H3,(H,27,28)
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PC sid
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Article
PubMed
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)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50402935
PNG
(CHEMBL2206223)
Show SMILES CC(O)C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C24H25N5O2S/c1-16(30)17-10-14-29(15-11-17)22-23(26-13-12-25-22)31-19-8-6-18(7-9-19)27-24-28-20-4-2-3-5-21(20)32-24/h2-9,12-13,16-17,30H,10-11,14-15H2,1H3,(H,27,28)
PDB
MMDB

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PubMed
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)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50402935
PNG
(CHEMBL2206223)
Show SMILES CC(O)C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C24H25N5O2S/c1-16(30)17-10-14-29(15-11-17)22-23(26-13-12-25-22)31-19-8-6-18(7-9-19)27-24-28-20-4-2-3-5-21(20)32-24/h2-9,12-13,16-17,30H,10-11,14-15H2,1H3,(H,27,28)
PDB

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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 PDE4D


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

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50402935
PNG
(CHEMBL2206223)
Show SMILES CC(O)C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C24H25N5O2S/c1-16(30)17-10-14-29(15-11-17)22-23(26-13-12-25-22)31-19-8-6-18(7-9-19)27-24-28-20-4-2-3-5-21(20)32-24/h2-9,12-13,16-17,30H,10-11,14-15H2,1H3,(H,27,28)
PDB
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n/an/a 2.40n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)