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BDBM140063 US8901315, 106::US8901315, 107

SMILES: CN1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1

InChI Key: InChIKey=ISQKDGBSKUJRSX-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 = 140063   
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 7


(Homo sapiens (Human))
BDBM140063
PNG
(US8901315, 106 | US8901315, 107)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1
Show InChI InChI=1S/C24H31N5OS/c1-17-21-16-22(31-24(21)29(26-17)20-6-4-3-5-7-20)23(30)25-18-8-10-19(11-9-18)28-14-12-27(2)13-15-28/h8-11,16,20H,3-7,12-15H2,1-2H3,(H,25,30)
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PC sid
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US Patent
n/an/a 9n/an/an/an/a7.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 7 (phosphodiesterase VII) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifi...


US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140063
PNG
(US8901315, 106 | US8901315, 107)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1
Show InChI InChI=1S/C24H31N5OS/c1-17-21-16-22(31-24(21)29(26-17)20-6-4-3-5-7-20)23(30)25-18-8-10-19(11-9-18)28-14-12-27(2)13-15-28/h8-11,16,20H,3-7,12-15H2,1-2H3,(H,25,30)
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US Patent
n/an/a 2.00E+3n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140063
PNG
(US8901315, 106 | US8901315, 107)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1
Show InChI InChI=1S/C24H31N5OS/c1-17-21-16-22(31-24(21)29(26-17)20-6-4-3-5-7-20)23(30)25-18-8-10-19(11-9-18)28-14-12-27(2)13-15-28/h8-11,16,20H,3-7,12-15H2,1-2H3,(H,25,30)
PDB

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UniProtKB/TrEMBL

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GoogleScholar
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PC sid
UniChem

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US Patent
n/an/a 1.20E+3n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM140063
PNG
(US8901315, 106 | US8901315, 107)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1
Show InChI InChI=1S/C24H31N5OS/c1-17-21-16-22(31-24(21)29(26-17)20-6-4-3-5-7-20)23(30)25-18-8-10-19(11-9-18)28-14-12-27(2)13-15-28/h8-11,16,20H,3-7,12-15H2,1-2H3,(H,25,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 17n/an/an/an/a7.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 7 (phosphodiesterase VII) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifi...


US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair