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BDBM135577 US8846654, 11

SMILES: COc1ccc(Cn2c(=O)n(C3CCN(CC3)C=O)c3ccc(OC(CF)CF)cc3c2=O)cc1OC

InChI Key: InChIKey=JYHQBYXSPOBQMT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 135577   
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
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A


(Homo sapiens (Human))
BDBM135577
PNG
(US8846654, 11)
Show SMILES COc1ccc(Cn2c(=O)n(C3CCN(CC3)C=O)c3ccc(OC(CF)CF)cc3c2=O)cc1OC
Show InChI InChI=1S/C26H29F2N3O6/c1-35-23-6-3-17(11-24(23)36-2)15-30-25(33)21-12-19(37-20(13-27)14-28)4-5-22(21)31(26(30)34)18-7-9-29(16-32)10-8-18/h3-6,11-12,16,18,20H,7-10,13-15H2,1-2H3
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 140n/an/an/an/a7.5n/a



Sanofi

US Patent


Assay Description
By using for PDE8 an enzymatic assay equivalent to that described for PDE7. PDE7 Enzymatic Assay: The assay is carried out in 1.5 ml Eppendorf tube...


US Patent US8846654 (2014)


BindingDB Entry DOI: 10.7270/Q21V5CPZ
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM135577
PNG
(US8846654, 11)
Show SMILES COc1ccc(Cn2c(=O)n(C3CCN(CC3)C=O)c3ccc(OC(CF)CF)cc3c2=O)cc1OC
Show InChI InChI=1S/C26H29F2N3O6/c1-35-23-6-3-17(11-24(23)36-2)15-30-25(33)21-12-19(37-20(13-27)14-28)4-5-22(21)31(26(30)34)18-7-9-29(16-32)10-8-18/h3-6,11-12,16,18,20H,7-10,13-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 39n/an/an/an/a7.5n/a



Sanofi

US Patent


Assay Description
The assay is carried out in 1.5 ml Eppendorf tubes comprising 40 mM of Tris-HCl (pH 7.5), 15 mM of MgCl2, 1 mM of EGTA, 0.5 mg/ml of bovine serum alb...


US Patent US8846654 (2014)


BindingDB Entry DOI: 10.7270/Q21V5CPZ
More data for this
Ligand-Target Pair