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BDBM135584 US8846654, 294

SMILES: FCC(CF)Oc1ccc2n(C3CCN(CC3)C=O)c(=O)n(Cc3ccc(-c4ccccc4)c(c3)C#N)c(=O)c2c1

InChI Key: InChIKey=ORTHDXKTDAKOBP-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 135584   
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))
BDBM135584
PNG
(US8846654, 294)
Show SMILES FCC(CF)Oc1ccc2n(C3CCN(CC3)C=O)c(=O)n(Cc3ccc(-c4ccccc4)c(c3)C#N)c(=O)c2c1
Show InChI InChI=1S/C31H28F2N4O4/c32-16-26(17-33)41-25-7-9-29-28(15-25)30(39)36(31(40)37(29)24-10-12-35(20-38)13-11-24)19-21-6-8-27(23(14-21)18-34)22-4-2-1-3-5-22/h1-9,14-15,20,24,26H,10-13,16-17,19H2
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 15n/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))
BDBM135584
PNG
(US8846654, 294)
Show SMILES FCC(CF)Oc1ccc2n(C3CCN(CC3)C=O)c(=O)n(Cc3ccc(-c4ccccc4)c(c3)C#N)c(=O)c2c1
Show InChI InChI=1S/C31H28F2N4O4/c32-16-26(17-33)41-25-7-9-29-28(15-25)30(39)36(31(40)37(29)24-10-12-35(20-38)13-11-24)19-21-6-8-27(23(14-21)18-34)22-4-2-1-3-5-22/h1-9,14-15,20,24,26H,10-13,16-17,19H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 37n/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