BindingDB logo
myBDB logout

Patent code US8846654

Compile Data Set for Download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM135582
PNG
(US8846654, 111)
Show SMILES COc1ccc(Cn2c(=O)n(C3CCN(CC3)C=O)c3ccc(OC(F)F)cc3c2=O)cc1OC
Show InChI InChI=1S/C24H25F2N3O6/c1-33-20-6-3-15(11-21(20)34-2)13-28-22(31)18-12-17(35-23(25)26)4-5-19(18)29(24(28)32)16-7-9-27(14-30)10-8-16/h3-6,11-12,14,16,23H,7-10,13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 6.70n/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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM135578
PNG
(US8846654, 16)
Show SMILES COc1ccc(Cn2c(=O)n(C3CCN(CC3)C=O)c3ccc(OCC(F)F)cc3c2=O)cc1OC
Show InChI InChI=1S/C25H27F2N3O6/c1-34-21-6-3-16(11-22(21)35-2)13-29-24(32)19-12-18(36-14-23(26)27)4-5-20(19)30(25(29)33)17-7-9-28(15-31)10-8-17/h3-6,11-12,15,17,23H,7-10,13-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 15n/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
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

Reactome pathway
KEGG

UniProtKB/SwissProt

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

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
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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM135583
PNG
(US8846654, 251)
Show SMILES COc1cc(Cn2c(=O)n(C3CCN(CC3)C=O)c3ccc(OC(CF)CF)cc3c2=O)ccc1OCC(=O)N1CCCCC1
Show InChI InChI=1S/C32H38F2N4O7/c1-43-29-15-22(5-8-28(29)44-20-30(40)36-11-3-2-4-12-36)19-37-31(41)26-16-24(45-25(17-33)18-34)6-7-27(26)38(32(37)42)23-9-13-35(21-39)14-10-23/h5-8,15-16,21,23,25H,2-4,9-14,17-20H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 46n/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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM135581
PNG
(US8846654, 97)
Show SMILES COc1ccc(Cn2c(=O)n(C3CCN(CC3)C=O)c3cc(Cl)cc(Cl)c3c2=O)cc1OC
Show InChI InChI=1S/C23H23Cl2N3O5/c1-32-19-4-3-14(9-20(19)33-2)12-27-22(30)21-17(25)10-15(24)11-18(21)28(23(27)31)16-5-7-26(13-29)8-6-16/h3-4,9-11,13,16H,5-8,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 61n/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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM135579
PNG
(US8846654, 72)
Show SMILES COc1ccc(Cn2c(=O)n(C3CCN(CC3)C=O)c3ccc(OCCO)cc3c2=O)cc1OC
Show InChI InChI=1S/C25H29N3O7/c1-33-22-6-3-17(13-23(22)34-2)15-27-24(31)20-14-19(35-12-11-29)4-5-21(20)28(25(27)32)18-7-9-26(16-30)10-8-18/h3-6,13-14,16,18,29H,7-12,15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 89n/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
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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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 and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A


(Homo sapiens (Human))
BDBM135583
PNG
(US8846654, 251)
Show SMILES COc1cc(Cn2c(=O)n(C3CCN(CC3)C=O)c3ccc(OC(CF)CF)cc3c2=O)ccc1OCC(=O)N1CCCCC1
Show InChI InChI=1S/C32H38F2N4O7/c1-43-29-15-22(5-8-28(29)44-20-30(40)36-11-3-2-4-12-36)19-37-31(41)26-16-24(45-25(17-33)18-34)6-7-27(26)38(32(37)42)23-9-13-35(21-39)14-10-23/h5-8,15-16,21,23,25H,2-4,9-14,17-20H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 390n/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))
BDBM135580
PNG
(US8846654, 77)
Show SMILES COc1ccc(Cn2c(=O)n(C3CCN(C3)C=O)c3ccc(CNC(C)=O)cc3c2=O)cc1OC
Show InChI InChI=1S/C25H28N4O6/c1-16(31)26-12-17-4-6-21-20(10-17)24(32)28(13-18-5-7-22(34-2)23(11-18)35-3)25(33)29(21)19-8-9-27(14-19)15-30/h4-7,10-11,15,19H,8-9,12-14H2,1-3H3,(H,26,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 820n/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
* indicates data uncertainty>20%