BindingDB logo
myBDB logout

Patent code US8680116

Compile Data Set for Download or QSAR
Found 9 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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50444037
PNG
(CHEMBL3092564 | US8680116, 1-15)
Show SMILES O=c1[nH]c2ccc(cc2c(OCC2CCNCC2)c1-c1cccs1)C#Cc1cccnc1
Show InChI InChI=1S/C26H23N3O2S/c30-26-24(23-4-2-14-32-23)25(31-17-20-9-12-27-13-10-20)21-15-18(7-8-22(21)29-26)5-6-19-3-1-11-28-16-19/h1-4,7-8,11,14-16,20,27H,9-10,12-13,17H2,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
1.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US8680116 (2014)


BindingDB Entry DOI: 10.7270/Q2N29VM1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM119685
PNG
(US8680116, 1-57)
Show SMILES CC(C)(O)C#Cc1ccc2[nH]c(=O)c(-c3cccs3)c(OCC3CCOCC3)c2c1
Show InChI InChI=1S/C24H25NO4S/c1-24(2,27)10-7-16-5-6-19-18(14-16)22(29-15-17-8-11-28-12-9-17)21(23(26)25-19)20-4-3-13-30-20/h3-6,13-14,17,27H,8-9,11-12,15H2,1-2H3,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US8680116 (2014)


BindingDB Entry DOI: 10.7270/Q2N29VM1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM119686
PNG
(US8680116, 1-63)
Show SMILES COc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(c3)-c3ccccn3)c2cc1OC
Show InChI InChI=1S/C26H20N2O3S/c1-30-21-14-18-20(15-22(21)31-2)28-26(29)25(23-10-6-12-32-23)24(18)17-8-5-7-16(13-17)19-9-3-4-11-27-19/h3-15H,1-2H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
34n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US8680116 (2014)


BindingDB Entry DOI: 10.7270/Q2N29VM1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM119682
PNG
(US8680116, 1-23)
Show SMILES CN1CCC(COc2c(-c3cccs3)c(=O)[nH]c3ccc(cc23)C#Cc2cccnc2)CC1
Show InChI InChI=1S/C27H25N3O2S/c1-30-13-10-21(11-14-30)18-32-26-22-16-19(6-7-20-4-2-12-28-17-20)8-9-23(22)29-27(31)25(26)24-5-3-15-33-24/h2-5,8-9,12,15-17,21H,10-11,13-14,18H2,1H3,(H,29,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
62n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US8680116 (2014)


BindingDB Entry DOI: 10.7270/Q2N29VM1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM119680
PNG
(US8680116, 1-13)
Show SMILES CN1CCC(COc2c(-c3cccs3)c(=O)[nH]c3ccc(Br)cc23)CC1
Show InChI InChI=1S/C20H21BrN2O2S/c1-23-8-6-13(7-9-23)12-25-19-15-11-14(21)4-5-16(15)22-20(24)18(19)17-3-2-10-26-17/h2-5,10-11,13H,6-9,12H2,1H3,(H,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
73n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US8680116 (2014)


BindingDB Entry DOI: 10.7270/Q2N29VM1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM119687
PNG
(US8680116, 1-85)
Show SMILES COc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(c3)C3CCCC3)c2cc1OC
Show InChI InChI=1S/C26H25NO3S/c1-29-21-14-19-20(15-22(21)30-2)27-26(28)25(23-11-6-12-31-23)24(19)18-10-5-9-17(13-18)16-7-3-4-8-16/h5-6,9-16H,3-4,7-8H2,1-2H3,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
110n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US8680116 (2014)


BindingDB Entry DOI: 10.7270/Q2N29VM1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM119683
PNG
(US8680116, 1-48)
Show SMILES O=c1[nH]c2ccc(cc2c(OCc2ccccn2)c1-c1cccs1)-c1ccncc1
Show InChI InChI=1S/C24H17N3O2S/c28-24-22(21-5-3-13-30-21)23(29-15-18-4-1-2-10-26-18)19-14-17(6-7-20(19)27-24)16-8-11-25-12-9-16/h1-14H,15H2,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
160n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US8680116 (2014)


BindingDB Entry DOI: 10.7270/Q2N29VM1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM119681
PNG
(US8680116, 1-18)
Show SMILES COc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(c3)C#N)c2cc1-c1ccccc1
Show InChI InChI=1S/C27H18N2O2S/c1-31-23-15-22-21(14-20(23)18-8-3-2-4-9-18)25(19-10-5-7-17(13-19)16-28)26(27(30)29-22)24-11-6-12-32-24/h2-15H,1H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US8680116 (2014)


BindingDB Entry DOI: 10.7270/Q2N29VM1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM119684
PNG
(US8680116, 1-51)
Show SMILES Brc1ccc2[nH]c(=O)c(-c3cccs3)c(\C=C\c3ccccn3)c2c1
Show InChI InChI=1S/C20H13BrN2OS/c21-13-6-9-17-16(12-13)15(8-7-14-4-1-2-10-22-14)19(20(24)23-17)18-5-3-11-25-18/h1-12H,(H,23,24)/b8-7+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
900n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US8680116 (2014)


BindingDB Entry DOI: 10.7270/Q2N29VM1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%