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Patent code US10370337

Compile Data Set for Download or QSAR
Found 5 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
Phosphodiesterase (PDE9A2)


(Homo sapiens (Human))
BDBM409965
PNG
(4-(cycloheptyl- oxy)-2-oxo-1,2- dihydro- quinoline...)
Show SMILES O=c1[nH]c2ccccc2c(OC2CCCCCC2)c1C#N
Show InChI InChI=1S/C17H18N2O2/c18-11-14-16(21-12-7-3-1-2-4-8-12)13-9-5-6-10-15(13)19-17(14)20/h5-6,9-10,12H,1-4,7-8H2,(H,19,20)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
29n/an/an/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10370337 (2019)


BindingDB Entry DOI: 10.7270/Q2VM4FMJ
More data for this
Ligand-Target Pair
Phosphodiesterase (PDE9A2)


(Homo sapiens (Human))
BDBM409964
PNG
(US10370337, Example 1-7)
Show SMILES O=c1[nH]c2ccccc2c(OC2CCCCC2)c1C#N
Show InChI InChI=1S/C16H16N2O2/c17-10-13-15(20-11-6-2-1-3-7-11)12-8-4-5-9-14(12)18-16(13)19/h4-5,8-9,11H,1-3,6-7H2,(H,18,19)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
50.3n/an/an/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10370337 (2019)


BindingDB Entry DOI: 10.7270/Q2VM4FMJ
More data for this
Ligand-Target Pair
Phosphodiesterase (PDE9A2)


(Homo sapiens (Human))
BDBM409968
PNG
(4-((3-allyl- oxetan-3-yl) methoxy)-2- oxo-1,2- dih...)
Show SMILES C=CCC1(COc2c(C#N)c(=O)[nH]c3ccccc23)COC1
Show InChI InChI=1S/C17H16N2O3/c1-2-7-17(9-21-10-17)11-22-15-12-5-3-4-6-14(12)19-16(20)13(15)8-18/h2-6H,1,7,9-11H2,(H,19,20)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
87.8n/an/an/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10370337 (2019)


BindingDB Entry DOI: 10.7270/Q2VM4FMJ
More data for this
Ligand-Target Pair
Phosphodiesterase (PDE9A2)


(Homo sapiens (Human))
BDBM409966
PNG
(2-oxo-4- tetrahydropyran- 4-yloxy-1H- quinoline- 3...)
Show SMILES O=c1[nH]c2ccccc2c(OC2CCOCC2)c1C#N
Show InChI InChI=1S/C15H14N2O3/c16-9-12-14(20-10-5-7-19-8-6-10)11-3-1-2-4-13(11)17-15(12)18/h1-4,10H,5-8H2,(H,17,18)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
135n/an/an/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10370337 (2019)


BindingDB Entry DOI: 10.7270/Q2VM4FMJ
More data for this
Ligand-Target Pair
Phosphodiesterase (PDE9A2)


(Homo sapiens (Human))
BDBM409967
PNG
(2-oxo-4-(2- hydroxymethyl- 2-methyl-1- butyloxy)- ...)
Show SMILES CCC(C)(CO)COc1c(C#N)c(=O)[nH]c2ccccc12
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
182n/an/an/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10370337 (2019)


BindingDB Entry DOI: 10.7270/Q2VM4FMJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%