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Patent code US10370336

Compile Data Set for Download or QSAR
Found 6 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))		BDBM409778
PNG
(2-oxo-4-[3- (pyridin-3-yl) pyrrolidin-1- yl]-1,2- ...)
Show SMILES CCc1ccc(cc1)-c1c(C#N)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C18H14N2O/c1-2-12-7-9-13(10-8-12)17-14-5-3-4-6-16(14)20-18(21)15(17)11-19/h3-10H,2H2,1H3,(H,20,21)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
 3.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US10370336 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z49
More data for this
Ligand-Target Pair
Phosphodiesterase (PDE9A2)


(Homo sapiens (Human))		BDBM409949
PNG
(4-(2-fluoro- 4-methyl- phenyl)-2- oxo-1H- quinolin...)
Show SMILES Cc1ccc(c(F)c1)-c1c(C#N)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C17H11FN2O/c1-10-6-7-11(14(18)8-10)16-12-4-2-3-5-15(12)20-17(21)13(16)9-19/h2-8H,1H3,(H,20,21)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
 7.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US10370336 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z49
More data for this
Ligand-Target Pair
Phosphodiesterase (PDE9A2)


(Homo sapiens (Human))		BDBM409781
PNG
(2-oxo-4- (p-tolyl)-1H- quinoline-3- carbonitrile |...)
Show SMILES Cc1ccc(cc1)-c1c(C#N)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C17H12N2O/c1-11-6-8-12(9-7-11)16-13-4-2-3-5-15(13)19-17(20)14(16)10-18/h2-9H,1H3,(H,19,20)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
 8.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US10370336 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z49
More data for this
Ligand-Target Pair
Phosphodiesterase (PDE9A2)


(Homo sapiens (Human))		BDBM409783
PNG
(4-(2-naphthyl)- 2-oxo-1H- quinoline-3- carbonitril...)
Show SMILES Oc1nc2ccccc2c(-c2ccc3ccccc3c2)c1C#N
Show InChI InChI=1S/C20H12N2O/c21-12-17-19(16-7-3-4-8-18(16)22-20(17)23)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,(H,22,23)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
 14.8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US10370336 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z49
More data for this
Ligand-Target Pair
Phosphodiesterase (PDE9A2)


(Homo sapiens (Human))		BDBM409774
PNG
(US10370336, Example 1-14 | US10370336, Example 1-7)
Show SMILES O=c1[nH]c2ccccc2c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C16H10N2O/c17-10-13-15(11-6-2-1-3-7-11)12-8-4-5-9-14(12)18-16(13)19/h1-9H,(H,18,19)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
 66n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US10370336 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z49
More data for this
Ligand-Target Pair
Phosphodiesterase (PDE9A2)


(Homo sapiens (Human))		BDBM409774
PNG
(US10370336, Example 1-14 | US10370336, Example 1-7)
Show SMILES O=c1[nH]c2ccccc2c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C16H10N2O/c17-10-13-15(11-6-2-1-3-7-11)12-8-4-5-9-14(12)18-16(13)19/h1-9H,(H,18,19)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
 444n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US10370336 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z49
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%