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Patent code US9796687

Compile Data Set for Download or QSAR
Found 18 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 7


(Homo sapiens (Human))
BDBM350906
PNG
(3-Phenyl-2-(2-naphthylmethylthio)-4-oxo-3,4-dihydr...)
Show SMILES O=c1n(c(SCc2ccc3ccccc3c2)nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C25H18N2OS/c28-24-22-12-6-7-13-23(22)26-25(27(24)21-10-2-1-3-11-21)29-17-18-14-15-19-8-4-5-9-20(19)16-18/h1-16H,17H2
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n/an/a 90n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350888
PNG
(3-Phenyl-2-neopentylthio-4-oxo-3,4-dihydroquinazol...)
Show SMILES CC(C)(C)CSc1nc2ccccc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C19H20N2OS/c1-19(2,3)13-23-18-20-16-12-8-7-11-15(16)17(22)21(18)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
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n/an/a 100n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350903
PNG
(3-(2-Methylphenyl)-2-(3-pyridylmethylthio)-4-oxo-3...)
Show SMILES Cc1ccccc1-n1c(SCc2cccnc2)nc2ccccc2c1=O
Show InChI InChI=1S/C21H17N3OS/c1-15-7-2-5-11-19(15)24-20(25)17-9-3-4-10-18(17)23-21(24)26-14-16-8-6-12-22-13-16/h2-13H,14H2,1H3
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n/an/a 120n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350886
PNG
(2-Cyclohexylmethylthio-3-phenyl-4-oxo-3,4-dihydroq...)
Show SMILES O=c1n(c(SCC2CCCCC2)nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C21H22N2OS/c24-20-18-13-7-8-14-19(18)22-21(23(20)17-11-5-2-6-12-17)25-15-16-9-3-1-4-10-16/h2,5-8,11-14,16H,1,3-4,9-10,15H2
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n/an/a 200n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350902
PNG
(8-Chloro-2-(3-pyridylmethylthio)-4-oxo-3,4-dihydro...)
Show SMILES Clc1cccc2c1nc(SCc1cccnc1)[nH]c2=O
Show InChI InChI=1S/C14H10ClN3OS/c15-11-5-1-4-10-12(11)17-14(18-13(10)19)20-8-9-3-2-6-16-7-9/h1-7H,8H2,(H,17,18,19)
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n/an/a 540n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350899
PNG
(2-Benzylthio-3-phenyl-4-oxo-3,4-dihydroquinazoline...)
Show SMILES O=c1n(c(SCc2ccccc2)nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C21H16N2OS/c24-20-18-13-7-8-14-19(18)22-21(23(20)17-11-5-2-6-12-17)25-15-16-9-3-1-4-10-16/h1-14H,15H2
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n/an/a 600n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350901
PNG
(3-Phenyl-2-(3-pyridylmethylthio)-4-oxo-3,4-dihydro...)
Show SMILES O=c1n(c(SCc2cccnc2)nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H15N3OS/c24-19-17-10-4-5-11-18(17)22-20(23(19)16-8-2-1-3-9-16)25-14-15-7-6-12-21-13-15/h1-13H,14H2
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n/an/a 700n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350900
PNG
(3-Phenyl-2-(2-pyridylmethylthio)-4-oxo-3,4-dihydro...)
Show SMILES O=c1n(c(SCc2ccccn2)nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H15N3OS/c24-19-17-11-4-5-12-18(17)22-20(23(19)16-9-2-1-3-10-16)25-14-15-8-6-7-13-21-15/h1-13H,14H2
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n/an/a 800n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350890
PNG
(8-Chloro-3-phenyl-2-neopentylthio-4-oxo-3,4-dihydr...)
Show SMILES CC(C)(C)CSc1nc2c(Cl)cccc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C19H19ClN2OS/c1-19(2,3)12-24-18-21-16-14(10-7-11-15(16)20)17(23)22(18)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350891
PNG
(3-(2-Methylphenyl)-2-neopentylthio-4-oxo-3,4-dihyd...)
Show SMILES Cc1ccccc1-n1c(SCC(C)(C)C)nc2ccccc2c1=O
Show InChI InChI=1S/C20H22N2OS/c1-14-9-5-8-12-17(14)22-18(23)15-10-6-7-11-16(15)21-19(22)24-13-20(2,3)4/h5-12H,13H2,1-4H3
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n/an/a 1.85E+3n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350887
PNG
(3-(2-Bromophenyl)-2-cyclohexylmethylthio-4-oxo-3,4...)
Show SMILES Brc1ccccc1-n1c(SCC2CCCCC2)nc2ccccc2c1=O
Show InChI InChI=1S/C21H21BrN2OS/c22-17-11-5-7-13-19(17)24-20(25)16-10-4-6-12-18(16)23-21(24)26-14-15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9,14H2
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n/an/a 2.11E+3n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350898
PNG
(8-Chloro-2-ethylthio-3-(2,6-difluorophenyl)-4-oxo-...)
Show SMILES CCSc1nc2c(Cl)cccc2c(=O)n1-c1c(F)cccc1F
Show InChI InChI=1S/C16H11ClF2N2OS/c1-2-23-16-20-13-9(5-3-6-10(13)17)15(22)21(16)14-11(18)7-4-8-12(14)19/h3-8H,2H2,1H3
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n/an/a 2.44E+3n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350904
PNG
(3-Phenyl-2-(4-pyridylmethylthio)-4-oxo-3,4-dihydro...)
Show SMILES O=c1n(c(SCc2ccncc2)nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H15N3OS/c24-19-17-8-4-5-9-18(17)22-20(23(19)16-6-2-1-3-7-16)25-14-15-10-12-21-13-11-15/h1-13H,14H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350893
PNG
(2-Cyclopropylmethylthio-3-(2,6-difluorophenyl)-8-m...)
Show SMILES Cc1cccc2c1nc(SCC1CC1)n(-c1c(F)cccc1F)c2=O
Show InChI InChI=1S/C19H16F2N2OS/c1-11-4-2-5-13-16(11)22-19(25-10-12-8-9-12)23(18(13)24)17-14(20)6-3-7-15(17)21/h2-7,12H,8-10H2,1H3
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n/an/a 4.56E+3n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350894
PNG
(2-Ethylthio-3-phenyl-4-oxo-3,4-dihydroquinazoline ...)
Show SMILES CCSc1nc2ccccc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H14N2OS/c1-2-20-16-17-14-11-7-6-10-13(14)15(19)18(16)12-8-4-3-5-9-12/h3-11H,2H2,1H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350895
PNG
(2-Ethylthio-3-(2,6-difluorophenyl)-4-oxo-3,4-dihyd...)
Show SMILES CCSc1nc2ccccc2c(=O)n1-c1c(F)cccc1F
Show InChI InChI=1S/C16H12F2N2OS/c1-2-22-16-19-13-9-4-3-6-10(13)15(21)20(16)14-11(17)7-5-8-12(14)18/h3-9H,2H2,1H3
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n/an/a 6.99E+3n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350889
PNG
(3-(2,6-Difluorophenyl)-8-methyl-2-neopentylthio-4-...)
Show SMILES Cc1cccc2c1nc(SCC(C)(C)C)n(-c1c(F)cccc1F)c2=O
Show InChI InChI=1S/C20H20F2N2OS/c1-12-7-5-8-13-16(12)23-19(26-11-20(2,3)4)24(18(13)25)17-14(21)9-6-10-15(17)22/h5-10H,11H2,1-4H3
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n/an/a 8.67E+3n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350892
PNG
(3-(2-Bromophenyl)-2-cyclopropylmethylthio-4-oxo-3,...)
Show SMILES Brc1ccccc1-n1c(SCC2CC2)nc2ccccc2c1=O
Show InChI InChI=1S/C18H15BrN2OS/c19-14-6-2-4-8-16(14)21-17(22)13-5-1-3-7-15(13)20-18(21)23-11-12-9-10-12/h1-8,12H,9-11H2
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n/an/a 9.44E+3n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%