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Patent code US9605008

Compile Data Set for Download or QSAR
Found 21 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 5 (PDE5)


(Homo sapiens (human))
BDBM312960
PNG
(3-[1-(2,3-Difluoro-4-methylbenzyl)-5-fluoro-6-meth...)
Show SMILES Cc1ccc(Cn2nc(-c3nnc4c(NC(=O)C4(C)C)n3)c3cc(F)c(C)nc23)c(F)c1F
Show InChI InChI=1S/C22H18F3N7O/c1-9-5-6-11(15(25)14(9)24)8-32-20-12(7-13(23)10(2)26-20)16(31-32)18-27-19-17(29-30-18)22(3,4)21(33)28-19/h5-7H,8H2,1-4H3,(H,27,28,30,33)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312961
PNG
(3-[1-(2,3-Difluoro-4-methylbenzyl)-6-methyl-1H-pyr...)
Show SMILES Cc1ccc2c(nn(Cc3ccc(C)c(F)c3F)c2n1)-c1nnc2c(NC(=O)C2(C)C)n1
Show InChI InChI=1S/C22H19F2N7O/c1-10-5-7-12(15(24)14(10)23)9-31-20-13(8-6-11(2)25-20)16(30-31)18-26-19-17(28-29-18)22(3,4)21(32)27-19/h5-8H,9H2,1-4H3,(H,26,27,29,32)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312944
PNG
(3-[5-Fluoro-1-(2-fluoro-4-methylbenzyl)-6-methyl-1...)
Show SMILES Cc1ccc(Cn2nc(-c3nnc4c(NC(=O)C4(C)C)n3)c3cc(F)c(C)nc23)c(F)c1
Show InChI InChI=1S/C22H19F2N7O/c1-10-5-6-12(15(24)7-10)9-31-20-13(8-14(23)11(2)25-20)16(30-31)18-26-19-17(28-29-18)22(3,4)21(32)27-19/h5-8H,9H2,1-4H3,(H,26,27,29,32)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312945
PNG
(3-[1-(2-Fluoro-4-methylbenzyl)-6-methyl-1H-pyrazol...)
Show SMILES Cc1ccc(Cn2nc(-c3nnc4c(NC(=O)C4(C)C)n3)c3ccc(C)nc23)c(F)c1
Show InChI InChI=1S/C22H20FN7O/c1-11-5-7-13(15(23)9-11)10-30-20-14(8-6-12(2)24-20)16(29-30)18-25-19-17(27-28-18)22(3,4)21(31)26-19/h5-9H,10H2,1-4H3,(H,25,26,28,31)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312965
PNG
(3′-[1-(2,3-Difluoro-4-methylbenzyl)-6-methyl...)
Show SMILES Cc1ccc2c(nn(Cc3ccc(C)c(F)c3F)c2n1)-c1nnc2c(NC(=O)C22CC2)n1
Show InChI InChI=1S/C22H17F2N7O/c1-10-3-5-12(15(24)14(10)23)9-31-20-13(6-4-11(2)25-20)16(30-31)18-26-19-17(28-29-18)22(7-8-22)21(32)27-19/h3-6H,7-9H2,1-2H3,(H,26,27,29,32)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312950
PNG
(3-[1-(4-Chloro-2-fluorobenzyl)-6-methyl-1H-pyrazol...)
Show SMILES Cc1ccc2c(nn(Cc3ccc(Cl)cc3F)c2n1)-c1nnc2c(NC(=O)C2(C)C)n1
Show InChI InChI=1S/C21H17ClFN7O/c1-10-4-7-13-15(17-25-18-16(27-28-17)21(2,3)20(31)26-18)29-30(19(13)24-10)9-11-5-6-12(22)8-14(11)23/h4-8H,9H2,1-3H3,(H,25,26,28,31)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312942
PNG
(Sodium 3-[1-(2,3-difluorobenzyl)-5-fluoro-6-methyl...)
Show SMILES Cc1nc2n(Cc3cccc(F)c3F)nc(-c3nnc4c([N-]C(=O)C4(C)C)n3)c2cc1F
Show InChI InChI=1S/C21H16F3N7O/c1-9-13(23)7-11-15(17-26-18-16(28-29-17)21(2,3)20(32)27-18)30-31(19(11)25-9)8-10-5-4-6-12(22)14(10)24/h4-7H,8H2,1-3H3,(H,26,27,29,32)/p-1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312933
PNG
( 3-[1-(2,3-Difluorobenzyl)-5-fluoro-6-methyl-1H-py...)
Show SMILES Cc1nc2n(Cc3cccc(F)c3F)nc(-c3nnc4c(NC(=O)C4(C)C)n3)c2cc1F
Show InChI InChI=1S/C21H16F3N7O/c1-9-13(23)7-11-15(17-26-18-16(28-29-17)21(2,3)20(32)27-18)30-31(19(11)25-9)8-10-5-4-6-12(22)14(10)24/h4-7H,8H2,1-3H3,(H,26,27,29,32)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312948
PNG
(3-[1-(4-Chloro-2-fluorobenzyl)-5-fluoro-6-methyl-1...)
Show SMILES Cc1nc2n(Cc3ccc(Cl)cc3F)nc(-c3nnc4c(NC(=O)C4(C)C)n3)c2cc1F
Show InChI InChI=1S/C21H16ClF2N7O/c1-9-13(23)7-12-15(17-26-18-16(28-29-17)21(2,3)20(32)27-18)30-31(19(12)25-9)8-10-4-5-11(22)6-14(10)24/h4-7H,8H2,1-3H3,(H,26,27,29,32)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312958
PNG
(3-[5-Fluoro-1-(3-fluoro-4-methylbenzyl)-6-methyl-1...)
Show SMILES Cc1ccc(Cn2nc(-c3nnc4c(NC(=O)C4(C)C)n3)c3cc(F)c(C)nc23)cc1F
Show InChI InChI=1S/C22H19F2N7O/c1-10-5-6-12(7-14(10)23)9-31-20-13(8-15(24)11(2)25-20)16(30-31)18-26-19-17(28-29-18)22(3,4)21(32)27-19/h5-8H,9H2,1-4H3,(H,26,27,29,32)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312959
PNG
(3-[1-(3-Fluoro-4-methylbenzyl)-6-methyl-1H-pyrazol...)
Show SMILES Cc1ccc2c(nn(Cc3ccc(C)c(F)c3)c2n1)-c1nnc2c(NC(=O)C2(C)C)n1
Show InChI InChI=1S/C22H20FN7O/c1-11-5-7-13(9-15(11)23)10-30-20-14(8-6-12(2)24-20)16(29-30)18-25-19-17(27-28-18)22(3,4)21(31)26-19/h5-9H,10H2,1-4H3,(H,25,26,28,31)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312962
PNG
(3′-[1-(2-Fluoro-4-methylbenzyl)-6-methyl-1H-...)
Show SMILES Cc1ccc(Cn2nc(-c3nnc4c(NC(=O)C44CC4)n3)c3ccc(C)nc23)c(F)c1
Show InChI InChI=1S/C22H18FN7O/c1-11-3-5-13(15(23)9-11)10-30-20-14(6-4-12(2)24-20)16(29-30)18-25-19-17(27-28-18)22(7-8-22)21(31)26-19/h3-6,9H,7-8,10H2,1-2H3,(H,25,26,28,31)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312946
PNG
(3-[1-(2,4-Difluorobenzyl)-5-fluoro-6-methyl-1H-pyr...)
Show SMILES Cc1nc2n(Cc3ccc(F)cc3F)nc(-c3nnc4c(NC(=O)C4(C)C)n3)c2cc1F
Show InChI InChI=1S/C21H16F3N7O/c1-9-13(23)7-12-15(17-26-18-16(28-29-17)21(2,3)20(32)27-18)30-31(19(12)25-9)8-10-4-5-11(22)6-14(10)24/h4-7H,8H2,1-3H3,(H,26,27,29,32)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312952
PNG
(7,7-Dimethyl-3-[6-methyl-1-(2,3,6-trifluorobenzyl)...)
Show SMILES Cc1ccc2c(nn(Cc3c(F)ccc(F)c3F)c2n1)-c1nnc2c(NC(=O)C2(C)C)n1
Show InChI InChI=1S/C21H16F3N7O/c1-9-4-5-10-15(17-26-18-16(28-29-17)21(2,3)20(32)27-18)30-31(19(10)25-9)8-11-12(22)6-7-13(23)14(11)24/h4-7H,8H2,1-3H3,(H,26,27,29,32)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312963
PNG
(3′-[1-(2,3-Difluorobenzyl)-6-methyl-1H-pyraz...)
Show SMILES Cc1ccc2c(nn(Cc3cccc(F)c3F)c2n1)-c1nnc2c(NC(=O)C22CC2)n1
Show InChI InChI=1S/C21H15F2N7O/c1-10-5-6-12-15(17-25-18-16(27-28-17)21(7-8-21)20(31)26-18)29-30(19(12)24-10)9-11-3-2-4-13(22)14(11)23/h2-6H,7-9H2,1H3,(H,25,26,28,31)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312957
PNG
(3-[1-(2,6-Difluorobenzyl)-6-methyl-1H-pyrazolo[3,4...)
Show SMILES Cc1ccc2c(nn(Cc3c(F)cccc3F)c2n1)-c1nnc2c(NC(=O)C2(C)C)n1
Show InChI InChI=1S/C21H17F2N7O/c1-10-7-8-11-15(17-25-18-16(27-28-17)21(2,3)20(31)26-18)29-30(19(11)24-10)9-12-13(22)5-4-6-14(12)23/h4-8H,9H2,1-3H3,(H,25,26,28,31)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312951
PNG
(3-[5-Fluoro-6-methyl-1-(2,3,6-trifluorobenzyl)-1H-...)
Show SMILES Cc1nc2n(Cc3c(F)ccc(F)c3F)nc(-c3nnc4c(NC(=O)C4(C)C)n3)c2cc1F
Show InChI InChI=1S/C21H15F4N7O/c1-8-13(24)6-9-15(17-27-18-16(29-30-17)21(2,3)20(33)28-18)31-32(19(9)26-8)7-10-11(22)4-5-12(23)14(10)25/h4-6H,7H2,1-3H3,(H,27,28,30,33)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312947
PNG
(3-[1-(2,4-Difluorobenzyl)-6-methyl-1H-pyrazolo[3,4...)
Show SMILES Cc1ccc2c(nn(Cc3ccc(F)cc3F)c2n1)-c1nnc2c(NC(=O)C2(C)C)n1
Show InChI InChI=1S/C21H17F2N7O/c1-10-4-7-13-15(17-25-18-16(27-28-17)21(2,3)20(31)26-18)29-30(19(13)24-10)9-11-5-6-12(22)8-14(11)23/h4-8H,9H2,1-3H3,(H,25,26,28,31)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312953
PNG
(3-[1-(3-Chloro-2-fluorobenzyl)-5-fluoro-6-methyl-1...)
Show SMILES Cc1nc2n(Cc3cccc(Cl)c3F)nc(-c3nnc4c(NC(=O)C4(C)C)n3)c2cc1F
Show InChI InChI=1S/C21H16ClF2N7O/c1-9-13(23)7-11-15(17-26-18-16(28-29-17)21(2,3)20(32)27-18)30-31(19(11)25-9)8-10-5-4-6-12(22)14(10)24/h4-7H,8H2,1-3H3,(H,26,27,29,32)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312955
PNG
(3-[1-(3-Chloro-2-fluorobenzyl)-6-methyl-1H-pyrazol...)
Show SMILES Cc1ccc2c(nn(Cc3cccc(Cl)c3F)c2n1)-c1nnc2c(NC(=O)C2(C)C)n1
Show InChI InChI=1S/C21H17ClFN7O/c1-10-7-8-12-15(17-25-18-16(27-28-17)21(2,3)20(31)26-18)29-30(19(12)24-10)9-11-5-4-6-13(22)14(11)23/h4-8H,9H2,1-3H3,(H,25,26,28,31)
PDB
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US Patent
n/an/a 63n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 5 (PDE5)


(Homo sapiens (human))
BDBM312956
PNG
(3-[1-(2,6-Difluorobenzyl)-5-fluoro-6-methyl-1H-pyr...)
Show SMILES Cc1nc2n(Cc3c(F)cccc3F)nc(-c3nnc4c(NC(=O)C4(C)C)n3)c2cc1F
Show InChI InChI=1S/C21H16F3N7O/c1-9-14(24)7-10-15(17-26-18-16(28-29-17)21(2,3)20(32)27-18)30-31(19(10)25-9)8-11-12(22)5-4-6-13(11)23/h4-7H,8H2,1-3H3,(H,26,27,29,32)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 67n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9605008 (2017)

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