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Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'gotanda' and Initial = 'k'   
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 9A


(Homo sapiens (Human))
BDBM131008
PNG
(US8829000, 70)
Show SMILES COc1cc2c(cc1C(=O)N(C)C)[nH]c(=O)c1cnc(C3CCCCC3)n21
Show InChI InChI=1S/C20H24N4O3/c1-23(2)20(26)13-9-14-15(10-17(13)27-3)24-16(19(25)22-14)11-21-18(24)12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3,(H,22,25)
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n/an/a 1.20n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131014
PNG
(US8829000, 187)
Show SMILES OC(=O)CCc1ncc2n1c1ccc(cc1[nH]c2=O)C(F)(F)F
Show InChI InChI=1S/C14H10F3N3O3/c15-14(16,17)7-1-2-9-8(5-7)19-13(23)10-6-18-11(20(9)10)3-4-12(21)22/h1-2,5-6H,3-4H2,(H,19,23)(H,21,22)
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n/an/a 2n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131013
PNG
(US8829000, 185)
Show SMILES CCc1ccc2c(c1)[nH]c(=O)c1cnc(CCC(O)=O)n21
Show InChI InChI=1S/C15H15N3O3/c1-2-9-3-4-11-10(7-9)17-15(21)12-8-16-13(18(11)12)5-6-14(19)20/h3-4,7-8H,2,5-6H2,1H3,(H,17,21)(H,19,20)
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n/an/a 2n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131010
PNG
(US8829000, 85)
Show SMILES CN(C)C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1Cl
Show InChI InChI=1S/C19H21ClN4O2/c1-23(2)19(26)12-8-14-15(9-13(12)20)24-16(18(25)22-14)10-21-17(24)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,22,25)
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n/an/a 3n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131012
PNG
(US8829000, 180)
Show SMILES OC(=O)CCc1ncc2n1c1ccc(Br)cc1[nH]c2=O
Show InChI InChI=1S/C13H10BrN3O3/c14-7-1-2-9-8(5-7)16-13(20)10-6-15-11(17(9)10)3-4-12(18)19/h1-2,5-6H,3-4H2,(H,16,20)(H,18,19)
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n/an/a 3n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131009
PNG
(US8829000, 82)
Show SMILES CCOc1cc2c(cc1C(=O)N(C)C)[nH]c(=O)c1cnc(C3CCCCC3)n21
Show InChI InChI=1S/C21H26N4O3/c1-4-28-18-11-16-15(10-14(18)21(27)24(2)3)23-20(26)17-12-22-19(25(16)17)13-8-6-5-7-9-13/h10-13H,4-9H2,1-3H3,(H,23,26)
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n/an/a 3.40n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131011
PNG
(US8829000, 86)
Show SMILES OCCN1CCN(CC1)C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1Cl
Show InChI InChI=1S/C23H28ClN5O3/c24-17-13-19-18(12-16(17)23(32)28-8-6-27(7-9-28)10-11-30)26-22(31)20-14-25-21(29(19)20)15-4-2-1-3-5-15/h12-15,30H,1-11H2,(H,26,31)
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n/an/a 8n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131016
PNG
(US8829000, Referential Example 1)
Show SMILES CC(C)c1n[nH]c2c1nc(Cc1cccc(Cl)c1)[nH]c2=O
Show InChI InChI=1S/C15H15ClN4O/c1-8(2)12-13-14(20-19-12)15(21)18-11(17-13)7-9-4-3-5-10(16)6-9/h3-6,8H,7H2,1-2H3,(H,19,20)(H,17,18,21)
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n/an/a 8n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131015
PNG
(US8829000, 189)
Show SMILES OC(=O)\C=C\c1ccc2n1c1ccc(cc1[nH]c2=O)C(F)(F)F
Show InChI InChI=1S/C15H9F3N2O3/c16-15(17,18)8-1-4-11-10(7-8)19-14(23)12-5-2-9(20(11)12)3-6-13(21)22/h1-7H,(H,19,23)(H,21,22)/b6-3+
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n/an/a 8n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131006
PNG
(US8829000, 6)
Show SMILES CC(C)c1ncc2n1c1ccc(Cl)cc1[nH]c2=O
Show InChI InChI=1S/C13H12ClN3O/c1-7(2)12-15-6-11-13(18)16-9-5-8(14)3-4-10(9)17(11)12/h3-7H,1-2H3,(H,16,18)
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n/an/a 10n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131007
PNG
(US8829000, 9)
Show SMILES CC(C)c1ncc2n1c1ccc(cc1[nH]c2=O)C(=O)N(C)C
Show InChI InChI=1S/C16H18N4O2/c1-9(2)14-17-8-13-15(21)18-11-7-10(16(22)19(3)4)5-6-12(11)20(13)14/h5-9H,1-4H3,(H,18,21)
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n/an/a 42n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM131006
PNG
(US8829000, 6)
Show SMILES CC(C)c1ncc2n1c1ccc(Cl)cc1[nH]c2=O
Show InChI InChI=1S/C13H12ClN3O/c1-7(2)12-15-6-11-13(18)16-9-5-8(14)3-4-10(9)17(11)12/h3-7H,1-2H3,(H,16,18)
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n/an/a 1.26E+3n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
By a method similar to the measurement of PDE9-inhibiting activity, PDE5-inhibiting activity of each of the test compounds was measured, percent inhi...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM131016
PNG
(US8829000, Referential Example 1)
Show SMILES CC(C)c1n[nH]c2c1nc(Cc1cccc(Cl)c1)[nH]c2=O
Show InChI InChI=1S/C15H15ClN4O/c1-8(2)12-13-14(20-19-12)15(21)18-11(17-13)7-9-4-3-5-10(16)6-9/h3-6,8H,7H2,1-2H3,(H,19,20)(H,17,18,21)
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n/an/a 1.34E+3n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
By a method similar to the measurement of PDE9-inhibiting activity, PDE5-inhibiting activity of each of the test compounds was measured, percent inhi...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM131012
PNG
(US8829000, 180)
Show SMILES OC(=O)CCc1ncc2n1c1ccc(Br)cc1[nH]c2=O
Show InChI InChI=1S/C13H10BrN3O3/c14-7-1-2-9-8(5-7)16-13(20)10-6-15-11(17(9)10)3-4-12(18)19/h1-2,5-6H,3-4H2,(H,16,20)(H,18,19)
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n/an/a 2.81E+3n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
By a method similar to the measurement of PDE9-inhibiting activity, PDE5-inhibiting activity of each of the test compounds was measured, percent inhi...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM131015
PNG
(US8829000, 189)
Show SMILES OC(=O)\C=C\c1ccc2n1c1ccc(cc1[nH]c2=O)C(F)(F)F
Show InChI InChI=1S/C15H9F3N2O3/c16-15(17,18)8-1-4-11-10(7-8)19-14(23)12-5-2-9(20(11)12)3-6-13(21)22/h1-7H,(H,19,23)(H,21,22)/b6-3+
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n/an/a 4.56E+3n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
By a method similar to the measurement of PDE9-inhibiting activity, PDE5-inhibiting activity of each of the test compounds was measured, percent inhi...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM131014
PNG
(US8829000, 187)
Show SMILES OC(=O)CCc1ncc2n1c1ccc(cc1[nH]c2=O)C(F)(F)F
Show InChI InChI=1S/C14H10F3N3O3/c15-14(16,17)7-1-2-9-8(5-7)19-13(23)10-6-18-11(20(9)10)3-4-12(21)22/h1-2,5-6H,3-4H2,(H,19,23)(H,21,22)
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n/an/a 6.37E+3n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
By a method similar to the measurement of PDE9-inhibiting activity, PDE5-inhibiting activity of each of the test compounds was measured, percent inhi...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM131011
PNG
(US8829000, 86)
Show SMILES OCCN1CCN(CC1)C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1Cl
Show InChI InChI=1S/C23H28ClN5O3/c24-17-13-19-18(12-16(17)23(32)28-8-6-27(7-9-28)10-11-30)26-22(31)20-14-25-21(29(19)20)15-4-2-1-3-5-15/h12-15,30H,1-11H2,(H,26,31)
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n/an/a 7.54E+3n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
By a method similar to the measurement of PDE9-inhibiting activity, PDE5-inhibiting activity of each of the test compounds was measured, percent inhi...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM131009
PNG
(US8829000, 82)
Show SMILES CCOc1cc2c(cc1C(=O)N(C)C)[nH]c(=O)c1cnc(C3CCCCC3)n21
Show InChI InChI=1S/C21H26N4O3/c1-4-28-18-11-16-15(10-14(18)21(27)24(2)3)23-20(26)17-12-22-19(25(16)17)13-8-6-5-7-9-13/h10-13H,4-9H2,1-3H3,(H,23,26)
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n/an/a>1.00E+4n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
By a method similar to the measurement of PDE9-inhibiting activity, PDE5-inhibiting activity of each of the test compounds was measured, percent inhi...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM131013
PNG
(US8829000, 185)
Show SMILES CCc1ccc2c(c1)[nH]c(=O)c1cnc(CCC(O)=O)n21
Show InChI InChI=1S/C15H15N3O3/c1-2-9-3-4-11-10(7-9)17-15(21)12-8-16-13(18(11)12)5-6-14(19)20/h3-4,7-8H,2,5-6H2,1H3,(H,17,21)(H,19,20)
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ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
By a method similar to the measurement of PDE9-inhibiting activity, PDE5-inhibiting activity of each of the test compounds was measured, percent inhi...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM131008
PNG
(US8829000, 70)
Show SMILES COc1cc2c(cc1C(=O)N(C)C)[nH]c(=O)c1cnc(C3CCCCC3)n21
Show InChI InChI=1S/C20H24N4O3/c1-23(2)20(26)13-9-14-15(10-17(13)27-3)24-16(19(25)22-14)11-21-18(24)12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3,(H,22,25)
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ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
By a method similar to the measurement of PDE9-inhibiting activity, PDE5-inhibiting activity of each of the test compounds was measured, percent inhi...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM131007
PNG
(US8829000, 9)
Show SMILES CC(C)c1ncc2n1c1ccc(cc1[nH]c2=O)C(=O)N(C)C
Show InChI InChI=1S/C16H18N4O2/c1-9(2)14-17-8-13-15(21)18-11-7-10(16(22)19(3)4)5-6-12(11)20(13)14/h5-9H,1-4H3,(H,18,21)
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PC sid
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US Patent
n/an/a>1.00E+4n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
By a method similar to the measurement of PDE9-inhibiting activity, PDE5-inhibiting activity of each of the test compounds was measured, percent inhi...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM131010
PNG
(US8829000, 85)
Show SMILES CN(C)C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1Cl
Show InChI InChI=1S/C19H21ClN4O2/c1-23(2)19(26)12-8-14-15(9-13(12)20)24-16(18(25)22-14)10-21-17(24)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,22,25)
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n/an/a>1.00E+4n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
By a method similar to the measurement of PDE9-inhibiting activity, PDE5-inhibiting activity of each of the test compounds was measured, percent inhi...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair