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Patent code US10221160

Compile Data Set for Download or QSAR
Found 12 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
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM25817
PNG
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Show SMILES OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
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US Patent
n/an/a 8.00E+3n/an/an/an/an/an/a



Mycovia Pharmaceuticals, Inc.

US Patent


Assay Description
Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...


US Patent US10221160 (2019)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM25817
PNG
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Show SMILES OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
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US Patent
n/an/a 8.20E+3n/an/an/an/an/an/a



Mycovia Pharmaceuticals, Inc.

US Patent


Assay Description
Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...


US Patent US10221160 (2019)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM234945
PNG
(US10221160, Voriconazole | US9556143, 31 | US95561...)
Show SMILES CC(C)OC\C=C\c1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Show InChI InChI=1S/C21H21F4N5O2/c1-14(2)32-9-3-4-15-5-8-19(26-11-15)21(24,25)20(31,12-30-13-27-28-29-30)17-7-6-16(22)10-18(17)23/h3-8,10-11,13-14,31H,9,12H2,1-2H3/b4-3+
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US Patent
n/an/a 1.30E+4n/an/an/an/an/an/a



Mycovia Pharmaceuticals, Inc.

US Patent


Assay Description
Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...


US Patent US10221160 (2019)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM234945
PNG
(US10221160, Voriconazole | US9556143, 31 | US95561...)
Show SMILES CC(C)OC\C=C\c1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Show InChI InChI=1S/C21H21F4N5O2/c1-14(2)32-9-3-4-15-5-8-19(26-11-15)21(24,25)20(31,12-30-13-27-28-29-30)17-7-6-16(22)10-18(17)23/h3-8,10-11,13-14,31H,9,12H2,1-2H3/b4-3+
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US Patent
n/an/a 1.40E+4n/an/an/an/an/an/a



Mycovia Pharmaceuticals, Inc.

US Patent


Assay Description
Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...


US Patent US10221160 (2019)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM234945
PNG
(US10221160, Voriconazole | US9556143, 31 | US95561...)
Show SMILES CC(C)OC\C=C\c1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Show InChI InChI=1S/C21H21F4N5O2/c1-14(2)32-9-3-4-15-5-8-19(26-11-15)21(24,25)20(31,12-30-13-27-28-29-30)17-7-6-16(22)10-18(17)23/h3-8,10-11,13-14,31H,9,12H2,1-2H3/b4-3+
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US Patent
n/an/a 1.50E+4n/an/an/an/an/an/a



Mycovia Pharmaceuticals, Inc.

US Patent


Assay Description
Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...


US Patent US10221160 (2019)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM124182
PNG
(US10221160, Example 1 | US8754227, 1)
Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H14F4N6O/c23-17-6-7-18(19(24)9-17)21(33,12-32-13-29-30-31-32)22(25,26)20-8-5-16(11-28-20)15-3-1-14(10-27)2-4-15/h1-9,11,13,33H,12H2
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US Patent
n/an/a 1.60E+4n/an/an/an/an/an/a



Mycovia Pharmaceuticals, Inc.

US Patent


Assay Description
Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...


US Patent US10221160 (2019)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM25817
PNG
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Show SMILES OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
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US Patent
n/an/a 2.90E+4n/an/an/an/an/an/a



Mycovia Pharmaceuticals, Inc.

US Patent


Assay Description
Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...


US Patent US10221160 (2019)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM124182
PNG
(US10221160, Example 1 | US8754227, 1)
Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H14F4N6O/c23-17-6-7-18(19(24)9-17)21(33,12-32-13-29-30-31-32)22(25,26)20-8-5-16(11-28-20)15-3-1-14(10-27)2-4-15/h1-9,11,13,33H,12H2
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n/an/a 3.50E+4n/an/an/an/an/an/a



Mycovia Pharmaceuticals, Inc.

US Patent


Assay Description
Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...


US Patent US10221160 (2019)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM124183
PNG
(US10221160, Example 2 | US8754227, 2)
Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H14F7N5O/c23-16-6-7-17(18(24)9-16)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-4-15(5-2-13)22(27,28)29/h1-10,12,35H,11H2
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n/an/a>6.00E+4n/an/an/an/an/an/a



Mycovia Pharmaceuticals, Inc.

US Patent


Assay Description
Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...


US Patent US10221160 (2019)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM124182
PNG
(US10221160, Example 1 | US8754227, 1)
Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H14F4N6O/c23-17-6-7-18(19(24)9-17)21(33,12-32-13-29-30-31-32)22(25,26)20-8-5-16(11-28-20)15-3-1-14(10-27)2-4-15/h1-9,11,13,33H,12H2
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n/an/a>6.00E+4n/an/an/an/an/an/a



Mycovia Pharmaceuticals, Inc.

US Patent


Assay Description
Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...


US Patent US10221160 (2019)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM124183
PNG
(US10221160, Example 2 | US8754227, 2)
Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H14F7N5O/c23-16-6-7-17(18(24)9-16)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-4-15(5-2-13)22(27,28)29/h1-10,12,35H,11H2
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n/an/a>6.00E+4n/an/an/an/an/an/a



Mycovia Pharmaceuticals, Inc.

US Patent


Assay Description
Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...


US Patent US10221160 (2019)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM124183
PNG
(US10221160, Example 2 | US8754227, 2)
Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H14F7N5O/c23-16-6-7-17(18(24)9-16)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-4-15(5-2-13)22(27,28)29/h1-10,12,35H,11H2
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n/an/a>6.00E+4n/an/an/an/an/an/a



Mycovia Pharmaceuticals, Inc.

US Patent


Assay Description
Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...


US Patent US10221160 (2019)

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