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Patent code US9556143

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
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



Viamet Pharmaceuticals, Inc.

US Patent




Citation and Details
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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n/an/a 8.20E+3n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent




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


(Homo sapiens (human))
BDBM234945
PNG
(US9556143, 31 | US9556143, Voriconazole)
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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n/an/a 1.30E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent




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


(Homo sapiens (human))
BDBM234945
PNG
(US9556143, 31 | US9556143, Voriconazole)
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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n/an/a 1.40E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 μM by serial dilution with DMS...


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


(Homo sapiens (human))
BDBM234945
PNG
(US9556143, 31 | US9556143, Voriconazole)
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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n/an/a 1.50E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent




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


(Homo sapiens (human))
BDBM234944
PNG
(US9556143, 30)
Show SMILES CCOCCCc1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Show InChI InChI=1S/C20H21F4N5O2/c1-2-31-9-3-4-14-5-8-18(25-11-14)20(23,24)19(30,12-29-13-26-27-28-29)16-7-6-15(21)10-17(16)22/h5-8,10-11,13,30H,2-4,9,12H2,1H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent




Citation and Details
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



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 μM by serial dilution with DMS...


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


(Homo sapiens (human))
BDBM234945
PNG
(US9556143, 31 | US9556143, Voriconazole)
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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n/an/a 3.30E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent




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


(Homo sapiens (human))
BDBM234944
PNG
(US9556143, 30)
Show SMILES CCOCCCc1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Show InChI InChI=1S/C20H21F4N5O2/c1-2-31-9-3-4-14-5-8-18(25-11-14)20(23,24)19(30,12-29-13-26-27-28-29)16-7-6-15(21)10-17(16)22/h5-8,10-11,13,30H,2-4,9,12H2,1H3
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n/an/a 4.20E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 μM by serial dilution with DMS...


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


(Homo sapiens (human))
BDBM234944
PNG
(US9556143, 30)
Show SMILES CCOCCCc1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Show InChI InChI=1S/C20H21F4N5O2/c1-2-31-9-3-4-14-5-8-18(25-11-14)20(23,24)19(30,12-29-13-26-27-28-29)16-7-6-15(21)10-17(16)22/h5-8,10-11,13,30H,2-4,9,12H2,1H3
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n/an/a 5.30E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent




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


(Homo sapiens (human))
BDBM234945
PNG
(US9556143, 31 | US9556143, Voriconazole)
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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n/an/a 6.10E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent




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


(Homo sapiens (human))
BDBM198658
PNG
(US9221791, 4 | US9556143, 4)
Show SMILES CCOC(=O)\C=C\c1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Show InChI InChI=1S/C20H17F4N5O3/c1-2-32-18(30)8-4-13-3-7-17(25-10-13)20(23,24)19(31,11-29-12-26-27-28-29)15-6-5-14(21)9-16(15)22/h3-10,12,31H,2,11H2,1H3/b8-4+
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n/an/a 7.50E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 μM by serial dilution with DMS...


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


(Homo sapiens (human))
BDBM234945
PNG
(US9556143, 31 | US9556143, Voriconazole)
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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n/an/a 8.10E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 μM by serial dilution with DMS...


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


(Homo sapiens (human))
BDBM198660
PNG
(US9221791, 6 | US9556143, 6)
Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(\C=C\COCC(F)(F)F)cn1
Show InChI InChI=1S/C20H16F7N5O2/c21-14-4-5-15(16(22)8-14)18(33,10-32-12-29-30-31-32)20(26,27)17-6-3-13(9-28-17)2-1-7-34-11-19(23,24)25/h1-6,8-9,12,33H,7,10-11H2/b2-1+
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n/an/a 8.10E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent




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


(Homo sapiens (human))
BDBM198658
PNG
(US9221791, 4 | US9556143, 4)
Show SMILES CCOC(=O)\C=C\c1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Show InChI InChI=1S/C20H17F4N5O3/c1-2-32-18(30)8-4-13-3-7-17(25-10-13)20(23,24)19(31,11-29-12-26-27-28-29)15-6-5-14(21)9-16(15)22/h3-10,12,31H,2,11H2,1H3/b8-4+
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n/an/a 8.30E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent




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


(Homo sapiens (human))
BDBM198660
PNG
(US9221791, 6 | US9556143, 6)
Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(\C=C\COCC(F)(F)F)cn1
Show InChI InChI=1S/C20H16F7N5O2/c21-14-4-5-15(16(22)8-14)18(33,10-32-12-29-30-31-32)20(26,27)17-6-3-13(9-28-17)2-1-7-34-11-19(23,24)25/h1-6,8-9,12,33H,7,10-11H2/b2-1+
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n/an/a 9.10E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent




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


(Homo sapiens (human))
BDBM198660
PNG
(US9221791, 6 | US9556143, 6)
Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(\C=C\COCC(F)(F)F)cn1
Show InChI InChI=1S/C20H16F7N5O2/c21-14-4-5-15(16(22)8-14)18(33,10-32-12-29-30-31-32)20(26,27)17-6-3-13(9-28-17)2-1-7-34-11-19(23,24)25/h1-6,8-9,12,33H,7,10-11H2/b2-1+
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n/an/a 1.45E+5n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 μM by serial dilution with DMS...


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


(Homo sapiens (human))
BDBM198658
PNG
(US9221791, 4 | US9556143, 4)
Show SMILES CCOC(=O)\C=C\c1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Show InChI InChI=1S/C20H17F4N5O3/c1-2-32-18(30)8-4-13-3-7-17(25-10-13)20(23,24)19(31,11-29-12-26-27-28-29)15-6-5-14(21)9-16(15)22/h3-10,12,31H,2,11H2,1H3/b8-4+
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n/an/a 1.66E+5n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent




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