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Patent code US8883797

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 3A4


(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


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...


US Patent US8883797 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8JRF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



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...


US Patent US8883797 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8JRF
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM139227
PNG
(US8883797, 9)
Show SMILES OC(Cn1cnnc1)(c1ccc(F)cc1F)C(F)(F)c1ccc2cc(Br)ccc2n1
Show InChI InChI=1S/C20H13BrF4N4O/c21-13-2-5-17-12(7-13)1-6-18(28-17)20(24,25)19(30,9-29-10-26-27-11-29)15-4-3-14(22)8-16(15)23/h1-8,10-11,30H,9H2
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US Patent
n/an/a 1.10E+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...


US Patent US8883797 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8JRF
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM139227
PNG
(US8883797, 9)
Show SMILES OC(Cn1cnnc1)(c1ccc(F)cc1F)C(F)(F)c1ccc2cc(Br)ccc2n1
Show InChI InChI=1S/C20H13BrF4N4O/c21-13-2-5-17-12(7-13)1-6-18(28-17)20(24,25)19(30,9-29-10-26-27-11-29)15-4-3-14(22)8-16(15)23/h1-8,10-11,30H,9H2
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n/an/a 1.20E+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...


US Patent US8883797 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8JRF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM139227
PNG
(US8883797, 9)
Show SMILES OC(Cn1cnnc1)(c1ccc(F)cc1F)C(F)(F)c1ccc2cc(Br)ccc2n1
Show InChI InChI=1S/C20H13BrF4N4O/c21-13-2-5-17-12(7-13)1-6-18(28-17)20(24,25)19(30,9-29-10-26-27-11-29)15-4-3-14(22)8-16(15)23/h1-8,10-11,30H,9H2
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US Patent
n/an/a 1.30E+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...


US Patent US8883797 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8JRF
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50333117
PNG
((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Show SMILES C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r|
Show InChI InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
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n/an/a 1.30E+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...


US Patent US8883797 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8JRF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50333117
PNG
((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Show SMILES C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r|
Show InChI InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
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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...


US Patent US8883797 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8JRF
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50333117
PNG
((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Show SMILES C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r|
Show InChI InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
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n/an/a 1.50E+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...


US Patent US8883797 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8JRF
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...


US Patent US8883797 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8JRF
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM139228
PNG
(US8883797, 10)
Show SMILES OC(Cn1cnnc1)(c1ccc(F)cc1F)C(F)(F)c1cnc2cc(Cl)ccc2n1
Show InChI InChI=1S/C19H12ClF4N5O/c20-11-1-4-15-16(5-11)25-7-17(28-15)19(23,24)18(30,8-29-9-26-27-10-29)13-3-2-12(21)6-14(13)22/h1-7,9-10,30H,8H2
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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...


US Patent US8883797 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8JRF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM139228
PNG
(US8883797, 10)
Show SMILES OC(Cn1cnnc1)(c1ccc(F)cc1F)C(F)(F)c1cnc2cc(Cl)ccc2n1
Show InChI InChI=1S/C19H12ClF4N5O/c20-11-1-4-15-16(5-11)25-7-17(28-15)19(23,24)18(30,8-29-9-26-27-10-29)13-3-2-12(21)6-14(13)22/h1-7,9-10,30H,8H2
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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...


US Patent US8883797 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8JRF
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM139228
PNG
(US8883797, 10)
Show SMILES OC(Cn1cnnc1)(c1ccc(F)cc1F)C(F)(F)c1cnc2cc(Cl)ccc2n1
Show InChI InChI=1S/C19H12ClF4N5O/c20-11-1-4-15-16(5-11)25-7-17(28-15)19(23,24)18(30,8-29-9-26-27-10-29)13-3-2-12(21)6-14(13)22/h1-7,9-10,30H,8H2
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n/an/a 4.50E+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...


US Patent US8883797 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8JRF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%