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Patent code US9617267

Compile Data Set for Download or QSAR

Found 761 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
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM317021
PNG
(US9617267, Compound P-2009 | US9617267, Compound P...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C=O
Show InChI InChI=1S/C14H8F5NO3S/c15-11-5-6-12(13(16)10(11)7-21)20-24(22,23)9-3-1-8(2-4-9)14(17,18)19/h1-7,20H
PDB
MMDB

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n/an/a<100n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM317013
PNG
(US9617267, Compound P-2001 | US9617267, Compound P...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C=O)c1F
Show InChI InChI=1S/C10H11F2NO3S/c1-2-5-17(15,16)13-9-4-3-8(11)7(6-14)10(9)12/h3-4,6,13H,2,5H2,1H3
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM317021
PNG
(US9617267, Compound P-2009 | US9617267, Compound P...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C=O
Show InChI InChI=1S/C14H8F5NO3S/c15-11-5-6-12(13(16)10(11)7-21)20-24(22,23)9-3-1-8(2-4-9)14(17,18)19/h1-7,20H
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM317021
PNG
(US9617267, Compound P-2009 | US9617267, Compound P...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C=O
Show InChI InChI=1S/C14H8F5NO3S/c15-11-5-6-12(13(16)10(11)7-21)20-24(22,23)9-3-1-8(2-4-9)14(17,18)19/h1-7,20H
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (RAF-1)


(Homo sapiens (Human))
BDBM317013
PNG
(US9617267, Compound P-2001 | US9617267, Compound P...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C=O)c1F
Show InChI InChI=1S/C10H11F2NO3S/c1-2-5-17(15,16)13-9-4-3-8(11)7(6-14)10(9)12/h3-4,6,13H,2,5H2,1H3
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316951
PNG
(Propane-1-sulfonic acid [3- (4-ethoxy-7H-pyrrolo[2...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(COC)c23)c1F
Show InChI InChI=1S/C18H18F2N4O4S/c1-3-6-29(26,27)24-12-5-4-11(19)15(16(12)20)17(25)10-7-21-18-14(10)13(8-28-2)22-9-23-18/h4-5,7,9,24H,3,6,8H2,1-2H3,(H,21,22,23)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM316954
PNG
(N-[2,4-Difluoro-3-(4- methoxy-7H-pyrrolo[2,3- d]py...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(OC)c23)c1F
Show InChI InChI=1S/C23H20F2N4O4S/c1-3-4-13-5-7-14(8-6-13)34(31,32)29-17-10-9-16(24)19(20(17)25)21(30)15-11-26-22-18(15)23(33-2)28-12-27-22/h5-12,29H,3-4H2,1-2H3,(H,26,27,28)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316954
PNG
(N-[2,4-Difluoro-3-(4- methoxy-7H-pyrrolo[2,3- d]py...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(OC)c23)c1F
Show InChI InChI=1S/C23H20F2N4O4S/c1-3-4-13-5-7-14(8-6-13)34(31,32)29-17-10-9-16(24)19(20(17)25)21(30)15-11-26-22-18(15)23(33-2)28-12-27-22/h5-12,29H,3-4H2,1-2H3,(H,26,27,28)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316954
PNG
(N-[2,4-Difluoro-3-(4- methoxy-7H-pyrrolo[2,3- d]py...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(OC)c23)c1F
Show InChI InChI=1S/C23H20F2N4O4S/c1-3-4-13-5-7-14(8-6-13)34(31,32)29-17-10-9-16(24)19(20(17)25)21(30)15-11-26-22-18(15)23(33-2)28-12-27-22/h5-12,29H,3-4H2,1-2H3,(H,26,27,28)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316957
PNG
(N-[2,4-Difluoro-3-(4- methoxy-7H-pyrrolo[2,3- d]py...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(OC)c23)c1F
Show InChI InChI=1S/C22H18F2N4O4S/c1-3-12-4-6-13(7-5-12)33(30,31)28-16-9-8-15(23)18(19(16)24)20(29)14-10-25-21-17(14)22(32-2)27-11-26-21/h4-11,28H,3H2,1-2H3,(H,25,26,27)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316959
PNG
(N-[2,4-Difluoro-3-(4- methoxy-7H-pyrrolo[2,3- d]py...)
Show SMILES COc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(C)C)c3F)c12
Show InChI InChI=1S/C23H20F2N4O4S/c1-12(2)13-4-6-14(7-5-13)34(31,32)29-17-9-8-16(24)19(20(17)25)21(30)15-10-26-22-18(15)23(33-3)28-11-27-22/h4-12,29H,1-3H3,(H,26,27,28)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316960
PNG
(N-[3-(4-Cyclopropylamino- 7H-pyrrolo[2,3-d]pyrimid...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NC3CC3)c12
Show InChI InChI=1S/C23H16F5N5O3S/c24-15-7-8-16(33-37(35,36)13-5-1-11(2-6-13)23(26,27)28)19(25)18(15)20(34)14-9-29-21-17(14)22(31-10-30-21)32-12-3-4-12/h1-2,5-10,12,33H,3-4H2,(H2,29,30,31,32)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM316961
PNG
(N-[2,4-Difluoro-3-(4- hydroxy-7H-pyrrolo[2,3- d]py...)
Show SMILES Oc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C20H11F5N4O4S/c21-12-5-6-13(29-34(32,33)10-3-1-9(2-4-10)20(23,24)25)16(22)15(12)17(30)11-7-26-18-14(11)19(31)28-8-27-18/h1-8,29H,(H2,26,27,28,31)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316964
PNG
(N-[2,4-Difluoro-3-(4- isobutyl-7H-pyrrolo[2,3- d]p...)
Show SMILES CC(C)Cc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C24H19F5N4O3S/c1-12(2)9-18-19-15(10-30-23(19)32-11-31-18)22(34)20-16(25)7-8-17(21(20)26)33-37(35,36)14-5-3-13(4-6-14)24(27,28)29/h3-8,10-12,33H,9H2,1-2H3,(H,30,31,32)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316965
PNG
(N-[3-(4-Chloro-7H- pyrrolo[2,3-d]pyrimidine-5- car...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(Cl)c12
Show InChI InChI=1S/C20H10ClF5N4O3S/c21-18-14-11(7-27-19(14)29-8-28-18)17(31)15-12(22)5-6-13(16(15)23)30-34(32,33)10-3-1-9(2-4-10)20(24,25)26/h1-8,30H,(H,27,28,29)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM316969
PNG
(N-[2,4-Difluoro-3-(4- isobutylamino-7H- pyrrolo[2,...)
Show SMILES CC(C)CNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C24H20F5N5O3S/c1-12(2)9-30-22-18-15(10-31-23(18)33-11-32-22)21(35)19-16(25)7-8-17(20(19)26)34-38(36,37)14-5-3-13(4-6-14)24(27,28)29/h3-8,10-12,34H,9H2,1-2H3,(H2,30,31,32,33)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316979
PNG
(N-[2,4-Difluoro-3-(4- hydroxy-7H-pyrrolo[2,3- d]py...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(O)c23)c1F
Show InChI InChI=1S/C22H18F2N4O4S/c1-2-3-12-4-6-13(7-5-12)33(31,32)28-16-9-8-15(23)18(19(16)24)20(29)14-10-25-21-17(14)22(30)27-11-26-21/h4-11,28H,2-3H2,1H3,(H2,25,26,27,30)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316980
PNG
(N-[3-(4-Amino-7H- pyrrolo[2,3-d]pyrimidine-5- carb...)
Show SMILES Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C20H12F5N5O3S/c21-12-5-6-13(30-34(32,33)10-3-1-9(2-4-10)20(23,24)25)16(22)15(12)17(31)11-7-27-19-14(11)18(26)28-8-29-19/h1-8,30H,(H3,26,27,28,29)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316981
PNG
(N-[2,4-Difluoro-3-(4- propylamino-7H-pyrrolo[2,3- ...)
Show SMILES CCCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C23H18F5N5O3S/c1-2-9-29-21-17-14(10-30-22(17)32-11-31-21)20(34)18-15(24)7-8-16(19(18)25)33-37(35,36)13-5-3-12(4-6-13)23(26,27)28/h3-8,10-11,33H,2,9H2,1H3,(H2,29,30,31,32)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316982
PNG
(Propane-1-sulfonic acid [3- (4-chloro-7H-pyrrolo[2...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Cl)c23)c1F
Show InChI InChI=1S/C16H13ClF2N4O3S/c1-2-5-27(25,26)23-10-4-3-9(18)12(13(10)19)14(24)8-6-20-16-11(8)15(17)21-7-22-16/h3-4,6-7,23H,2,5H2,1H3,(H,20,21,22)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM316982
PNG
(Propane-1-sulfonic acid [3- (4-chloro-7H-pyrrolo[2...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Cl)c23)c1F
Show InChI InChI=1S/C16H13ClF2N4O3S/c1-2-5-27(25,26)23-10-4-3-9(18)12(13(10)19)14(24)8-6-20-16-11(8)15(17)21-7-22-16/h3-4,6-7,23H,2,5H2,1H3,(H,20,21,22)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316983
PNG
(N-[3-(4-Chloro-7H- pyrrolo[2,3-d]pyrimidine-5- car...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Cl)c23)c1F
Show InChI InChI=1S/C22H17ClF2N4O3S/c1-2-3-12-4-6-13(7-5-12)33(31,32)29-16-9-8-15(24)18(19(16)25)20(30)14-10-26-22-17(14)21(23)27-11-28-22/h4-11,29H,2-3H2,1H3,(H,26,27,28)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM316983
PNG
(N-[3-(4-Chloro-7H- pyrrolo[2,3-d]pyrimidine-5- car...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Cl)c23)c1F
Show InChI InChI=1S/C22H17ClF2N4O3S/c1-2-3-12-4-6-13(7-5-12)33(31,32)29-16-9-8-15(24)18(19(16)25)20(30)14-10-26-22-17(14)21(23)27-11-28-22/h4-11,29H,2-3H2,1H3,(H,26,27,28)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316984
PNG
(N-[3-(4-Cyclopentylamino- 7H-pyrrolo[2,3-d]pyrimid...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NC3CCCC3)c12
Show InChI InChI=1S/C25H20F5N5O3S/c26-17-9-10-18(35-39(37,38)15-7-5-13(6-8-15)25(28,29)30)21(27)20(17)22(36)16-11-31-23-19(16)24(33-12-32-23)34-14-3-1-2-4-14/h5-12,14,35H,1-4H2,(H2,31,32,33,34)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316986
PNG
(N-[2,4-Difluoro-3-(4- phenylamino-7H-pyrrolo[2,3- ...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(Nc3ccccc3)c12
Show InChI InChI=1S/C26H16F5N5O3S/c27-18-10-11-19(36-40(38,39)16-8-6-14(7-9-16)26(29,30)31)22(28)21(18)23(37)17-12-32-24-20(17)25(34-13-33-24)35-15-4-2-1-3-5-15/h1-13,36H,(H2,32,33,34,35)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM316988
PNG
(N-[2,4-Difluoro-3-(4- isopropylamino-7H- pyrrolo[2...)
Show SMILES CC(C)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C23H18F5N5O3S/c1-11(2)32-22-17-14(9-29-21(17)30-10-31-22)20(34)18-15(24)7-8-16(19(18)25)33-37(35,36)13-5-3-12(4-6-13)23(26,27)28/h3-11,33H,1-2H3,(H2,29,30,31,32)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316988
PNG
(N-[2,4-Difluoro-3-(4- isopropylamino-7H- pyrrolo[2...)
Show SMILES CC(C)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C23H18F5N5O3S/c1-11(2)32-22-17-14(9-29-21(17)30-10-31-22)20(34)18-15(24)7-8-16(19(18)25)33-37(35,36)13-5-3-12(4-6-13)23(26,27)28/h3-11,33H,1-2H3,(H2,29,30,31,32)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM316990
PNG
(Propane-1-sulfonic acid [3- (4-cyclopropylamino-7H...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CC4)c23)c1F
Show InChI InChI=1S/C19H19F2N5O3S/c1-2-7-30(28,29)26-13-6-5-12(20)15(16(13)21)17(27)11-8-22-18-14(11)19(24-9-23-18)25-10-3-4-10/h5-6,8-10,26H,2-4,7H2,1H3,(H2,22,23,24,25)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316991
PNG
(N-[2,4-Difluoro-3-(4- isopropylamino-7H- pyrrolo[2...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC(C)C)c23)c1F
Show InChI InChI=1S/C24H23F2N5O3S/c1-4-14-5-7-15(8-6-14)35(33,34)31-18-10-9-17(25)20(21(18)26)22(32)16-11-27-23-19(16)24(29-12-28-23)30-13(2)3/h5-13,31H,4H2,1-3H3,(H2,27,28,29,30)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM316992
PNG
(N-{2,4-Difluoro-3-[4-(2- hydroxy-ethylamino)-7H- p...)
Show SMILES OCCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C22H16F5N5O4S/c23-14-5-6-15(32-37(35,36)12-3-1-11(2-4-12)22(25,26)27)18(24)17(14)19(34)13-9-29-21-16(13)20(28-7-8-33)30-10-31-21/h1-6,9-10,32-33H,7-8H2,(H2,28,29,30,31)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317000
PNG
(Propane-1-sulfonic acid [2,4- difluoro-3-(4- isopr...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC(C)C)c23)c1F
Show InChI InChI=1S/C19H21F2N5O3S/c1-4-7-30(28,29)26-13-6-5-12(20)15(16(13)21)17(27)11-8-22-18-14(11)19(24-9-23-18)25-10(2)3/h5-6,8-10,26H,4,7H2,1-3H3,(H2,22,23,24,25)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317002
PNG
(N-[3-(4- Cyclopropylmethoxy-7H- pyrrolo[2,3-d]pyri...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(OCC3CC3)c12
Show InChI InChI=1S/C24H17F5N4O4S/c25-16-7-8-17(33-38(35,36)14-5-3-13(4-6-14)24(27,28)29)20(26)19(16)21(34)15-9-30-22-18(15)23(32-11-31-22)37-10-12-1-2-12/h3-9,11-12,33H,1-2,10H2,(H,30,31,32)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317002
PNG
(N-[3-(4- Cyclopropylmethoxy-7H- pyrrolo[2,3-d]pyri...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(OCC3CC3)c12
Show InChI InChI=1S/C24H17F5N4O4S/c25-16-7-8-17(33-38(35,36)14-5-3-13(4-6-14)24(27,28)29)20(26)19(16)21(34)15-9-30-22-18(15)23(32-11-31-22)37-10-12-1-2-12/h3-9,11-12,33H,1-2,10H2,(H,30,31,32)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317004
PNG
(N-[2,4-Difluoro-3-(4- isopropylamino-7H- pyrrolo[2...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC(C)C)c23)c1F
Show InChI InChI=1S/C25H25F2N5O3S/c1-4-5-15-6-8-16(9-7-15)36(34,35)32-19-11-10-18(26)21(22(19)27)23(33)17-12-28-24-20(17)25(30-13-29-24)31-14(2)3/h6-14,32H,4-5H2,1-3H3,(H2,28,29,30,31)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317004
PNG
(N-[2,4-Difluoro-3-(4- isopropylamino-7H- pyrrolo[2...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC(C)C)c23)c1F
Show InChI InChI=1S/C25H25F2N5O3S/c1-4-5-15-6-8-16(9-7-15)36(34,35)32-19-11-10-18(26)21(22(19)27)23(33)17-12-28-24-20(17)25(30-13-29-24)31-14(2)3/h6-14,32H,4-5H2,1-3H3,(H2,28,29,30,31)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM317006
PNG
(N-{2,4-Difluoro-3-[4-(1- methyl-piperidin-4-ylamin...)
Show SMILES CN1CCC(CC1)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C26H23F5N6O3S/c1-37-10-8-15(9-11-37)35-25-20-17(12-32-24(20)33-13-34-25)23(38)21-18(27)6-7-19(22(21)28)36-41(39,40)16-4-2-14(3-5-16)26(29,30)31/h2-7,12-13,15,36H,8-11H2,1H3,(H2,32,33,34,35)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317006
PNG
(N-{2,4-Difluoro-3-[4-(1- methyl-piperidin-4-ylamin...)
Show SMILES CN1CCC(CC1)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C26H23F5N6O3S/c1-37-10-8-15(9-11-37)35-25-20-17(12-32-24(20)33-13-34-25)23(38)21-18(27)6-7-19(22(21)28)36-41(39,40)16-4-2-14(3-5-16)26(29,30)31/h2-7,12-13,15,36H,8-11H2,1H3,(H2,32,33,34,35)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317008
PNG
(N-{3-[4-(2-Dimethylamino- ethylamino)-7H-pyrrolo[2...)
Show SMILES CN(C)CCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C24H21F5N6O3S/c1-35(2)10-9-30-22-18-15(11-31-23(18)33-12-32-22)21(36)19-16(25)7-8-17(20(19)26)34-39(37,38)14-5-3-13(4-6-14)24(27,28)29/h3-8,11-12,34H,9-10H2,1-2H3,(H2,30,31,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317009
PNG
(Propane-1-sulfonic acid {2,4- difluoro-3-[4-(oxeta...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4COC4)c23)c1F
Show InChI InChI=1S/C19H19F2N5O4S/c1-2-5-31(28,29)26-13-4-3-12(20)15(16(13)21)17(27)11-6-22-18-14(11)19(24-9-23-18)25-10-7-30-8-10/h3-4,6,9-10,26H,2,5,7-8H2,1H3,(H2,22,23,24,25)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317011
PNG
(N-{2,4-Difluoro-3-[4-(1- methyl-1H-pyrazol-4- ylam...)
Show SMILES Cn1cc(Nc2ncnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5ccc(cc5)C(F)(F)F)c4F)c23)cn1
Show InChI InChI=1S/C24H16F5N7O3S/c1-36-10-13(8-33-36)34-23-18-15(9-30-22(18)31-11-32-23)21(37)19-16(25)6-7-17(20(19)26)35-40(38,39)14-4-2-12(3-5-14)24(27,28)29/h2-11,35H,1H3,(H2,30,31,32,34)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317012
PNG
(N-{3-[4-(1-Ethyl-1H-pyrazol- 4-ylamino)-7H-pyrrolo...)
Show SMILES CCn1cc(Nc2ncnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5ccc(cc5)C(F)(F)F)c4F)c23)cn1
Show InChI InChI=1S/C25H18F5N7O3S/c1-2-37-11-14(9-34-37)35-24-19-16(10-31-23(19)32-12-33-24)22(38)20-17(26)7-8-18(21(20)27)36-41(39,40)15-5-3-13(4-6-15)25(28,29)30/h3-12,36H,2H2,1H3,(H2,31,32,33,35)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317012
PNG
(N-{3-[4-(1-Ethyl-1H-pyrazol- 4-ylamino)-7H-pyrrolo...)
Show SMILES CCn1cc(Nc2ncnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5ccc(cc5)C(F)(F)F)c4F)c23)cn1
Show InChI InChI=1S/C25H18F5N7O3S/c1-2-37-11-14(9-34-37)35-24-19-16(10-31-23(19)32-12-33-24)22(38)20-17(26)7-8-18(21(20)27)36-41(39,40)15-5-3-13(4-6-15)25(28,29)30/h3-12,36H,2H2,1H3,(H2,31,32,33,35)
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n/an/a<5.00E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317033
PNG
(Propane-1-sulfonic acid {2,4- difluoro-3-[4-(pyrid...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4cccnc4)c23)c1F
Show InChI InChI=1S/C21H18F2N6O3S/c1-2-8-33(31,32)29-15-6-5-14(22)17(18(15)23)19(30)13-10-25-20-16(13)21(27-11-26-20)28-12-4-3-7-24-9-12/h3-7,9-11,29H,2,8H2,1H3,(H2,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317033
PNG
(Propane-1-sulfonic acid {2,4- difluoro-3-[4-(pyrid...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4cccnc4)c23)c1F
Show InChI InChI=1S/C21H18F2N6O3S/c1-2-8-33(31,32)29-15-6-5-14(22)17(18(15)23)19(30)13-10-25-20-16(13)21(27-11-26-20)28-12-4-3-7-24-9-12/h3-7,9-11,29H,2,8H2,1H3,(H2,25,26,27,28)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317037
PNG
(Propane-1-sulfonic acid {3- [4-(1,3-dimethyl-1H-py...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4cn(C)nc4C)c23)c1F
Show InChI InChI=1S/C21H21F2N7O3S/c1-4-7-34(32,33)29-14-6-5-13(22)17(18(14)23)19(31)12-8-24-20-16(12)21(26-10-25-20)27-15-9-30(3)28-11(15)2/h5-6,8-10,29H,4,7H2,1-3H3,(H2,24,25,26,27)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317038
PNG
(Propane-1-sulfonic acid {2,4- difluoro-3-[4-(2-flu...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccc(OC)cc4F)c23)c1F
Show InChI InChI=1S/C23H20F3N5O4S/c1-3-8-36(33,34)31-17-7-5-14(24)19(20(17)26)21(32)13-10-27-22-18(13)23(29-11-28-22)30-16-6-4-12(35-2)9-15(16)25/h4-7,9-11,31H,3,8H2,1-2H3,(H2,27,28,29,30)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317039
PNG
(N-[3-(4-Cyclopropylamino- 7H-pyrrolo[2,3-d]pyrimid...)
Show SMILES Fc1ccccc1S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CC4)c23)c1F
Show InChI InChI=1S/C22H16F3N5O3S/c23-13-3-1-2-4-16(13)34(32,33)30-15-8-7-14(24)18(19(15)25)20(31)12-9-26-21-17(12)22(28-10-27-21)29-11-5-6-11/h1-4,7-11,30H,5-6H2,(H2,26,27,28,29)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317040
PNG
(N-[3-(4-Cyclopropylamino- 7H-pyrrolo[2,3-d]pyrimid...)
Show SMILES Fc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CC4)c23)c1F
Show InChI InChI=1S/C22H15F4N5O3S/c23-10-1-4-13(24)16(7-10)35(33,34)31-15-6-5-14(25)18(19(15)26)20(32)12-8-27-21-17(12)22(29-9-28-21)30-11-2-3-11/h1,4-9,11,31H,2-3H2,(H2,27,28,29,30)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317040
PNG
(N-[3-(4-Cyclopropylamino- 7H-pyrrolo[2,3-d]pyrimid...)
Show SMILES Fc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CC4)c23)c1F
Show InChI InChI=1S/C22H15F4N5O3S/c23-10-1-4-13(24)16(7-10)35(33,34)31-15-6-5-14(25)18(19(15)26)20(32)12-8-27-21-17(12)22(29-9-28-21)30-11-2-3-11/h1,4-9,11,31H,2-3H2,(H2,27,28,29,30)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

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


(Homo sapiens (Human))
BDBM317041
PNG
(N-[3-(4-Cyclopropyl-7H- pyrrolo[2,3-d]pyrimidine-5...)
Show SMILES Fc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C4CC4)c23)c1F
Show InChI InChI=1S/C22H14F4N4O3S/c23-11-3-4-13(24)16(7-11)34(32,33)30-15-6-5-14(25)18(19(15)26)21(31)12-8-27-22-17(12)20(10-1-2-10)28-9-29-22/h3-10,30H,1-2H2,(H,27,28,29)
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Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
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