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Patent code US9636339

Compile Data Set for Download or QSAR
Found 64 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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325754
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES CCCNC(=O)CC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C20H20F4N2O/c1-2-7-26-19(27)9-13-3-5-14-15(10-25-11-16(13)14)12-4-6-17(18(21)8-12)20(22,23)24/h4,6,8,10-11,13H,2-3,5,7,9H2,1H3,(H,26,27)
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n/an/an/an/a 21n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325781
PNG
((rac)-N-Cyclopropyl-2-[4-[2-fluoro-4-(trifluoromet...)
Show SMILES Fc1cc(ccc1-c1cncc2C(CC(=O)NC3CC3)CCCc12)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O/c22-19-9-13(21(23,24)25)4-7-16(19)18-11-26-10-17-12(2-1-3-15(17)18)8-20(28)27-14-5-6-14/h4,7,9-12,14H,1-3,5-6,8H2,(H,27,28)
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n/an/an/an/a 37n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325763
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES CN(C)C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C19H18F4N2O/c1-25(2)18(26)7-11-3-5-13-15(11)9-24-10-16(13)14-6-4-12(8-17(14)20)19(21,22)23/h4,6,8-11H,3,5,7H2,1-2H3
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n/an/an/an/a 67n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325768
PNG
((rac)-1-(Azetidin-1-yl)-2-[4-[2-fluoro-4-(trifluor...)
Show SMILES Fc1cc(ccc1-c1cncc2C(CC(=O)N3CCC3)CCc12)C(F)(F)F
Show InChI InChI=1S/C20H18F4N2O/c21-18-9-13(20(22,23)24)3-5-15(18)17-11-25-10-16-12(2-4-14(16)17)8-19(27)26-6-1-7-26/h3,5,9-12H,1-2,4,6-8H2
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n/an/an/an/a 48n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325769
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES OCC1CN(C1)C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O2/c22-19-6-14(21(23,24)25)2-4-16(19)18-8-26-7-17-13(1-3-15(17)18)5-20(29)27-9-12(10-27)11-28/h2,4,6-8,12-13,28H,1,3,5,9-11H2
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n/an/an/an/a 45n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325774
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5,...)
Show SMILES OCCC1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C18H17F4NO/c19-17-8-12(18(20,21)22)4-5-14(17)16-10-23-9-15-11(6-7-24)2-1-3-13(15)16/h4-5,8-11,24H,1-3,6-7H2
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n/an/an/an/a 5n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325778
PNG
( (+)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5,6...)
Show SMILES CN(C)C(=O)CC1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H20F4N2O/c1-26(2)19(27)8-12-4-3-5-14-16(12)10-25-11-17(14)15-7-6-13(9-18(15)21)20(22,23)24/h6-7,9-12H,3-5,8H2,1-2H3
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n/an/an/an/a 36n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325779
PNG
((-)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5,6,...)
Show SMILES CN(C)C(=O)CC1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H20F4N2O/c1-26(2)19(27)8-12-4-3-5-14-16(12)10-25-11-17(14)15-7-6-13(9-18(15)21)20(22,23)24/h6-7,9-12H,3-5,8H2,1-2H3
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n/an/an/an/a 9.11E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325779
PNG
((-)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5,6,...)
Show SMILES CN(C)C(=O)CC1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H20F4N2O/c1-26(2)19(27)8-12-4-3-5-14-16(12)10-25-11-17(14)15-7-6-13(9-18(15)21)20(22,23)24/h6-7,9-12H,3-5,8H2,1-2H3
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n/an/an/an/a 133n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325781
PNG
((rac)-N-Cyclopropyl-2-[4-[2-fluoro-4-(trifluoromet...)
Show SMILES Fc1cc(ccc1-c1cncc2C(CC(=O)NC3CC3)CCCc12)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O/c22-19-9-13(21(23,24)25)4-7-16(19)18-11-26-10-17-12(2-1-3-15(17)18)8-20(28)27-14-5-6-14/h4,7,9-12,14H,1-3,5-6,8H2,(H,27,28)
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n/an/an/an/a 448n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325782
PNG
((rac)-N-(Cyclopropylmethyl)-2-[4-[2-fluoro-4-(trif...)
Show SMILES Fc1cc(ccc1-c1cncc2C(CC(=O)NCC3CC3)CCCc12)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O/c23-20-9-15(22(24,25)26)6-7-17(20)19-12-27-11-18-14(2-1-3-16(18)19)8-21(29)28-10-13-4-5-13/h6-7,9,11-14H,1-5,8,10H2,(H,28,29)
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n/an/an/an/a 71n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325757
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES COCCNC(=O)CC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C20H20F4N2O2/c1-28-7-6-26-19(27)9-13-2-4-14-15(10-25-11-16(13)14)12-3-5-17(18(21)8-12)20(22,23)24/h3,5,8,10-11,13H,2,4,6-7,9H2,1H3,(H,26,27)
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n/an/an/an/a 32n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325758
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2C(CC(=O)N3CCCCC3)CCc12
Show InChI InChI=1S/C22H22F4N2O/c23-20-10-14(5-7-19(20)22(24,25)26)17-12-27-13-18-15(4-6-16(17)18)11-21(29)28-8-2-1-3-9-28/h5,7,10,12-13,15H,1-4,6,8-9,11H2
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n/an/an/an/a 2n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325766
PNG
((rac)-N-Cyclopropyl-2-[4-[2-fluoro-4-(trifluoromet...)
Show SMILES CN(C1CC1)C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O/c1-27(14-4-5-14)20(28)8-12-2-6-15-17(12)10-26-11-18(15)16-7-3-13(9-19(16)22)21(23,24)25/h3,7,9-12,14H,2,4-6,8H2,1H3
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n/an/an/an/a 211n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325766
PNG
((rac)-N-Cyclopropyl-2-[4-[2-fluoro-4-(trifluoromet...)
Show SMILES CN(C1CC1)C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O/c1-27(14-4-5-14)20(28)8-12-2-6-15-17(12)10-26-11-18(15)16-7-3-13(9-19(16)22)21(23,24)25/h3,7,9-12,14H,2,4-6,8H2,1H3
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n/an/an/an/a 6n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325767
PNG
((rac)-N-Cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trif...)
Show SMILES CCN(C1CC1)C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O/c1-2-28(15-5-6-15)21(29)9-13-3-7-16-18(13)11-27-12-19(16)17-8-4-14(10-20(17)23)22(24,25)26/h4,8,10-13,15H,2-3,5-7,9H2,1H3
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n/an/an/an/a 745n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325772
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES C[C@H]1CCCN1C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O/c1-13-3-2-8-28(13)21(29)9-14-4-6-16-18(14)11-27-12-19(16)17-7-5-15(10-20(17)23)22(24,25)26/h5,7,10-14H,2-4,6,8-9H2,1H3/t13-,14?/m0/s1
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n/an/an/an/a 278n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325772
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES C[C@H]1CCCN1C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O/c1-13-3-2-8-28(13)21(29)9-14-4-6-16-18(14)11-27-12-19(16)17-7-5-15(10-20(17)23)22(24,25)26/h5,7,10-14H,2-4,6,8-9H2,1H3/t13-,14?/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325776
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5,...)
Show SMILES CN(C)C(=O)CC1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H20F4N2O/c1-26(2)19(27)8-12-4-3-5-14-16(12)10-25-11-17(14)15-7-6-13(9-18(15)21)20(22,23)24/h6-7,9-12H,3-5,8H2,1-2H3
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n/an/an/an/a 32n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325756
PNG
((rac)-N-(Cyclopropylmethyl)-2-[4-[3-fluoro-4-(trif...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2C(CC(=O)NCC3CC3)CCc12
Show InChI InChI=1S/C21H20F4N2O/c22-19-7-13(4-6-18(19)21(23,24)25)16-10-26-11-17-14(3-5-15(16)17)8-20(28)27-9-12-1-2-12/h4,6-7,10-12,14H,1-3,5,8-9H2,(H,27,28)
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n/an/an/an/a 331n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325756
PNG
((rac)-N-(Cyclopropylmethyl)-2-[4-[3-fluoro-4-(trif...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2C(CC(=O)NCC3CC3)CCc12
Show InChI InChI=1S/C21H20F4N2O/c22-19-7-13(4-6-18(19)21(23,24)25)16-10-26-11-17-14(3-5-15(16)17)8-20(28)27-9-12-1-2-12/h4,6-7,10-12,14H,1-3,5,8-9H2,(H,27,28)
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n/an/an/an/a 24n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325758
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2C(CC(=O)N3CCCCC3)CCc12
Show InChI InChI=1S/C22H22F4N2O/c23-20-10-14(5-7-19(20)22(24,25)26)17-12-27-13-18-15(4-6-16(17)18)11-21(29)28-8-2-1-3-9-28/h5,7,10,12-13,15H,1-4,6,8-9,11H2
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n/an/an/an/a 10n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325763
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES CN(C)C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C19H18F4N2O/c1-25(2)18(26)7-11-3-5-13-15(11)9-24-10-16(13)14-6-4-12(8-17(14)20)19(21,22)23/h4,6,8-11H,3,5,7H2,1-2H3
PDB

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n/an/an/an/a 9.38E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325753
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES CCNC(=O)CC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C19H18F4N2O/c1-2-25-18(26)8-12-3-5-13-14(9-24-10-15(12)13)11-4-6-16(17(20)7-11)19(21,22)23/h4,6-7,9-10,12H,2-3,5,8H2,1H3,(H,25,26)
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n/an/an/an/a 13n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325757
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES COCCNC(=O)CC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C20H20F4N2O2/c1-28-7-6-26-19(27)9-13-2-4-14-15(10-25-11-16(13)14)12-3-5-17(18(21)8-12)20(22,23)24/h3,5,8,10-11,13H,2,4,6-7,9H2,1H3,(H,26,27)
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n/an/an/an/a 582n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325760
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2C(CC(=O)Nc3ccon3)CCc12
Show InChI InChI=1S/C20H15F4N3O2/c21-17-7-11(2-4-16(17)20(22,23)24)14-9-25-10-15-12(1-3-13(14)15)8-19(28)26-18-5-6-29-27-18/h2,4-7,9-10,12H,1,3,8H2,(H,26,27,28)
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n/an/an/an/a 180n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325762
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES Cn1cc(NC(=O)CC2CCc3c2cncc3-c2ccc(c(F)c2)C(F)(F)F)cn1
Show InChI InChI=1S/C21H18F4N4O/c1-29-11-14(8-27-29)28-20(30)7-13-2-4-15-16(9-26-10-17(13)15)12-3-5-18(19(22)6-12)21(23,24)25/h3,5-6,8-11,13H,2,4,7H2,1H3,(H,28,30)
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n/an/an/an/a 10n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325769
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES OCC1CN(C1)C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O2/c22-19-6-14(21(23,24)25)2-4-16(19)18-8-26-7-17-13(1-3-15(17)18)5-20(29)27-9-12(10-27)11-28/h2,4,6-8,12-13,28H,1,3,5,9-11H2
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n/an/an/an/a 1.16E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325770
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES COC1CN(C1)C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O2/c1-29-14-10-27(11-14)20(28)6-12-2-4-15-17(12)8-26-9-18(15)16-5-3-13(7-19(16)22)21(23,24)25/h3,5,7-9,12,14H,2,4,6,10-11H2,1H3
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n/an/an/an/a 1.49E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325770
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES COC1CN(C1)C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O2/c1-29-14-10-27(11-14)20(28)6-12-2-4-15-17(12)8-26-9-18(15)16-5-3-13(7-19(16)22)21(23,24)25/h3,5,7-9,12,14H,2,4,6,10-11H2,1H3
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n/an/an/an/a 53n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325776
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5,...)
Show SMILES CN(C)C(=O)CC1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H20F4N2O/c1-26(2)19(27)8-12-4-3-5-14-16(12)10-25-11-17(14)15-7-6-13(9-18(15)21)20(22,23)24/h6-7,9-12H,3-5,8H2,1-2H3
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n/an/an/an/a 3.08E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325778
PNG
( (+)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5,6...)
Show SMILES CN(C)C(=O)CC1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H20F4N2O/c1-26(2)19(27)8-12-4-3-5-14-16(12)10-25-11-17(14)15-7-6-13(9-18(15)21)20(22,23)24/h6-7,9-12H,3-5,8H2,1-2H3
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n/an/an/an/a 1.49E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325780
PNG
((rac)-N-Ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)ph...)
Show SMILES CCNC(=O)CC1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H20F4N2O/c1-2-26-19(27)8-12-4-3-5-14-16(12)10-25-11-17(14)15-7-6-13(9-18(15)21)20(22,23)24/h6-7,9-12H,2-5,8H2,1H3,(H,26,27)
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n/an/an/an/a 212n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325783
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5,...)
Show SMILES COCCNC(=O)CC1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O2/c1-29-8-7-27-20(28)9-13-3-2-4-15-17(13)11-26-12-18(15)16-6-5-14(10-19(16)22)21(23,24)25/h5-6,10-13H,2-4,7-9H2,1H3,(H,27,28)
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n/an/an/an/a 222n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325755
PNG
((rac)-N-Cyclopropyl-2-[4-[3-fluoro-4-(trifluoromet...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2C(CC(=O)NC3CC3)CCc12
Show InChI InChI=1S/C20H18F4N2O/c21-18-7-11(2-6-17(18)20(22,23)24)15-9-25-10-16-12(1-5-14(15)16)8-19(27)26-13-3-4-13/h2,6-7,9-10,12-13H,1,3-5,8H2,(H,26,27)
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n/an/an/an/a 217n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325759
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2C(CC(=O)N3CCOCC3)CCc12
Show InChI InChI=1S/C21H20F4N2O2/c22-19-9-13(2-4-18(19)21(23,24)25)16-11-26-12-17-14(1-3-15(16)17)10-20(28)27-5-7-29-8-6-27/h2,4,9,11-12,14H,1,3,5-8,10H2
PDB

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n/an/an/an/a 152n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325762
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES Cn1cc(NC(=O)CC2CCc3c2cncc3-c2ccc(c(F)c2)C(F)(F)F)cn1
Show InChI InChI=1S/C21H18F4N4O/c1-29-11-14(8-27-29)28-20(30)7-13-2-4-15-16(9-26-10-17(13)15)12-3-5-18(19(22)6-12)21(23,24)25/h3,5-6,8-11,13H,2,4,7H2,1H3,(H,28,30)
PDB

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n/an/an/an/a 194n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325768
PNG
((rac)-1-(Azetidin-1-yl)-2-[4-[2-fluoro-4-(trifluor...)
Show SMILES Fc1cc(ccc1-c1cncc2C(CC(=O)N3CCC3)CCc12)C(F)(F)F
Show InChI InChI=1S/C20H18F4N2O/c21-18-9-13(20(22,23)24)3-5-15(18)17-11-25-10-16-12(2-4-14(16)17)8-19(27)26-6-1-7-26/h3,5,9-12H,1-2,4,6-8H2
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n/an/an/an/a 2.68E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325775
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5,...)
Show SMILES CNC(=O)CC1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C19H18F4N2O/c1-24-18(26)7-11-3-2-4-13-15(11)9-25-10-16(13)14-6-5-12(8-17(14)20)19(21,22)23/h5-6,8-11H,2-4,7H2,1H3,(H,24,26)
PDB

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n/an/an/an/a 1.04E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325775
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5,...)
Show SMILES CNC(=O)CC1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C19H18F4N2O/c1-24-18(26)7-11-3-2-4-13-15(11)9-25-10-16(13)14-6-5-12(8-17(14)20)19(21,22)23/h5-6,8-11H,2-4,7H2,1H3,(H,24,26)
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n/an/an/an/a 11n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325752
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES CNC(=O)CC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C18H16F4N2O/c1-23-17(25)7-11-2-4-12-13(8-24-9-14(11)12)10-3-5-15(16(19)6-10)18(20,21)22/h3,5-6,8-9,11H,2,4,7H2,1H3,(H,23,25)
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n/an/an/an/a 17n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325753
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES CCNC(=O)CC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C19H18F4N2O/c1-2-25-18(26)8-12-3-5-13-14(9-24-10-15(12)13)11-4-6-16(17(20)7-11)19(21,22)23/h4,6-7,9-10,12H,2-3,5,8H2,1H3,(H,25,26)
PDB

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n/an/an/an/a 69n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325760
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2C(CC(=O)Nc3ccon3)CCc12
Show InChI InChI=1S/C20H15F4N3O2/c21-17-7-11(2-4-16(17)20(22,23)24)14-9-25-10-15-12(1-3-13(14)15)8-19(28)26-18-5-6-29-27-18/h2,4-7,9-10,12H,1,3,8H2,(H,26,27,28)
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n/an/an/an/a 17n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325761
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2C(CC(=O)Nc3cc[nH]n3)CCc12
Show InChI InChI=1S/C20H16F4N4O/c21-17-7-11(2-4-16(17)20(22,23)24)14-9-25-10-15-12(1-3-13(14)15)8-19(29)27-18-5-6-26-28-18/h2,4-7,9-10,12H,1,3,8H2,(H2,26,27,28,29)
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n/an/an/an/a 8n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325764
PNG
((rac)-N-Ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)ph...)
Show SMILES CCN(C)C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H20F4N2O/c1-3-26(2)19(27)8-12-4-6-14-16(12)10-25-11-17(14)15-7-5-13(9-18(15)21)20(22,23)24/h5,7,9-12H,3-4,6,8H2,1-2H3
PDB

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n/an/an/an/a 2.12E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325767
PNG
((rac)-N-Cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trif...)
Show SMILES CCN(C1CC1)C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O/c1-2-28(15-5-6-15)21(29)9-13-3-7-16-18(13)11-27-12-19(16)17-8-4-14(10-20(17)23)22(24,25)26/h4,8,10-13,15H,2-3,5-7,9H2,1H3
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n/an/an/an/a 29n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325771
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES Fc1cc(ccc1-c1cncc2C(CC(=O)N3CCCC3)CCc12)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O/c22-19-10-14(21(23,24)25)4-6-16(19)18-12-26-11-17-13(3-5-15(17)18)9-20(28)27-7-1-2-8-27/h4,6,10-13H,1-3,5,7-9H2
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n/an/an/an/a 12n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325773
PNG
((rac)-Ethyl 2-[4-[2-fluoro-4-(trifluoromethyl)phen...)
Show SMILES CCOC(=O)CC1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H19F4NO2/c1-2-27-19(26)8-12-4-3-5-14-16(12)10-25-11-17(14)15-7-6-13(9-18(15)21)20(22,23)24/h6-7,9-12H,2-5,8H2,1H3
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n/an/an/an/a 1.90E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325780
PNG
((rac)-N-Ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)ph...)
Show SMILES CCNC(=O)CC1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H20F4N2O/c1-2-26-19(27)8-12-4-3-5-14-16(12)10-25-11-17(14)15-7-6-13(9-18(15)21)20(22,23)24/h6-7,9-12H,2-5,8H2,1H3,(H,26,27)
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n/an/an/an/a 4.08E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325783
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5,...)
Show SMILES COCCNC(=O)CC1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O2/c1-29-8-7-27-20(28)9-13-3-2-4-15-17(13)11-26-12-18(15)16-6-5-14(10-19(16)22)21(23,24)25/h5-6,10-13H,2-4,7-9H2,1H3,(H,27,28)
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n/an/an/an/a 5.06E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325751
PNG
((rac)-Ethyl 2-[4-[3-fluoro-4-(trifluoromethyl)phen...)
Show SMILES CCOC(=O)CC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C19H17F4NO2/c1-2-26-18(25)8-12-3-5-13-14(9-24-10-15(12)13)11-4-6-16(17(20)7-11)19(21,22)23/h4,6-7,9-10,12H,2-3,5,8H2,1H3
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n/an/an/an/a 9n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325754
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES CCCNC(=O)CC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C20H20F4N2O/c1-2-7-26-19(27)9-13-3-5-14-15(10-25-11-16(13)14)12-4-6-17(18(21)8-12)20(22,23)24/h4,6,8,10-11,13H,2-3,5,7,9H2,1H3,(H,26,27)
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n/an/an/an/a 112n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325761
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2C(CC(=O)Nc3cc[nH]n3)CCc12
Show InChI InChI=1S/C20H16F4N4O/c21-17-7-11(2-4-16(17)20(22,23)24)14-9-25-10-15-12(1-3-13(14)15)8-19(29)27-18-5-6-26-28-18/h2,4-7,9-10,12H,1,3,8H2,(H2,26,27,28,29)
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n/an/an/an/a 30n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325773
PNG
((rac)-Ethyl 2-[4-[2-fluoro-4-(trifluoromethyl)phen...)
Show SMILES CCOC(=O)CC1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H19F4NO2/c1-2-27-19(26)8-12-4-3-5-14-16(12)10-25-11-17(14)15-7-6-13(9-18(15)21)20(22,23)24/h6-7,9-12H,2-5,8H2,1H3
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n/an/an/an/a 27n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325774
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5,...)
Show SMILES OCCC1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C18H17F4NO/c19-17-8-12(18(20,21)22)4-5-14(17)16-10-23-9-15-11(6-7-24)2-1-3-13(15)16/h4-5,8-11,24H,1-3,6-7H2
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n/an/an/an/a 85n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325782
PNG
((rac)-N-(Cyclopropylmethyl)-2-[4-[2-fluoro-4-(trif...)
Show SMILES Fc1cc(ccc1-c1cncc2C(CC(=O)NCC3CC3)CCCc12)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O/c23-20-9-15(22(24,25)26)6-7-17(20)19-12-27-11-18-14(2-1-3-16(18)19)8-21(29)28-10-13-4-5-13/h6-7,9,11-14H,1-5,8,10H2,(H,28,29)
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n/an/an/an/a 1.78E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325751
PNG
((rac)-Ethyl 2-[4-[3-fluoro-4-(trifluoromethyl)phen...)
Show SMILES CCOC(=O)CC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C19H17F4NO2/c1-2-26-18(25)8-12-3-5-13-14(9-24-10-15(12)13)11-4-6-16(17(20)7-11)19(21,22)23/h4,6-7,9-10,12H,2-3,5,8H2,1H3
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n/an/an/an/a 84n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325752
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES CNC(=O)CC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C18H16F4N2O/c1-23-17(25)7-11-2-4-12-13(8-24-9-14(11)12)10-3-5-15(16(19)6-10)18(20,21)22/h3,5-6,8-9,11H,2,4,7H2,1H3,(H,23,25)
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n/an/an/an/a 199n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325759
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2C(CC(=O)N3CCOCC3)CCc12
Show InChI InChI=1S/C21H20F4N2O2/c22-19-9-13(2-4-18(19)21(23,24)25)16-11-26-12-17-14(1-3-15(16)17)10-20(28)27-5-7-29-8-6-27/h2,4,9,11-12,14H,1,3,5-8,10H2
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n/an/an/an/a 20n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325764
PNG
((rac)-N-Ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)ph...)
Show SMILES CCN(C)C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H20F4N2O/c1-3-26(2)19(27)8-12-4-6-14-16(12)10-25-11-17(14)15-7-5-13(9-18(15)21)20(22,23)24/h5,7,9-12H,3-4,6,8H2,1-2H3
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n/an/an/an/a 44n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325765
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES CC(C)N(C)C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O/c1-12(2)27(3)20(28)8-13-4-6-15-17(13)10-26-11-18(15)16-7-5-14(9-19(16)22)21(23,24)25/h5,7,9-13H,4,6,8H2,1-3H3
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n/an/an/an/a 1.31E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325765
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES CC(C)N(C)C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O/c1-12(2)27(3)20(28)8-13-4-6-15-17(13)10-26-11-18(15)16-7-5-14(9-19(16)22)21(23,24)25/h5,7,9-13H,4,6,8H2,1-3H3
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n/an/an/an/a 18n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM325771
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES Fc1cc(ccc1-c1cncc2C(CC(=O)N3CCCC3)CCc12)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O/c22-19-10-14(21(23,24)25)4-6-16(19)18-12-26-11-17-13(3-5-15(17)18)9-20(28)27-7-1-2-8-27/h4,6,10-13H,1-3,5,7-9H2
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n/an/an/an/a 507n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325755
PNG
((rac)-N-Cyclopropyl-2-[4-[3-fluoro-4-(trifluoromet...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2C(CC(=O)NC3CC3)CCc12
Show InChI InChI=1S/C20H18F4N2O/c21-18-7-11(2-6-17(18)20(22,23)24)15-9-25-10-16-12(1-5-14(15)16)8-19(27)26-13-3-4-13/h2,6-7,9-10,12-13H,1,3-5,8H2,(H,26,27)
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n/an/an/an/a 13n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...


US Patent US9636339 (2017)

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