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Compile Data Set for Download or QSAR

Found 63 hits of Enz. Inhib. data with enzyme = 'Cytochrome P450 11B1' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM286341
PNG
(4-(7-fluoro-[1,2,4] triazolo[1,5-a]pyridin-2- yl)i...)
Show SMILES Fc1ccn2nc(nc2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C15H9FN4/c16-11-5-6-20-14(7-11)18-15(19-20)13-9-17-8-10-3-1-2-4-12(10)13/h1-9H
PDB

KEGG

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US Patent
n/an/a 1.08E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfectio...


US Patent US9567333 (2017)

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


(Homo sapiens (human))
BDBM286359
PNG
(4-(6-fluoro-[1,2,4] triazolo[1,5-a]pyridin-2- yl)i...)
Show SMILES Fc1ccc2nc(nn2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C15H9FN4/c16-11-5-6-14-18-15(19-20(14)9-11)13-8-17-7-10-3-1-2-4-12(10)13/h1-9H
PDB

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n/an/a 2.15E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfectio...


US Patent US9567333 (2017)

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


(Homo sapiens (human))
BDBM286339
PNG
(4-(6,8-difluoro-[1,2,4] triazolo[1,5-a]pyridin-2- ...)
Show SMILES Fc1cc(F)c2nc(nn2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C15H8F2N4/c16-10-5-13(17)15-19-14(20-21(15)8-10)12-7-18-6-9-3-1-2-4-11(9)12/h1-8H
PDB

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n/an/a>8.33E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfectio...


US Patent US9567333 (2017)

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


(Homo sapiens (human))
BDBM286336
PNG
(2-(5-bromopyridin-3-yl)- 5-methyl-[1,2,4] triazolo...)
Show SMILES Cc1cccc2nc(nn12)-c1cncc(Br)c1
Show InChI InChI=1S/C12H9BrN4/c1-8-3-2-4-11-15-12(16-17(8)11)9-5-10(13)7-14-6-9/h2-7H,1H3
PDB

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n/an/a>8.33E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfectio...


US Patent US9567333 (2017)

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


(Homo sapiens (human))
BDBM286334
PNG
(2-(5-(6-fluoro-[1,2,4] triazolo[1,5-a]pyridin-2- y...)
Show SMILES CC(C)(O)c1cncc(c1)-c1nc2ccc(F)cn2n1
Show InChI InChI=1S/C14H13FN4O/c1-14(2,20)10-5-9(6-16-7-10)13-17-12-4-3-11(15)8-19(12)18-13/h3-8,20H,1-2H3
PDB

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n/an/a>8.33E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfectio...


US Patent US9567333 (2017)

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


(Homo sapiens (human))
BDBM286333
PNG
(4-(8-chloro-[1,2,4] triazolo[1,5-a]pyridin-2- yl)i...)
Show SMILES Clc1cccn2nc(nc12)-c1cncc2ccccc12
Show InChI InChI=1S/C15H9ClN4/c16-13-6-3-7-20-15(13)18-14(19-20)12-9-17-8-10-4-1-2-5-11(10)12/h1-9H
PDB

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n/an/a>8.33E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfectio...


US Patent US9567333 (2017)

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


(Homo sapiens (human))
BDBM286329
PNG
(4-([1,2,4]triazolo[1,5- a]pyridin-2- yl)isoquinoli...)
Show SMILES c1ccn2nc(nc2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C15H10N4/c1-2-6-12-11(5-1)9-16-10-13(12)15-17-14-7-3-4-8-19(14)18-15/h1-10H
PDB

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n/an/a>8.33E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfectio...


US Patent US9567333 (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
PDB

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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))
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))
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)
PDB

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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 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)
PDB

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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 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))
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 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 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
PDB

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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 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
PDB

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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 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
PDB

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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))
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
PDB

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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))
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
PDB

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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
PDB

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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 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
PDB

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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 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
PDB

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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 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))
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))
BDBM325750
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES C[C@H]1CCCN1C(=O)CC1CCc2cncc(c12)-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O/c1-13-3-2-8-28(13)20(29)9-14-4-5-15-11-27-12-18(21(14)15)17-7-6-16(10-19(17)23)22(24,25)26/h6-7,10-14H,2-5,8-9H2,1H3/t13-,14?/m0/s1
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n/an/an/an/a 3.97E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (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 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
PDB

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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 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)
PDB

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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))
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 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)
PDB

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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))
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)
PDB

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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 11B1


(Homo sapiens (human))
BDBM325726
PNG
((rac)-4-(3-Fluoro-4-(trifluoromethyl)phenyl)-6,7-d...)
Show SMILES NC1CCc2cncc(c12)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C15H12F4N2/c16-12-5-8(1-3-11(12)15(17,18)19)10-7-21-6-9-2-4-13(20)14(9)10/h1,3,5-7,13H,2,4,20H2
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n/an/an/an/a 5.35E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

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


(Homo sapiens (human))
BDBM325728
PNG
((rac)-4-(3-Fluoro-4-(trifluoromethyl)phenyl)-6,7-d...)
Show SMILES OC1CCc2cncc(c12)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C15H11F4NO/c16-12-5-8(1-3-11(12)15(17,18)19)10-7-20-6-9-2-4-13(21)14(9)10/h1,3,5-7,13,21H,2,4H2
PDB

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n/an/an/an/a 2.34E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

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


(Homo sapiens (human))
BDBM325729
PNG
((rac)-4-(3-Fluoro-4-(trifluoromethyl)phenyl)-5-met...)
Show SMILES CC1(O)CCc2cncc(c12)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C16H13F4NO/c1-15(22)5-4-10-7-21-8-11(14(10)15)9-2-3-12(13(17)6-9)16(18,19)20/h2-3,6-8,22H,4-5H2,1H3
PDB

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n/an/an/an/a 2.34E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

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


(Homo sapiens (human))
BDBM325730
PNG
((rac)-4-(3-Fluoro-4-(trifluoromethyl)phenyl)-5-phe...)
Show SMILES OC1(CCc2cncc(c12)-c1ccc(c(F)c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C21H15F4NO/c22-18-10-13(6-7-17(18)21(23,24)25)16-12-26-11-14-8-9-20(27,19(14)16)15-4-2-1-3-5-15/h1-7,10-12,27H,8-9H2
PDB

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n/an/an/an/a 1.96E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

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


(Homo sapiens (human))
BDBM325731
PNG
((rac)-4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,7-d...)
Show SMILES OC1CCc2cncc(c12)-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C15H11F4NO/c16-12-5-9(15(17,18)19)2-3-10(12)11-7-20-6-8-1-4-13(21)14(8)11/h2-3,5-7,13,21H,1,4H2
PDB

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n/an/an/an/a 3.33E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

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


(Homo sapiens (human))
BDBM325732
PNG
((rac)-4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5-met...)
Show SMILES CC1(O)CCc2cncc(c12)-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C16H13F4NO/c1-15(22)5-4-9-7-21-8-12(14(9)15)11-3-2-10(6-13(11)17)16(18,19)20/h2-3,6-8,22H,4-5H2,1H3
PDB

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n/an/an/an/a>3.00E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

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


(Homo sapiens (human))
BDBM325733
PNG
((rac)-4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5-iso...)
Show SMILES CC(C)C1(O)CCc2cncc(c12)-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C18H17F4NO/c1-10(2)17(24)6-5-11-8-23-9-14(16(11)17)13-4-3-12(7-15(13)19)18(20,21)22/h3-4,7-10,24H,5-6H2,1-2H3
PDB

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n/an/an/an/a 1.44E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

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


(Homo sapiens (human))
BDBM325734
PNG
((rac)-4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5-phe...)
Show SMILES OC1(CCc2cncc(c12)-c1ccc(cc1F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C21H15F4NO/c22-18-10-15(21(23,24)25)6-7-16(18)17-12-26-11-13-8-9-20(27,19(13)17)14-4-2-1-3-5-14/h1-7,10-12,27H,8-9H2
PDB

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n/an/an/an/a 7.39E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

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


(Homo sapiens (human))
BDBM325735
PNG
( (+)-4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5-phen...)
Show SMILES OC1(CCc2cncc(c12)-c1ccc(cc1F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C21H15F4NO/c22-18-10-15(21(23,24)25)6-7-16(18)17-12-26-11-13-8-9-20(27,19(13)17)14-4-2-1-3-5-14/h1-7,10-12,27H,8-9H2
PDB

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n/an/an/an/a 3.50E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

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


(Homo sapiens (human))
BDBM325736
PNG
((−)-4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5...)
Show SMILES OC1(CCc2cncc(c12)-c1ccc(cc1F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C21H15F4NO/c22-18-10-15(21(23,24)25)6-7-16(18)17-12-26-11-13-8-9-20(27,19(13)17)14-4-2-1-3-5-14/h1-7,10-12,27H,8-9H2
PDB

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n/an/an/an/a 8.13E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

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


(Homo sapiens (human))
BDBM325737
PNG
((rac)-Ethyl 2-[4-[3-fluoro-4-(trifluoromethyl)phen...)
Show SMILES CCOC(=O)CC1CCc2cncc(c12)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C19H17F4NO2/c1-2-26-17(25)8-12-3-4-13-9-24-10-14(18(12)13)11-5-6-15(16(20)7-11)19(21,22)23/h5-7,9-10,12H,2-4,8H2,1H3
PDB

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n/an/an/an/a 367n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

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


(Homo sapiens (human))
BDBM325738
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES CNC(=O)CC1CCc2cncc(c12)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C18H16F4N2O/c1-23-16(25)7-11-2-3-12-8-24-9-13(17(11)12)10-4-5-14(15(19)6-10)18(20,21)22/h4-6,8-9,11H,2-3,7H2,1H3,(H,23,25)
PDB

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n/an/an/an/a 1.03E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

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


(Homo sapiens (human))
BDBM325739
PNG
((rac)-N-(Cyclopropylmethyl)-2-[4-[3-fluoro-4-(trif...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2CCC(CC(=O)NCC3CC3)c12
Show InChI InChI=1S/C21H20F4N2O/c22-18-7-13(5-6-17(18)21(23,24)25)16-11-26-10-15-4-3-14(20(15)16)8-19(28)27-9-12-1-2-12/h5-7,10-12,14H,1-4,8-9H2,(H,27,28)
PDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 1.15E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

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


(Homo sapiens (human))
BDBM325740
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES CCCNC(=O)CC1CCc2cncc(c12)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C20H20F4N2O/c1-2-7-26-18(27)9-13-3-4-14-10-25-11-15(19(13)14)12-5-6-16(17(21)8-12)20(22,23)24/h5-6,8,10-11,13H,2-4,7,9H2,1H3,(H,26,27)
PDB

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n/an/an/an/a 2.60E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

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


(Homo sapiens (human))
BDBM325739
PNG
((rac)-N-(Cyclopropylmethyl)-2-[4-[3-fluoro-4-(trif...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2CCC(CC(=O)NCC3CC3)c12
Show InChI InChI=1S/C21H20F4N2O/c22-18-7-13(5-6-17(18)21(23,24)25)16-11-26-10-15-4-3-14(20(15)16)8-19(28)27-9-12-1-2-12/h5-7,10-12,14H,1-4,8-9H2,(H,27,28)
PDB

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n/an/an/an/a>3.00E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

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


(Homo sapiens (human))
BDBM325742
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2CCC(CC(=O)N3CCOCC3)c12
Show InChI InChI=1S/C21H20F4N2O2/c22-18-9-13(3-4-17(18)21(23,24)25)16-12-26-11-15-2-1-14(20(15)16)10-19(28)27-5-7-29-8-6-27/h3-4,9,11-12,14H,1-2,5-8,10H2
PDB

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n/an/an/an/a 3.63E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

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


(Homo sapiens (human))
BDBM325743
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2CCC(CC(=O)Nc3ccon3)c12
Show InChI InChI=1S/C20H15F4N3O2/c21-16-7-11(3-4-15(16)20(22,23)24)14-10-25-9-13-2-1-12(19(13)14)8-18(28)26-17-5-6-29-27-17/h3-7,9-10,12H,1-2,8H2,(H,26,27,28)
PDB

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n/an/an/an/a 311n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

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


(Homo sapiens (human))
BDBM325744
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2CCC(CC(=O)Nc3cc[nH]n3)c12
Show InChI InChI=1S/C20H16F4N4O/c21-16-7-11(3-4-15(16)20(22,23)24)14-10-25-9-13-2-1-12(19(13)14)8-18(29)27-17-5-6-26-28-17/h3-7,9-10,12H,1-2,8H2,(H2,26,27,28,29)
PDB

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UniProtKB/SwissProt

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US Patent
n/an/an/an/a 282n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9636338 (2017)

More data for this
Ligand-Target Pair
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