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USPatent US9636338

Compile data set for download or QSAR
Found 48 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))
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

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem
US Patent
n/an/an/an/a 50n/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))
BDBM325747
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES CC(C)N(C)C(=O)CC1CCc2cncc(c12)-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O/c1-12(2)27(3)19(28)8-13-4-5-14-10-26-11-17(20(13)14)16-7-6-15(9-18(16)22)21(23,24)25/h6-7,9-13H,4-5,8H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
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US Patent
n/an/an/an/a 8.36E+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 11B2 (CYP11B2)


(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

UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 740n/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

KEGG

UniProtKB/SwissProt

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US Patent
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 11B2 (CYP11B2)


(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

UniProtKB/SwissProt

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US Patent
n/an/an/an/a 33n/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 11B2 (CYP11B2)


(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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US Patent
n/an/an/an/a 1.02E+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 11B2 (CYP11B2)


(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

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/an/an/a 100n/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))
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
PDB

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US Patent
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))
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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US Patent
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 11B2 (CYP11B2)


(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

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem
US Patent
n/an/an/an/a 45n/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 11B2 (CYP11B2)


(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

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 60n/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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UniProtKB/SwissProt

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UniChem
US Patent
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 11B2 (CYP11B2)


(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

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/an/an/a 597n/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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325746
PNG
((rac)-N-Ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)ph...)
Show SMILES CCN(C)C(=O)CC1CCc2cncc(c12)-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H20F4N2O/c1-3-26(2)18(27)8-12-4-5-13-10-25-11-16(19(12)13)15-7-6-14(9-17(15)21)20(22,23)24/h6-7,9-12H,3-5,8H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 213n/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))
BDBM325748
PNG
((rac)-N-Cyclopropyl-2-[4-[2-fluoro-4-(trifluoromet...)
Show SMILES CN(C1CC1)C(=O)CC1CCc2cncc(c12)-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O/c1-27(15-5-6-15)19(28)8-12-2-3-13-10-26-11-17(20(12)13)16-7-4-14(9-18(16)22)21(23,24)25/h4,7,9-12,15H,2-3,5-6,8H2,1H3
PDB

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UniProtKB/SwissProt

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US Patent
n/an/an/an/a 9.45E+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))
BDBM325749
PNG
((rac)-N-Cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trif...)
Show SMILES CCN(C1CC1)C(=O)CC1CCc2cncc(c12)-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O/c1-2-28(16-6-7-16)20(29)9-13-3-4-14-11-27-12-18(21(13)14)17-8-5-15(10-19(17)23)22(24,25)26/h5,8,10-13,16H,2-4,6-7,9H2,1H3
PDB

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US Patent
n/an/an/an/a 8.61E+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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325749
PNG
((rac)-N-Cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trif...)
Show SMILES CCN(C1CC1)C(=O)CC1CCc2cncc(c12)-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O/c1-2-28(16-6-7-16)20(29)9-13-3-4-14-11-27-12-18(21(13)14)17-8-5-15(10-19(17)23)22(24,25)26/h5,8,10-13,16H,2-4,6-7,9H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 487n/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 11B2 (CYP11B2)


(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

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 69n/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 11B2 (CYP11B2)


(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

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 739n/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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UniProtKB/SwissProt

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US Patent
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))
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

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
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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UniChem
US Patent
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 11B2 (CYP11B2)


(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)
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n/an/an/an/a 113n/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 11B2 (CYP11B2)


(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)
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n/an/an/an/a 1.53E+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 11B2 (CYP11B2)


(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
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n/an/an/an/a 63n/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)
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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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325745
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES Fc1cc(ccc1-c1cncc2CCC(CC(=O)N3CCCC3)c12)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O/c22-18-10-15(21(23,24)25)5-6-16(18)17-12-26-11-14-4-3-13(20(14)17)9-19(28)27-7-1-2-8-27/h5-6,10-13H,1-4,7-9H2
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n/an/an/an/a 442n/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))
BDBM325746
PNG
((rac)-N-Ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)ph...)
Show SMILES CCN(C)C(=O)CC1CCc2cncc(c12)-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H20F4N2O/c1-3-26(2)18(27)8-12-4-5-13-10-25-11-16(19(12)13)15-7-6-14(9-17(15)21)20(22,23)24/h6-7,9-12H,3-5,8H2,1-2H3
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n/an/an/an/a 6.00E+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 11B2 (CYP11B2)


(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 205n/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 11B2 (CYP11B2)


(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
PDB

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n/an/an/an/a 263n/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
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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
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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))
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
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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))
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)
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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
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325747
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES CC(C)N(C)C(=O)CC1CCc2cncc(c12)-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O/c1-12(2)27(3)19(28)8-13-4-5-14-10-26-11-17(20(13)14)16-7-6-15(9-18(16)22)21(23,24)25/h6-7,9-13H,4-5,8H2,1-3H3
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n/an/an/an/a 413n/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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM325748
PNG
((rac)-N-Cyclopropyl-2-[4-[2-fluoro-4-(trifluoromet...)
Show SMILES CN(C1CC1)C(=O)CC1CCc2cncc(c12)-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O/c1-27(15-5-6-15)19(28)8-12-2-3-13-10-26-11-17(20(12)13)16-7-4-14(9-18(16)22)21(23,24)25/h4,7,9-12,15H,2-3,5-6,8H2,1H3
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n/an/an/an/a 957n/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))
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
PDB

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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))
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
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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 11B2 (CYP11B2)


(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
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n/an/an/an/a 64n/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)
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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 11B2 (CYP11B2)


(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
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n/an/an/an/a 742n/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
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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))
BDBM325745
PNG
((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES Fc1cc(ccc1-c1cncc2CCC(CC(=O)N3CCCC3)c12)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O/c22-18-10-15(21(23,24)25)5-6-16(18)17-12-26-11-14-4-3-13(20(14)17)9-19(28)27-7-1-2-8-27/h5-6,10-13H,1-4,7-9H2
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n/an/an/an/a 8.47E+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 11B2 (CYP11B2)


(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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US Patent
n/an/an/an/a 133n/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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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 11B2 (CYP11B2)


(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

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 832n/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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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
* indicates data uncertainty>20%