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Compile Data Set for Download or QSAR

Found 194 hits of ec50 data for polymerid = 1022   
Target
(Institution)
LigandTarget
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
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249226
PNG
(US9458135, 14)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(CSc2cccc(C)n2)c1
Show InChI InChI=1S/C22H21N3OS/c1-15-4-3-5-21(24-15)27-14-16-10-19(13-23-12-16)17-6-8-20-18(11-17)7-9-22(26)25(20)2/h3-6,8,10-13H,7,9,14H2,1-2H3
PDB

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US Patent
n/an/an/an/a 0.100n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249223
PNG
(US9458135, 11)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2cnc(Cl)nc2)c1
Show InChI InChI=1S/C20H17ClN4O2/c1-25-18-4-2-14(7-15(18)3-5-19(25)26)16-6-13(8-22-9-16)12-27-17-10-23-20(21)24-11-17/h2,4,6-11H,3,5,12H2,1H3
PDB

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US Patent
n/an/an/an/a 0.800n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249229
PNG
(US9458135, 17)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2cc(ccn2)C#N)c1
Show InChI InChI=1S/C22H18N4O2/c1-26-20-4-2-17(10-18(20)3-5-22(26)27)19-8-16(12-24-13-19)14-28-21-9-15(11-23)6-7-25-21/h2,4,6-10,12-13H,3,5,14H2,1H3
PDB

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US Patent
n/an/an/an/a 0.900n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249225
PNG
(US9458135, 13)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(CSc2nc3ccccc3o2)c1
Show InChI InChI=1S/C23H19N3O2S/c1-26-20-8-6-16(11-17(20)7-9-22(26)27)18-10-15(12-24-13-18)14-29-23-25-19-4-2-3-5-21(19)28-23/h2-6,8,10-13H,7,9,14H2,1H3
PDB

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US Patent
n/an/an/an/a 0.900n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249232
PNG
(US9458135, 20)
Show SMILES CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2ccc(Cl)cn2)c1
Show InChI InChI=1S/C21H17ClFN3O2/c1-26-19-8-18(23)17(7-14(19)2-5-21(26)27)15-6-13(9-24-10-15)12-28-20-4-3-16(22)11-25-20/h3-4,6-11H,2,5,12H2,1H3
PDB

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US Patent
n/an/an/an/a 1.60n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249217
PNG
(US9458135, 5)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2cc(C)ccn2)c1
Show InChI InChI=1S/C22H21N3O2/c1-15-7-8-24-21(9-15)27-14-16-10-19(13-23-12-16)17-3-5-20-18(11-17)4-6-22(26)25(20)2/h3,5,7-13H,4,6,14H2,1-2H3
PDB

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US Patent
n/an/an/an/a 1.70n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249218
PNG
(US9458135, 6)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2ccc(Cl)cn2)c1
Show InChI InChI=1S/C21H18ClN3O2/c1-25-19-5-2-15(9-16(19)3-7-21(25)26)17-8-14(10-23-11-17)13-27-20-6-4-18(22)12-24-20/h2,4-6,8-12H,3,7,13H2,1H3
PDB

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US Patent
n/an/an/an/a 1.90n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191958
PNG
(US9187429, 103)
Show SMILES CC1(COC2CCc3c2cncc3-c2ccc(cc2)C(F)(F)F)COC1
Show InChI InChI=1/C20H20F3NO2/c1-19(10-25-11-19)12-26-18-7-6-15-16(8-24-9-17(15)18)13-2-4-14(5-3-13)20(21,22)23/h2-5,8-9,18H,6-7,10-12H2,1H3
PDB

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US Patent
n/an/an/an/a 2.30n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249216
PNG
(US9458135, 4)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2cc(C)cc(n2)C(F)(F)F)c1
Show InChI InChI=1S/C23H20F3N3O2/c1-14-7-20(23(24,25)26)28-21(8-14)31-13-15-9-18(12-27-11-15)16-3-5-19-17(10-16)4-6-22(30)29(19)2/h3,5,7-12H,4,6,13H2,1-2H3
PDB

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US Patent
n/an/an/an/a 3.60n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249235
PNG
(US9458135, 23)
Show SMILES CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2cc(C)ccn2)c1
Show InChI InChI=1S/C22H20FN3O2/c1-14-5-6-25-21(7-14)28-13-15-8-17(12-24-11-15)18-9-16-3-4-22(27)26(2)20(16)10-19(18)23/h5-12H,3-4,13H2,1-2H3
PDB

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US Patent
n/an/an/an/a 4.10n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249221
PNG
(US9458135, 9)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2ccnc(C)n2)c1
Show InChI InChI=1S/C21H20N4O2/c1-14-23-8-7-20(24-14)27-13-15-9-18(12-22-11-15)16-3-5-19-17(10-16)4-6-21(26)25(19)2/h3,5,7-12H,4,6,13H2,1-2H3
PDB

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US Patent
n/an/an/an/a 4.20n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249215
PNG
(US9458135, 3)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2cccc(C)n2)c1
Show InChI InChI=1S/C22H21N3O2/c1-15-4-3-5-21(24-15)27-14-16-10-19(13-23-12-16)17-6-8-20-18(11-17)7-9-22(26)25(20)2/h3-6,8,10-13H,7,9,14H2,1-2H3
PDB

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US Patent
n/an/an/an/a 4.80n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191941
PNG
(US9187429, 84)
Show SMILES CC1(O)CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C16H14F3NO/c1-15(21)7-6-12-13(8-20-9-14(12)15)10-2-4-11(5-3-10)16(17,18)19/h2-5,8-9,21H,6-7H2,1H3
PDB

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n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249214
PNG
(US9458135, 2)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2ccc(F)cn2)c1
Show InChI InChI=1S/C21H18FN3O2/c1-25-19-5-2-15(9-16(19)3-7-21(25)26)17-8-14(10-23-11-17)13-27-20-6-4-18(22)12-24-20/h2,4-6,8-12H,3,7,13H2,1H3
PDB

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US Patent
n/an/an/an/a 6.30n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249230
PNG
(US9458135, 18)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2cccc(F)n2)c1
Show InChI InChI=1S/C21H18FN3O2/c1-25-18-7-5-15(10-16(18)6-8-21(25)26)17-9-14(11-23-12-17)13-27-20-4-2-3-19(22)24-20/h2-5,7,9-12H,6,8,13H2,1H3
PDB

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US Patent
n/an/an/an/a 7.5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191887
PNG
(US9187429, 13)
Show SMILES COC1CCCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1/C17H16N2O/c1-20-17-4-2-3-14-15(10-19-11-16(14)17)13-7-5-12(9-18)6-8-13/h5-8,10-11,17H,2-4H2,1H3
PDB

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US Patent
n/an/an/an/a 8n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249219
PNG
(US9458135, 7)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2ccccn2)c1
Show InChI InChI=1S/C21H19N3O2/c1-24-19-7-5-16(11-17(19)6-8-21(24)25)18-10-15(12-22-13-18)14-26-20-4-2-3-9-23-20/h2-5,7,9-13H,6,8,14H2,1H3
PDB

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n/an/an/an/a 8.70n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249213
PNG
(US9458135, 1)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2cccc(Cl)n2)c1
Show InChI InChI=1S/C21H18ClN3O2/c1-25-18-7-5-15(10-16(18)6-8-21(25)26)17-9-14(11-23-12-17)13-27-20-4-2-3-19(22)24-20/h2-5,7,9-12H,6,8,13H2,1H3
PDB

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n/an/an/an/a 9.10n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191938
PNG
(US9187429, 81)
Show SMILES OC1CCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1/C15H12N2O/c16-7-10-1-3-11(4-2-10)13-8-17-9-14-12(13)5-6-15(14)18/h1-4,8-9,15,18H,5-6H2
PDB

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n/an/an/an/a 12n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249222
PNG
(US9458135, 10)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2ccnc(n2)C(F)(F)F)c1
Show InChI InChI=1S/C21H17F3N4O2/c1-28-17-4-2-14(9-15(17)3-5-19(28)29)16-8-13(10-25-11-16)12-30-18-6-7-26-20(27-18)21(22,23)24/h2,4,6-11H,3,5,12H2,1H3
PDB

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US Patent
n/an/an/an/a 12.3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249227
PNG
(US9458135, 15)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(CSc2ncccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H18F3N3OS/c1-28-19-6-4-15(10-16(19)5-7-20(28)29)17-9-14(11-26-12-17)13-30-21-18(22(23,24)25)3-2-8-27-21/h2-4,6,8-12H,5,7,13H2,1H3
PDB

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n/an/an/an/a 14.3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249240
PNG
(US9458135, 28)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(CC(=O)Nc2cccc(C)n2)c1
Show InChI InChI=1S/C23H22N4O2/c1-15-4-3-5-21(25-15)26-22(28)11-16-10-19(14-24-13-16)17-6-8-20-18(12-17)7-9-23(29)27(20)2/h3-6,8,10,12-14H,7,9,11H2,1-2H3,(H,25,26,28)
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n/an/an/an/a 14.5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249233
PNG
(US9458135, 21)
Show SMILES CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2cccc(Cl)n2)c1
Show InChI InChI=1S/C21H17ClFN3O2/c1-26-18-9-17(23)16(8-14(18)5-6-21(26)27)15-7-13(10-24-11-15)12-28-20-4-2-3-19(22)25-20/h2-4,7-11H,5-6,12H2,1H3
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n/an/an/an/a 16.3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249239
PNG
(US9458135, 27)
Show SMILES CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2cccc(F)n2)c1C
Show InChI InChI=1S/C22H19F2N3O2/c1-13-15(12-29-21-5-3-4-20(24)26-21)10-25-11-17(13)16-8-14-6-7-22(28)27(2)19(14)9-18(16)23/h3-5,8-11H,6-7,12H2,1-2H3
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n/an/an/an/a 20.8n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191888
PNG
(US9187429, 14 | US9187429, 15 | US9187429, 16)
Show SMILES Cc1ccc(cc1C)C1(O)CCCc2c(cncc12)-c1ccc(cc1)C#N
Show InChI InChI=1/C24H22N2O/c1-16-5-10-20(12-17(16)2)24(27)11-3-4-21-22(14-26-15-23(21)24)19-8-6-18(13-25)7-9-19/h5-10,12,14-15,27H,3-4,11H2,1-2H3
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n/an/an/an/a 21n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191943
PNG
(US9187429, 87 | US9187429, 88)
Show SMILES CC1(C)Cc2c(cncc2-c2ccc(cc2)C#N)C1O
Show InChI InChI=1/C17H16N2O/c1-17(2)7-13-14(9-19-10-15(13)16(17)20)12-5-3-11(8-18)4-6-12/h3-6,9-10,16,20H,7H2,1-2H3
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n/an/an/an/a 28n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191886
PNG
(US9187429, 12)
Show SMILES CCNC(=O)OC1CCCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1/C19H19N3O2/c1-2-22-19(23)24-18-5-3-4-15-16(11-21-12-17(15)18)14-8-6-13(10-20)7-9-14/h6-9,11-12,18H,2-5H2,1H3,(H,22,23)
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n/an/an/an/a 30n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191885
PNG
(US9187429, 11)
Show SMILES OC1CCCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1/C16H14N2O/c17-8-11-4-6-12(7-5-11)14-9-18-10-15-13(14)2-1-3-16(15)19/h4-7,9-10,16,19H,1-3H2
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n/an/an/an/a 31n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249242
PNG
(US9458135, 30)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(CC(=O)Nc2cccc(Cl)n2)c1
Show InChI InChI=1S/C22H19ClN4O2/c1-27-18-7-5-15(11-16(18)6-8-22(27)29)17-9-14(12-24-13-17)10-21(28)26-20-4-2-3-19(23)25-20/h2-5,7,9,11-13H,6,8,10H2,1H3,(H,25,26,28)
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n/an/an/an/a 40.5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191957
PNG
(US9187429, 102)
Show SMILES NC(=O)COC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C17H15F3N2O2/c18-17(19,20)11-3-1-10(2-4-11)13-7-22-8-14-12(13)5-6-15(14)24-9-16(21)23/h1-4,7-8,15H,5-6,9H2,(H2,21,23)
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n/an/an/an/a 40.8n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249228
PNG
(US9458135, 16)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(CSc2ncccc2Cl)c1
Show InChI InChI=1S/C21H18ClN3OS/c1-25-19-6-4-15(10-16(19)5-7-20(25)26)17-9-14(11-23-12-17)13-27-21-18(22)3-2-8-24-21/h2-4,6,8-12H,5,7,13H2,1H3
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n/an/an/an/a 45.7n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM233856
PNG
(US9353081, 67 | US9353081, 68 | US9353081, 69)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc2C(O)CCCc12
Show InChI InChI=1/C19H20N2O2/c1-21-17-7-5-12(9-13(17)6-8-19(21)23)15-10-20-11-16-14(15)3-2-4-18(16)22/h5,7,9-11,18,22H,2-4,6,8H2,1H3
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n/an/an/an/a 54.1n/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 US9353081 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191917
PNG
(US9187429, 55)
Show SMILES CCC(=O)NC1CCc2c1cncc2-c1ccc(Cl)c(F)c1
Show InChI InChI=1/C17H16ClFN2O/c1-2-17(22)21-16-6-4-11-12(8-20-9-13(11)16)10-3-5-14(18)15(19)7-10/h3,5,7-9,16H,2,4,6H2,1H3,(H,21,22)
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n/an/an/an/a 64n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191939
PNG
(US9187429, 82)
Show SMILES OC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1/C15H11F4NO/c16-13-5-8(1-3-12(13)15(17,18)19)10-6-20-7-11-9(10)2-4-14(11)21/h1,3,5-7,14,21H,2,4H2
PDB

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n/an/an/an/a 71n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191952
PNG
(US9187429, 97)
Show SMILES CC(C)(C)OC(=O)COC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C21H22F3NO3/c1-20(2,3)28-19(26)12-27-18-9-8-15-16(10-25-11-17(15)18)13-4-6-14(7-5-13)21(22,23)24/h4-7,10-11,18H,8-9,12H2,1-3H3
PDB

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n/an/an/an/a 72.4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249220
PNG
(US9458135, 8)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2ncccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H18F3N3O2/c1-28-19-6-4-15(10-16(19)5-7-20(28)29)17-9-14(11-26-12-17)13-30-21-18(22(23,24)25)3-2-8-27-21/h2-4,6,8-12H,5,7,13H2,1H3
PDB

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n/an/an/an/a 72.8n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191888
PNG
(US9187429, 14 | US9187429, 15 | US9187429, 16)
Show SMILES Cc1ccc(cc1C)C1(O)CCCc2c(cncc12)-c1ccc(cc1)C#N
Show InChI InChI=1/C24H22N2O/c1-16-5-10-20(12-17(16)2)24(27)11-3-4-21-22(14-26-15-23(21)24)19-8-6-18(13-25)7-9-19/h5-10,12,14-15,27H,3-4,11H2,1-2H3
PDB

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n/an/an/an/a 73n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249224
PNG
(US9458135, 12)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2ncccn2)c1
Show InChI InChI=1S/C20H18N4O2/c1-24-18-5-3-15(10-16(18)4-6-19(24)25)17-9-14(11-21-12-17)13-26-20-22-7-2-8-23-20/h2-3,5,7-12H,4,6,13H2,1H3
PDB

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n/an/an/an/a 101n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM60877
PNG
(US9187429, 57)
Show SMILES CCC(=O)N[C@H]1CCc2c1cncc2-c1ccc(Cl)c(F)c1
Show InChI InChI=1/C17H16ClFN2O/c1-2-17(22)21-16-6-4-11-12(8-20-9-13(11)16)10-3-5-14(18)15(19)7-10/h3,5,7-9,16H,2,4,6H2,1H3,(H,21,22)/t16-/s2
PDB

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n/an/an/an/a 103n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249236
PNG
(US9458135, 24)
Show SMILES CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2cccc(C)n2)c1C
Show InChI InChI=1S/C23H22FN3O2/c1-14-5-4-6-22(26-14)29-13-17-11-25-12-19(15(17)2)18-9-16-7-8-23(28)27(3)21(16)10-20(18)24/h4-6,9-12H,7-8,13H2,1-3H3
PDB

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n/an/an/an/a 105n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM249237
PNG
(US9458135, 25)
Show SMILES CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2cccc(Cl)n2)c1C
Show InChI InChI=1S/C22H19ClFN3O2/c1-13-15(12-29-21-5-3-4-20(23)26-21)10-25-11-17(13)16-8-14-6-7-22(28)27(2)19(14)9-18(16)24/h3-5,8-11H,6-7,12H2,1-2H3
PDB

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n/an/an/an/a 116n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US9458135 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191919
PNG
(US9187429, 58 | US9187429, 59)
Show SMILES CCC(=O)NC1CCc2c1cncc2-c1ccc(F)c(C)c1
Show InChI InChI=1/C18H19FN2O/c1-3-18(22)21-17-7-5-13-14(9-20-10-15(13)17)12-4-6-16(19)11(2)8-12/h4,6,8-10,17H,3,5,7H2,1-2H3,(H,21,22)
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n/an/an/an/a 156n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191959
PNG
(US9187429, 104 | US9187429, 105 | US9187429, 106)
Show SMILES OC1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C16H14F3NO/c17-16(18,19)11-6-4-10(5-7-11)13-8-20-9-14-12(13)2-1-3-15(14)21/h4-9,15,21H,1-3H2
PDB

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n/an/an/an/a 159n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191876
PNG
(US9187429, 1)
Show SMILES NC1CCCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1/C16H15N3/c17-8-11-4-6-12(7-5-11)14-9-19-10-15-13(14)2-1-3-16(15)18/h4-7,9-10,16H,1-3,18H2
PDB

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n/an/an/an/a 173n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191890
PNG
(US9187429, 17 | US9187429, 18 | US9187429, 19)
Show SMILES CCC(=O)NC1CCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1/C18H17N3O/c1-2-18(22)21-17-8-7-14-15(10-20-11-16(14)17)13-5-3-12(9-19)4-6-13/h3-6,10-11,17H,2,7-8H2,1H3,(H,21,22)
PDB

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n/an/an/an/a 174n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191910
PNG
(US9187429, 45)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C18H18Cl2N2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)
PDB

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n/an/an/an/a 177n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191917
PNG
(US9187429, 55)
Show SMILES CCC(=O)NC1CCc2c1cncc2-c1ccc(Cl)c(F)c1
Show InChI InChI=1/C17H16ClFN2O/c1-2-17(22)21-16-6-4-11-12(8-20-9-13(11)16)10-3-5-14(18)15(19)7-10/h3,5,7-9,16H,2,4,6H2,1H3,(H,21,22)
PDB

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n/an/an/an/a 184n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM233856
PNG
(US9353081, 67 | US9353081, 68 | US9353081, 69)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc2C(O)CCCc12
Show InChI InChI=1/C19H20N2O2/c1-21-17-7-5-12(9-13(17)6-8-19(21)23)15-10-20-11-16-14(15)3-2-4-18(16)22/h5,7,9-11,18,22H,2-4,6,8H2,1H3
PDB

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n/an/an/an/a 206n/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 US9353081 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM233816
PNG
(US9353081, 14)
Show SMILES CCS(=O)(=O)NCCN1CCCc2c1cncc2-c1ccc2N(C)C(=O)CCc2c1
Show InChI InChI=1S/C22H28N4O3S/c1-3-30(28,29)24-10-12-26-11-4-5-18-19(14-23-15-21(18)26)16-6-8-20-17(13-16)7-9-22(27)25(20)2/h6,8,13-15,24H,3-5,7,9-12H2,1-2H3
PDB

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n/an/an/an/a 210n/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 US9353081 (2016)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM191903
PNG
(US9187429, 36 | US9187429, 37 | US9187429, 38)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)c(F)c1
Show InChI InChI=1/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)
PDB

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PDB
US Patent
n/an/an/an/a 214n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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