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USPatent US9458135

Compile data set for download or QSAR
Found 60 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, mitochondrial


(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 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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)
PDB

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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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 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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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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n/an/an/an/a 0.300n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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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n/an/an/an/a 0.0120n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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 0.5n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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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n/an/an/an/a 0.200n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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)
PDB

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n/an/an/an/a 2.20n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM249241
PNG
(US9458135, 29)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(CC(=O)Nc2cccc(Cl)c2)c1
Show InChI InChI=1S/C23H20ClN3O2/c1-27-21-7-5-16(11-17(21)6-8-23(27)29)18-9-15(13-25-14-18)10-22(28)26-20-4-2-3-19(24)12-20/h2-5,7,9,11-14H,6,8,10H2,1H3,(H,26,28)
PDB

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n/an/an/an/a 12.7n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM249231
PNG
(US9458135, 19)
Show SMILES CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2ncccc2F)c1
Show InChI InChI=1S/C21H17F2N3O2/c1-26-19-9-18(23)16(8-14(19)4-5-20(26)27)15-7-13(10-24-11-15)12-28-21-17(22)3-2-6-25-21/h2-3,6-11H,4-5,12H2,1H3
PDB

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n/an/an/an/a 997n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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
PDB

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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM249231
PNG
(US9458135, 19)
Show SMILES CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2ncccc2F)c1
Show InChI InChI=1S/C21H17F2N3O2/c1-26-19-9-18(23)16(8-14(19)4-5-20(26)27)15-7-13(10-24-11-15)12-28-21-17(22)3-2-6-25-21/h2-3,6-11H,4-5,12H2,1H3
PDB

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n/an/an/an/a 14.1n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM249234
PNG
(US9458135, 22)
Show SMILES CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2cccc(C)n2)c1
Show InChI InChI=1S/C22H20FN3O2/c1-14-4-3-5-21(25-14)28-13-15-8-17(12-24-11-15)18-9-16-6-7-22(27)26(2)20(16)10-19(18)23/h3-5,8-12H,6-7,13H2,1-2H3
PDB

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n/an/an/an/a 2n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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 0.700n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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
PDB

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US Patent
n/an/an/an/a 0.200n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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
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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM249241
PNG
(US9458135, 29)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(CC(=O)Nc2cccc(Cl)c2)c1
Show InChI InChI=1S/C23H20ClN3O2/c1-27-21-7-5-16(11-17(21)6-8-23(27)29)18-9-15(13-25-14-18)10-22(28)26-20-4-2-3-19(24)12-20/h2-5,7,9,11-14H,6,8,10H2,1H3,(H,26,28)
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n/an/an/an/a 307n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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
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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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
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n/an/an/an/a 0.200n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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
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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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 1.40n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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
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n/an/an/an/a 0.300n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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 0.200n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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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n/an/an/an/a 0.200n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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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n/an/an/an/a 0.400n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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 2.30n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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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n/an/an/an/a 0.300n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM249238
PNG
(US9458135, 26)
Show SMILES CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2ncccc2F)c1C
Show InChI InChI=1S/C22H19F2N3O2/c1-13-15(12-29-22-18(23)4-3-7-26-22)10-25-11-17(13)16-8-14-5-6-21(28)27(2)20(14)9-19(16)24/h3-4,7-11H,5-6,12H2,1-2H3
PDB

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n/an/an/an/a 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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM249234
PNG
(US9458135, 22)
Show SMILES CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2cccc(C)n2)c1
Show InChI InChI=1S/C22H20FN3O2/c1-14-4-3-5-21(25-14)28-13-15-8-17(12-24-11-15)18-9-16-6-7-22(27)26(2)20(16)10-19(18)23/h3-5,8-12H,6-7,13H2,1-2H3
PDB

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n/an/an/an/a 216n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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 1.30n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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
PDB

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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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)
PDB

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n/an/an/an/a 6.80n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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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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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM249238
PNG
(US9458135, 26)
Show SMILES CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2ncccc2F)c1C
Show InChI InChI=1S/C22H19F2N3O2/c1-13-15(12-29-22-18(23)4-3-7-26-22)10-25-11-17(13)16-8-14-5-6-21(28)27(2)20(14)9-19(16)24/h3-4,7-11H,5-6,12H2,1-2H3
PDB

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n/an/an/an/a 866n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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
PDB

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n/an/an/an/a 0.300n/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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%