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Found 1751 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B1'   
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 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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
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))
BDBM101354
PNG
(US9695151, 20)
Show SMILES CCS(=O)(=O)N1CCC(CC1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C23H29ClN4O3S/c1-5-32(30,31)27-10-8-17(9-11-27)26(4)18-13-19(15-25-14-18)28-22(29)20-7-6-16(24)12-21(20)23(28,2)3/h6-7,12-15,17H,5,8-11H2,1-4H3
PDB

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US Patent
n/an/an/an/a 0.400n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...


US Patent US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM279757
PNG
(US10035804, Example 28)
Show SMILES Cc1cncc(n1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C26H25ClN6O2/c1-16-8-28-11-22(30-16)24(35)32-14-26(15-32)12-31(13-26)18-7-19(10-29-9-18)33-23(34)20-5-4-17(27)6-21(20)25(33,2)3/h4-11H,12-15H2,1-3H3
PDB

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US Patent
n/an/an/an/a 0.640n/an/an/an/a



Hoffman-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 US10035804 (2018)

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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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)


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


(Homo sapiens (Human))
BDBM279788
PNG
(US10035804, Example 59)
Show SMILES Cn1cc(cn1)C(=O)N1CC2(C1)CCN(CC2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C27H29ClN6O2/c1-26(2)23-10-19(28)4-5-22(23)25(36)34(26)21-11-20(13-29-14-21)32-8-6-27(7-9-32)16-33(17-27)24(35)18-12-30-31(3)15-18/h4-5,10-15H,6-9,16-17H2,1-3H3
PDB

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US Patent
n/an/an/an/a 0.819n/an/an/an/a



Hoffman-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 US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279789
PNG
(US10035804, Example 60)
Show SMILES CCn1cc(cn1)C(=O)N1CC2(C1)CCN(CC2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C28H31ClN6O2/c1-4-34-16-19(13-31-34)25(36)33-17-28(18-33)7-9-32(10-8-28)21-12-22(15-30-14-21)35-26(37)23-6-5-20(29)11-24(23)27(35,2)3/h5-6,11-16H,4,7-10,17-18H2,1-3H3
PDB

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n/an/an/an/a 0.892n/an/an/an/a



Hoffman-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 US10035804 (2018)

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))
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))
BDBM279771
PNG
(US10035804, Example 42)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2cocn2)C1
Show InChI InChI=1S/C24H22ClN5O3/c1-23(2)19-5-15(25)3-4-18(19)21(31)30(23)17-6-16(7-26-8-17)28-10-24(11-28)12-29(13-24)22(32)20-9-33-14-27-20/h3-9,14H,10-13H2,1-2H3
PDB

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n/an/an/an/a 1.05n/an/an/an/a



Hoffman-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 US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279733
PNG
(US10035804, Example 4)
Show SMILES Cn1ccnc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H25ClN6O2/c1-24(2)20-8-16(26)4-5-19(20)22(33)32(24)18-9-17(10-27-11-18)30-12-25(13-30)14-31(15-25)23(34)21-28-6-7-29(21)3/h4-11H,12-15H2,1-3H3
PDB

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n/an/an/an/a 1.10n/an/an/an/a



Hoffman-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 US10035804 (2018)

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))
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))
BDBM279762
PNG
(US10035804, Example 33)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2ncccn2)C1
Show InChI InChI=1S/C25H23ClN6O2/c1-24(2)20-8-16(26)4-5-19(20)22(33)32(24)18-9-17(10-27-11-18)30-12-25(13-30)14-31(15-25)23(34)21-28-6-3-7-29-21/h3-11H,12-15H2,1-2H3
PDB

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n/an/an/an/a 1.75n/an/an/an/a



Hoffman-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 US10035804 (2018)

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))
BDBM101353
PNG
(US9695151, 19)
Show SMILES CCC(=O)N1CCC(CC1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C24H29ClN4O2/c1-5-22(30)28-10-8-17(9-11-28)27(4)18-13-19(15-26-14-18)29-23(31)20-7-6-16(25)12-21(20)24(29,2)3/h6-7,12-15,17H,5,8-11H2,1-4H3
PDB

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US Patent
n/an/an/an/a 2n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...


US Patent US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM279774
PNG
(US10035804, Example 45)
Show SMILES Cc1nc(co1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H24ClN5O3/c1-15-28-21(10-34-15)23(33)30-13-25(14-30)11-29(12-25)17-7-18(9-27-8-17)31-22(32)19-5-4-16(26)6-20(19)24(31,2)3/h4-10H,11-14H2,1-3H3
PDB

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n/an/an/an/a 2.09n/an/an/an/a



Hoffman-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 US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279790
PNG
(US10035804, Example 61)
Show SMILES Cc1ccncc1C(=O)N1CC2(C1)CCN(CC2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C29H30ClN5O2/c1-19-6-9-31-16-24(19)26(36)34-17-29(18-34)7-10-33(11-8-29)21-13-22(15-32-14-21)35-27(37)23-5-4-20(30)12-25(23)28(35,2)3/h4-6,9,12-16H,7-8,10-11,17-18H2,1-3H3
PDB

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n/an/an/an/a 2.11n/an/an/an/a



Hoffman-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 US10035804 (2018)

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


(Homo sapiens (Human))
BDBM191958
PNG
(US9187429, 103)
Show SMILES CC1(COC2CCc3c2cncc3-c2ccc(cc2)C(F)(F)F)COC1
Show InChI InChI=1S/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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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)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM279767
PNG
(US10035804, Example 38)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2cnccn2)C1
Show InChI InChI=1S/C25H23ClN6O2/c1-24(2)20-7-16(26)3-4-19(20)22(33)32(24)18-8-17(9-28-10-18)30-12-25(13-30)14-31(15-25)23(34)21-11-27-5-6-29-21/h3-11H,12-15H2,1-2H3
PDB

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n/an/an/an/a 2.32n/an/an/an/a



Hoffman-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 US10035804 (2018)

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


(Homo sapiens (Human))
BDBM101355
PNG
(US9695151, 21)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H27ClN4O3S/c1-22(2)20-11-15(23)5-6-19(20)21(28)27(22)18-12-17(13-24-14-18)25(3)16-7-9-26(10-8-16)31(4,29)30/h5-6,11-14,16H,7-10H2,1-4H3
PDB

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n/an/an/an/a 3n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...


US Patent US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
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))
BDBM279759
PNG
(US10035804, Example 30)
Show SMILES Cc1cnc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C26H25ClN6O2/c1-16-8-30-22(11-29-16)24(35)32-14-26(15-32)12-31(13-26)18-7-19(10-28-9-18)33-23(34)20-5-4-17(27)6-21(20)25(33,2)3/h4-11H,12-15H2,1-3H3
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n/an/an/an/a 3.75n/an/an/an/a



Hoffman-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 US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279775
PNG
(US10035804, Example 46)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2ncccc2C#N)C1
Show InChI InChI=1S/C27H23ClN6O2/c1-26(2)22-8-18(28)5-6-21(22)24(35)34(26)20-9-19(11-30-12-20)32-13-27(14-32)15-33(16-27)25(36)23-17(10-29)4-3-7-31-23/h3-9,11-12H,13-16H2,1-2H3
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n/an/an/an/a 3.86n/an/an/an/a



Hoffman-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 US10035804 (2018)

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


(Homo sapiens (Human))
BDBM101385
PNG
(US9695152, 6)
Show SMILES CN(C1CCN(CC1)S(=O)(=O)C1CC1)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C24H29ClN4O3S/c1-24(2)22-12-16(25)4-7-21(22)23(30)29(24)19-13-18(14-26-15-19)27(3)17-8-10-28(11-9-17)33(31,32)20-5-6-20/h4,7,12-15,17,20H,5-6,8-11H2,1-3H3
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n/an/an/an/a 4n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...


US Patent US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
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
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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 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
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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))
BDBM279740
PNG
(US10035804, Example 11)
Show SMILES Cn1ccnc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H25N7O2/c1-25(2)21-8-17(10-27)4-5-20(21)23(34)33(25)19-9-18(11-28-12-19)31-13-26(14-31)15-32(16-26)24(35)22-29-6-7-30(22)3/h4-9,11-12H,13-16H2,1-3H3
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n/an/an/an/a 4.76n/an/an/an/a



Hoffman-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 US10035804 (2018)

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
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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))
BDBM191941
PNG
(US9187429, 84)
Show SMILES CC1(O)CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/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)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM279778
PNG
(US10035804, Example 49)
Show SMILES Cc1ccnc(C)c1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C28H28ClN5O2/c1-17-7-8-31-18(2)24(17)26(36)33-15-28(16-33)13-32(14-28)20-10-21(12-30-11-20)34-25(35)22-6-5-19(29)9-23(22)27(34,3)4/h5-12H,13-16H2,1-4H3
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n/an/an/an/a 5.07n/an/an/an/a



Hoffman-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 US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279761
PNG
(US10035804, Example 32)
Show SMILES Cc1ocnc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H24ClN5O3/c1-15-21(28-14-34-15)23(33)30-12-25(13-30)10-29(11-25)17-7-18(9-27-8-17)31-22(32)19-5-4-16(26)6-20(19)24(31,2)3/h4-9,14H,10-13H2,1-3H3
PDB

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n/an/an/an/a 5.37n/an/an/an/a



Hoffman-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 US10035804 (2018)

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
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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))
BDBM279760
PNG
(US10035804, Example 31)
Show SMILES Cc1cc(C(=O)N2CC3(C2)CN(C3)c2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)n(C)n1
Show InChI InChI=1S/C26H27ClN6O2/c1-16-7-22(30(4)29-16)24(35)32-14-26(15-32)12-31(13-26)18-9-19(11-28-10-18)33-23(34)20-6-5-17(27)8-21(20)25(33,2)3/h5-11H,12-15H2,1-4H3
PDB

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n/an/an/an/a 6.43n/an/an/an/a



Hoffman-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 US10035804 (2018)

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
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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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM279748
PNG
(US10035804, Example 19)
Show SMILES Cn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C11CC1
Show InChI InChI=1S/C25H23ClN6O2/c1-29-11-16(8-28-29)22(33)31-14-24(15-31)12-30(13-24)18-7-19(10-27-9-18)32-23(34)20-3-2-17(26)6-21(20)25(32)4-5-25/h2-3,6-11H,4-5,12-15H2,1H3
PDB

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n/an/an/an/a 7.69n/an/an/an/a



Hoffman-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 US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279735
PNG
(US10035804, Example 6)
Show SMILES Cn1cncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H25ClN6O2/c1-24(2)20-6-16(26)4-5-19(20)22(33)32(24)18-7-17(8-27-9-18)30-11-25(12-30)13-31(14-25)23(34)21-10-28-15-29(21)3/h4-10,15H,11-14H2,1-3H3
PDB

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n/an/an/an/a 7.94n/an/an/an/a



Hoffman-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 US10035804 (2018)

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


(Homo sapiens (Human))
BDBM191887
PNG
(US9187429, 13)
Show SMILES COC1CCCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1S/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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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)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM279776
PNG
(US10035804, Example 47)
Show SMILES Cc1ncc(Cl)c(n1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C26H24Cl2N6O2/c1-15-30-10-21(28)22(31-15)24(36)33-13-26(14-33)11-32(12-26)17-7-18(9-29-8-17)34-23(35)19-5-4-16(27)6-20(19)25(34,2)3/h4-10H,11-14H2,1-3H3
PDB

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n/an/an/an/a 8.31n/an/an/an/a



Hoffman-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 US10035804 (2018)

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
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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))
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
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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
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM279763
PNG
(US10035804, Example 34)
Show SMILES Cc1cnc(nc1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C26H25ClN6O2/c1-16-8-29-22(30-9-16)24(35)32-14-26(15-32)12-31(13-26)18-7-19(11-28-10-18)33-23(34)20-5-4-17(27)6-21(20)25(33,2)3/h4-11H,12-15H2,1-3H3
PDB

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n/an/an/an/a 9.55n/an/an/an/a



Hoffman-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 US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279787
PNG
(US10035804, Example 58)
Show SMILES CCn1cc(cn1)C(=O)N1CCC2(CN(C2)c2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)CC1
Show InChI InChI=1S/C28H31ClN6O2/c1-4-34-16-19(13-31-34)25(36)32-9-7-28(8-10-32)17-33(18-28)21-12-22(15-30-14-21)35-26(37)23-6-5-20(29)11-24(23)27(35,2)3/h5-6,11-16H,4,7-10,17-18H2,1-3H3
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n/an/an/an/a 9.64n/an/an/an/a



Hoffman-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 US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279768
PNG
(US10035804, Example 39)
Show SMILES Cc1oncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H24ClN5O3/c1-15-20(10-28-34-15)22(32)30-13-25(14-30)11-29(12-25)17-7-18(9-27-8-17)31-23(33)19-5-4-16(26)6-21(19)24(31,2)3/h4-10H,11-14H2,1-3H3
PDB

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US Patent
n/an/an/an/a 9.68n/an/an/an/a



Hoffman-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 US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279786
PNG
(US10035804, Example 57)
Show SMILES Cc1ccncc1C(=O)N1CCC2(CN(C2)c2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)CC1
Show InChI InChI=1S/C29H30ClN5O2/c1-19-6-9-31-16-24(19)26(36)33-10-7-29(8-11-33)17-34(18-29)21-13-22(15-32-14-21)35-27(37)23-5-4-20(30)12-25(23)28(35,2)3/h4-6,9,12-16H,7-8,10-11,17-18H2,1-3H3
PDB

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n/an/an/an/a 9.72n/an/an/an/a



Hoffman-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 US10035804 (2018)

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


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

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n/an/an/an/a 10n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


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


US Patent US9636339 (2017)

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


(Homo sapiens (Human))
BDBM279731
PNG
(US10035804, Example 2)
Show SMILES CCn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C26H27ClN6O2/c1-4-32-12-17(9-29-32)23(34)31-15-26(16-31)13-30(14-26)19-8-20(11-28-10-19)33-24(35)21-6-5-18(27)7-22(21)25(33,2)3/h5-12H,4,13-16H2,1-3H3
PDB

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n/an/an/an/a 11.1n/an/an/an/a



Hoffman-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 US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279732
PNG
(US10035804, Example 3)
Show SMILES CC(C)n1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C27H29ClN6O2/c1-17(2)33-12-18(9-30-33)24(35)32-15-27(16-32)13-31(14-27)20-8-21(11-29-10-20)34-25(36)22-6-5-19(28)7-23(22)26(34,3)4/h5-12,17H,13-16H2,1-4H3
PDB

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n/an/an/an/a 11.1n/an/an/an/a



Hoffman-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 US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279728
PNG
(5-Chloro-3,3-dimethyl-2-[5-[2-(1-methylpyrazole-4-...)
Show SMILES Cn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H25ClN6O2/c1-24(2)21-6-17(26)4-5-20(21)23(34)32(24)19-7-18(9-27-10-19)30-12-25(13-30)14-31(15-25)22(33)16-8-28-29(3)11-16/h4-11H,12-15H2,1-3H3
PDB

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n/an/an/an/a 11.3n/an/an/an/a



Hoffman-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 US10035804 (2018)

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


(Homo sapiens (Human))
BDBM191938
PNG
(US9187429, 81)
Show SMILES OC1CCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1S/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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Similars

US Patent
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)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM279752
PNG
(US10035804, Example 23)
Show SMILES C[C@@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2cnn(C)c2)C1
Show InChI InChI=1S/C24H23ClN6O2/c1-15-21-5-17(25)3-4-20(21)23(33)31(15)19-6-18(8-26-9-19)29-11-24(12-29)13-30(14-24)22(32)16-7-27-28(2)10-16/h3-10,15H,11-14H2,1-2H3/t15-/m0/s1
PDB

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



Hoffman-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 US10035804 (2018)

More data for this
Ligand-Target Pair
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