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Patent code US9695152

Compile Data Set for Download or QSAR
Found 84 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 11B1, mitochondrial


(Homo sapiens (Human))		BDBM101382
PNG
(US9695152, 3)
Show SMILES CN(C1CN(C1)S(=O)(=O)C1CC1)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H25ClN4O3S/c1-22(2)20-8-14(23)4-7-19(20)21(28)27(22)16-9-15(10-24-11-16)25(3)17-12-26(13-17)31(29,30)18-5-6-18/h4,7-11,17-18H,5-6,12-13H2,1-3H3
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n/an/an/an/a 18n/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))		BDBM101383
PNG
(US9695152, 4 | US9695152, 5)
Show SMILES CN(C1CCN(C1)S(=O)(=O)C1CC1)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C23H27ClN4O3S/c1-23(2)21-10-15(24)4-7-20(21)22(29)28(23)18-11-17(12-25-13-18)26(3)16-8-9-27(14-16)32(30,31)19-5-6-19/h4,7,10-13,16,19H,5-6,8-9,14H2,1-3H3
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n/an/an/an/a 133n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101386
PNG
(US9695152, 7 | US9695152, 8)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CCCN(C2)S(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C23H27ClN4O3S/c1-23(2)21-10-15(24)5-8-20(21)22(29)28(23)18-11-17(12-25-13-18)26-16-4-3-9-27(14-16)32(30,31)19-6-7-19/h5,8,10-13,16,19,26H,3-4,6-7,9,14H2,1-2H3
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n/an/an/an/a 365n/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))		BDBM101391
PNG
(US9695152, 12)
Show SMILES CC1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)C(=O)c2ncccc2Cl)c1
Show InChI InChI=1S/C23H19Cl2N5O2/c1-13-19-7-14(24)4-5-18(19)22(31)30(13)17-8-15(9-26-10-17)28-16-11-29(12-16)23(32)21-20(25)3-2-6-27-21/h2-10,13,16,28H,11-12H2,1H3
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n/an/an/an/a 1.83E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM101394
PNG
(US9695152, 15)
Show SMILES Clc1ccc2C(=O)N(CCc2c1)c1cncc(NC2CN(C2)S(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C20H21ClN4O3S/c21-14-1-4-19-13(7-14)5-6-25(20(19)26)17-8-15(9-22-10-17)23-16-11-24(12-16)29(27,28)18-2-3-18/h1,4,7-10,16,18,23H,2-3,5-6,11-12H2
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n/an/an/an/a 9.57E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM101396
PNG
(US9695152, 17)
Show SMILES Clc1ccc2C(=O)N(CCc2c1)c1cncc(NC2CN(C2)C(=O)c2ncccc2Cl)c1
Show InChI InChI=1S/C23H19Cl2N5O2/c24-15-3-4-19-14(8-15)5-7-30(22(19)31)18-9-16(10-26-11-18)28-17-12-29(13-17)23(32)21-20(25)2-1-6-27-21/h1-4,6,8-11,17,28H,5,7,12-13H2
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n/an/an/an/a 1.91E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM101401
PNG
(US9695152, 22)
Show SMILES Cn1ccnc1C(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C22H21ClN6O2/c1-27-7-5-25-20(27)22(31)28-12-17(13-28)26-16-9-18(11-24-10-16)29-6-4-14-8-15(23)2-3-19(14)21(29)30/h2-3,5,7-11,17,26H,4,6,12-13H2,1H3
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n/an/an/an/a 2.09E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101403
PNG
(US9695152, 24)
Show SMILES Cn1cc(cn1)C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C23H23ClN6O2/c1-23(2)20-6-15(24)4-5-19(20)22(32)30(23)18-7-16(9-25-10-18)27-17-12-29(13-17)21(31)14-8-26-28(3)11-14/h4-11,17,27H,12-13H2,1-3H3
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n/an/an/an/a 1n/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))		BDBM101403
PNG
(US9695152, 24)
Show SMILES Cn1cc(cn1)C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C23H23ClN6O2/c1-23(2)20-6-15(24)4-5-19(20)22(32)30(23)18-7-16(9-25-10-18)27-17-12-29(13-17)21(31)14-8-26-28(3)11-14/h4-11,17,27H,12-13H2,1-3H3
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n/an/an/an/a 6.02E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM101404
PNG
(US9695152, 25 | US9695152, 26)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)C(=O)c2cnccc2C)c1 |r|
Show InChI InChI=1S/C24H22ClN5O2/c1-14-5-6-26-11-22(14)23(31)29-12-18(13-29)28-17-8-19(10-27-9-17)30-15(2)21-7-16(25)3-4-20(21)24(30)32/h3-11,15,18,28H,12-13H2,1-2H3/t15-/m1/s1
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n/an/an/an/a 1.91E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM101407
PNG
(US9695152, 28)
Show SMILES C[C@@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)C(=O)c2ncccc2Cl)c1 |r|
Show InChI InChI=1S/C23H19Cl2N5O2/c1-13-19-7-14(24)4-5-18(19)22(31)30(13)17-8-15(9-26-10-17)28-16-11-29(12-16)23(32)21-20(25)3-2-6-27-21/h2-10,13,16,28H,11-12H2,1H3/t13-/m0/s1
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n/an/an/an/a 533n/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))		BDBM101410
PNG
(US9695152, 31)
Show SMILES CC1(C)N(C(=O)c2ccc(cc12)C#N)c1cncc(NC2CN(C2)S(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C22H23N5O3S/c1-22(2)20-7-14(9-23)3-6-19(20)21(28)27(22)17-8-15(10-24-11-17)25-16-12-26(13-16)31(29,30)18-4-5-18/h3,6-8,10-11,16,18,25H,4-5,12-13H2,1-2H3
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n/an/an/an/a 7.00E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101420
PNG
(US9695152, 38)
Show SMILES CC1(C)N(C(=O)c2ccc(cc12)C#N)c1cncc(NC2CN(C2)C(=O)c2ncccc2Cl)c1
Show InChI InChI=1S/C25H21ClN6O2/c1-25(2)20-8-15(10-27)5-6-19(20)23(33)32(25)18-9-16(11-28-12-18)30-17-13-31(14-17)24(34)22-21(26)4-3-7-29-22/h3-9,11-12,17,30H,13-14H2,1-2H3
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n/an/an/an/a 31n/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))		BDBM101420
PNG
(US9695152, 38)
Show SMILES CC1(C)N(C(=O)c2ccc(cc12)C#N)c1cncc(NC2CN(C2)C(=O)c2ncccc2Cl)c1
Show InChI InChI=1S/C25H21ClN6O2/c1-25(2)20-8-15(10-27)5-6-19(20)23(33)32(25)18-9-16(11-28-12-18)30-17-13-31(14-17)24(34)22-21(26)4-3-7-29-22/h3-9,11-12,17,30H,13-14H2,1-2H3
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n/an/an/an/a 1.20E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM101421
PNG
(US9695152, 39)
Show SMILES Cn1cncc1C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C24H23N7O2/c1-24(2)20-6-15(8-25)4-5-19(20)22(32)31(24)18-7-16(9-26-10-18)28-17-12-30(13-17)23(33)21-11-27-14-29(21)3/h4-7,9-11,14,17,28H,12-13H2,1-3H3
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n/an/an/an/a 1.39E+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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101382
PNG
(US9695152, 3)
Show SMILES CN(C1CN(C1)S(=O)(=O)C1CC1)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H25ClN4O3S/c1-22(2)20-8-14(23)4-7-19(20)21(28)27(22)16-9-15(10-24-11-16)25(3)17-12-26(13-17)31(29,30)18-5-6-18/h4,7-11,17-18H,5-6,12-13H2,1-3H3
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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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101390
PNG
(US9695152, 11)
Show SMILES Cc1cncc(c1)C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H24ClN5O2/c1-15-6-16(10-27-9-15)23(32)30-13-19(14-30)29-18-8-20(12-28-11-18)31-24(33)21-5-4-17(26)7-22(21)25(31,2)3/h4-12,19,29H,13-14H2,1-3H3
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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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM101408
PNG
(US9695152, 29 | US9695152, 30)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)S(=O)(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C20H21ClN4O3S/c1-12-19-6-13(21)2-5-18(19)20(26)25(12)16-7-14(8-22-9-16)23-15-10-24(11-15)29(27,28)17-3-4-17/h2,5-9,12,15,17,23H,3-4,10-11H2,1H3/t12-/m1/s1
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n/an/an/an/a 652n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101414
PNG
(US9695152, 35)
Show SMILES CC1(C)N(C(=O)c2ccc(cc12)C#N)c1cncc(NC2CCN(CC2)S(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C24H27N5O3S/c1-24(2)22-11-16(13-25)3-6-21(22)23(30)29(24)19-12-18(14-26-15-19)27-17-7-9-28(10-8-17)33(31,32)20-4-5-20/h3,6,11-12,14-15,17,20,27H,4-5,7-10H2,1-2H3
PDB

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n/an/an/an/a 24n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101415
PNG
(US9695152, 36)
Show SMILES CC1(C)N(C(=O)c2ccc(cc12)C#N)c1cncc(NC2CCN(CC2)C(=O)c2ncccc2Cl)c1
Show InChI InChI=1S/C27H25ClN6O2/c1-27(2)22-12-17(14-29)5-6-21(22)25(35)34(27)20-13-19(15-30-16-20)32-18-7-10-33(11-8-18)26(36)24-23(28)4-3-9-31-24/h3-6,9,12-13,15-16,18,32H,7-8,10-11H2,1-2H3
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n/an/an/an/a 22n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101423
PNG
(US9695152, 41)
Show SMILES Cn1ccnc1C(=O)N1CCC(CC1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H27N7O2/c1-26(2)22-12-17(14-27)4-5-21(22)24(34)33(26)20-13-19(15-28-16-20)30-18-6-9-32(10-7-18)25(35)23-29-8-11-31(23)3/h4-5,8,11-13,15-16,18,30H,6-7,9-10H2,1-3H3
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n/an/an/an/a 17n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101472
PNG
(US9695152, 42)
Show SMILES Cn1cncc1C(=O)N1CCC(CC1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H27N7O2/c1-26(2)22-10-17(12-27)4-5-21(22)24(34)33(26)20-11-19(13-28-14-20)30-18-6-8-32(9-7-18)25(35)23-15-29-16-31(23)3/h4-5,10-11,13-16,18,30H,6-9H2,1-3H3
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n/an/an/an/a 56n/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))		BDBM101383
PNG
(US9695152, 4 | US9695152, 5)
Show SMILES CN(C1CCN(C1)S(=O)(=O)C1CC1)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C23H27ClN4O3S/c1-23(2)21-10-15(24)4-7-20(21)22(29)28(23)18-11-17(12-25-13-18)26(3)16-8-9-27(14-16)32(30,31)19-5-6-19/h4,7,10-13,16,19H,5-6,8-9,14H2,1-3H3
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n/an/an/an/a 56n/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 11B2, 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 1n/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))		BDBM101390
PNG
(US9695152, 11)
Show SMILES Cc1cncc(c1)C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H24ClN5O2/c1-15-6-16(10-27-9-15)23(32)30-13-19(14-30)29-18-8-20(12-28-11-18)31-24(33)21-5-4-17(26)7-22(21)25(31,2)3/h4-12,19,29H,13-14H2,1-3H3
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n/an/an/an/a 1.95E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101395
PNG
(US9695152, 16)
Show SMILES Cc1ccncc1C(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C24H22ClN5O2/c1-15-4-6-26-12-22(15)23(31)29-13-19(14-29)28-18-9-20(11-27-10-18)30-7-5-16-8-17(25)2-3-21(16)24(30)32/h2-4,6,8-12,19,28H,5,7,13-14H2,1H3
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n/an/an/an/a 10n/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))		BDBM101395
PNG
(US9695152, 16)
Show SMILES Cc1ccncc1C(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C24H22ClN5O2/c1-15-4-6-26-12-22(15)23(31)29-13-19(14-29)28-18-9-20(11-27-10-18)30-7-5-16-8-17(25)2-3-21(16)24(30)32/h2-4,6,8-12,19,28H,5,7,13-14H2,1H3
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n/an/an/an/a 5.35E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM101399
PNG
(US9695152, 20)
Show SMILES Cc1noc(C)c1C(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C23H22ClN5O3/c1-13-21(14(2)32-27-13)23(31)28-11-18(12-28)26-17-8-19(10-25-9-17)29-6-5-15-7-16(24)3-4-20(15)22(29)30/h3-4,7-10,18,26H,5-6,11-12H2,1-2H3
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n/an/an/an/a 3.88E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101400
PNG
(US9695152, 21)
Show SMILES Cn1cc(cn1)C(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C22H21ClN6O2/c1-27-11-15(8-25-27)21(30)28-12-18(13-28)26-17-7-19(10-24-9-17)29-5-4-14-6-16(23)2-3-20(14)22(29)31/h2-3,6-11,18,26H,4-5,12-13H2,1H3
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n/an/an/an/a 7n/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))		BDBM101406
PNG
(US9695152, 27)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)C(=O)c2ncccc2Cl)c1 |r|
Show InChI InChI=1S/C23H19Cl2N5O2/c1-13-19-7-14(24)4-5-18(19)22(31)30(13)17-8-15(9-26-10-17)28-16-11-29(12-16)23(32)21-20(25)3-2-6-27-21/h2-10,13,16,28H,11-12H2,1H3/t13-/m1/s1
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n/an/an/an/a 1.13E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM101411
PNG
(US9695152, 32)
Show SMILES Cc1ccncc1C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H24N6O2/c1-16-6-7-28-13-22(16)24(33)31-14-19(15-31)30-18-9-20(12-29-11-18)32-25(34)21-5-4-17(10-27)8-23(21)26(32,2)3/h4-9,11-13,19,30H,14-15H2,1-3H3
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n/an/an/an/a 6.14E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM101416
PNG
(US9695152, 37)
Show SMILES Cc1ccncc1C(=O)N1CCC(CC1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C28H28N6O2/c1-18-6-9-30-17-24(18)26(35)33-10-7-20(8-11-33)32-21-13-22(16-31-15-21)34-27(36)23-5-4-19(14-29)12-25(23)28(34,2)3/h4-6,9,12-13,15-17,20,32H,7-8,10-11H2,1-3H3
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n/an/an/an/a 1.05E+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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101381
PNG
(US9695152, 2)
Show SMILES Cn1ccnc1C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C23H23ClN6O2/c1-23(2)19-8-14(24)4-5-18(19)21(31)30(23)17-9-15(10-25-11-17)27-16-12-29(13-16)22(32)20-26-6-7-28(20)3/h4-11,16,27H,12-13H2,1-3H3
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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))		BDBM101381
PNG
(US9695152, 2)
Show SMILES Cn1ccnc1C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C23H23ClN6O2/c1-23(2)19-8-14(24)4-5-18(19)21(31)30(23)17-9-15(10-25-11-17)27-16-12-29(13-16)22(32)20-26-6-7-28(20)3/h4-11,16,27H,12-13H2,1-3H3
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n/an/an/an/a 450n/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))		BDBM101388
PNG
(US9695152, 9)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)C(=O)c2ncccc2Cl)c1
Show InChI InChI=1S/C24H21Cl2N5O2/c1-24(2)19-8-14(25)5-6-18(19)22(32)31(24)17-9-15(10-27-11-17)29-16-12-30(13-16)23(33)21-20(26)4-3-7-28-21/h3-11,16,29H,12-13H2,1-2H3
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n/an/an/an/a 297n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101389
PNG
(US9695152, 10)
Show SMILES Cc1ccncc1C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H24ClN5O2/c1-15-6-7-27-12-21(15)23(32)30-13-18(14-30)29-17-9-19(11-28-10-17)31-24(33)20-5-4-16(26)8-22(20)25(31,2)3/h4-12,18,29H,13-14H2,1-3H3
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n/an/an/an/a 11n/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))		BDBM101389
PNG
(US9695152, 10)
Show SMILES Cc1ccncc1C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H24ClN5O2/c1-15-6-7-27-12-21(15)23(32)30-13-18(14-30)29-17-9-19(11-28-10-17)31-24(33)20-5-4-16(26)8-22(20)25(31,2)3/h4-12,18,29H,13-14H2,1-3H3
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n/an/an/an/a 1.75E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101391
PNG
(US9695152, 12)
Show SMILES CC1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)C(=O)c2ncccc2Cl)c1
Show InChI InChI=1S/C23H19Cl2N5O2/c1-13-19-7-14(24)4-5-18(19)22(31)30(13)17-8-15(9-26-10-17)28-16-11-29(12-16)23(32)21-20(25)3-2-6-27-21/h2-10,13,16,28H,11-12H2,1H3
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n/an/an/an/a 18n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101394
PNG
(US9695152, 15)
Show SMILES Clc1ccc2C(=O)N(CCc2c1)c1cncc(NC2CN(C2)S(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C20H21ClN4O3S/c21-14-1-4-19-13(7-14)5-6-25(20(19)26)17-8-15(9-22-10-17)23-16-11-24(12-16)29(27,28)18-2-3-18/h1,4,7-10,16,18,23H,2-3,5-6,11-12H2
PDB

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n/an/an/an/a 148n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101408
PNG
(US9695152, 29 | US9695152, 30)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)S(=O)(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C20H21ClN4O3S/c1-12-19-6-13(21)2-5-18(19)20(26)25(12)16-7-14(8-22-9-16)23-15-10-24(11-15)29(27,28)17-3-4-17/h2,5-9,12,15,17,23H,3-4,10-11H2,1H3/t12-/m1/s1
PDB

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n/an/an/an/a 18n/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))		BDBM101412
PNG
(US9695152, 33)
Show SMILES Cn1cc(cn1)C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C24H23N7O2/c1-24(2)21-6-15(8-25)4-5-20(21)23(33)31(24)19-7-17(10-26-11-19)28-18-13-30(14-18)22(32)16-9-27-29(3)12-16/h4-7,9-12,18,28H,13-14H2,1-3H3
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n/an/an/an/a 2.95E+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))		BDBM101413
PNG
(US9695152, 34)
Show SMILES Cn1ccnc1C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C24H23N7O2/c1-24(2)20-8-15(10-25)4-5-19(20)22(32)31(24)18-9-16(11-26-12-18)28-17-13-30(14-17)23(33)21-27-6-7-29(21)3/h4-9,11-12,17,28H,13-14H2,1-3H3
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n/an/an/an/a 586n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101422
PNG
(US9695152, 40)
Show SMILES Cn1cc(cn1)C(=O)N1CCC(CC1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H27N7O2/c1-26(2)23-10-17(12-27)4-5-22(23)25(35)33(26)21-11-20(14-28-15-21)30-19-6-8-32(9-7-19)24(34)18-13-29-31(3)16-18/h4-5,10-11,13-16,19,30H,6-9H2,1-3H3
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n/an/an/an/a 52n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101386
PNG
(US9695152, 7 | US9695152, 8)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CCCN(C2)S(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C23H27ClN4O3S/c1-23(2)21-10-15(24)5-8-20(21)22(29)28(23)18-11-17(12-25-13-18)26-16-4-3-9-27(14-16)32(30,31)19-6-7-19/h5,8,10-13,16,19,26H,3-4,6-7,9,14H2,1-2H3
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n/an/an/an/a 230n/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))		BDBM101398
PNG
(US9695152, 19)
Show SMILES Cc1ccncc1C(=O)N1CC2(CC(C2)Nc2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)C1
Show InChI InChI=1S/C28H28ClN5O2/c1-17-6-7-30-14-23(17)25(35)33-15-28(16-33)10-20(11-28)32-19-9-21(13-31-12-19)34-26(36)22-5-4-18(29)8-24(22)27(34,2)3/h4-9,12-14,20,32H,10-11,15-16H2,1-3H3
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n/an/an/an/a 1.09E+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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101404
PNG
(US9695152, 25 | US9695152, 26)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)C(=O)c2cnccc2C)c1 |r|
Show InChI InChI=1S/C24H22ClN5O2/c1-14-5-6-26-11-22(14)23(31)29-12-18(13-29)28-17-8-19(10-27-9-17)30-15(2)21-7-16(25)3-4-20(21)24(30)32/h3-11,15,18,28H,12-13H2,1-2H3/t15-/m1/s1
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n/an/an/an/a 7n/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))		BDBM101404
PNG
(US9695152, 25 | US9695152, 26)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)C(=O)c2cnccc2C)c1 |r|
Show InChI InChI=1S/C24H22ClN5O2/c1-14-5-6-26-11-22(14)23(31)29-12-18(13-29)28-17-8-19(10-27-9-17)30-15(2)21-7-16(25)3-4-20(21)24(30)32/h3-11,15,18,28H,12-13H2,1-2H3/t15-/m1/s1
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n/an/an/an/a 4.36E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101410
PNG
(US9695152, 31)
Show SMILES CC1(C)N(C(=O)c2ccc(cc12)C#N)c1cncc(NC2CN(C2)S(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C22H23N5O3S/c1-22(2)20-7-14(9-23)3-6-19(20)21(28)27(22)17-8-15(10-24-11-17)25-16-12-26(13-16)31(29,30)18-4-5-18/h3,6-8,10-11,16,18,25H,4-5,12-13H2,1-2H3
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n/an/an/an/a 12n/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))		BDBM101415
PNG
(US9695152, 36)
Show SMILES CC1(C)N(C(=O)c2ccc(cc12)C#N)c1cncc(NC2CCN(CC2)C(=O)c2ncccc2Cl)c1
Show InChI InChI=1S/C27H25ClN6O2/c1-27(2)22-12-17(14-29)5-6-21(22)25(35)34(27)20-13-19(15-30-16-20)32-18-7-10-33(11-8-18)26(36)24-23(28)4-3-9-31-24/h3-6,9,12-13,15-16,18,32H,7-8,10-11H2,1-2H3
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n/an/an/an/a 1.40E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101421
PNG
(US9695152, 39)
Show SMILES Cn1cncc1C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C24H23N7O2/c1-24(2)20-6-15(8-25)4-5-19(20)22(32)31(24)18-7-16(9-26-10-18)28-17-12-30(13-17)23(33)21-11-27-14-29(21)3/h4-7,9-11,14,17,28H,12-13H2,1-3H3
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n/an/an/an/a 25n/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))		BDBM101386
PNG
(US9695152, 7 | US9695152, 8)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CCCN(C2)S(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C23H27ClN4O3S/c1-23(2)21-10-15(24)5-8-20(21)22(29)28(23)18-11-17(12-25-13-18)26-16-4-3-9-27(14-16)32(30,31)19-6-7-19/h5,8,10-13,16,19,26H,3-4,6-7,9,14H2,1-2H3
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n/an/an/an/a 1.95E+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))		BDBM101400
PNG
(US9695152, 21)
Show SMILES Cn1cc(cn1)C(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C22H21ClN6O2/c1-27-11-15(8-25-27)21(30)28-12-18(13-28)26-17-7-19(10-24-9-17)29-5-4-14-6-16(23)2-3-20(14)22(29)31/h2-3,6-11,18,26H,4-5,12-13H2,1H3
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n/an/an/an/a 1.69E+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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101404
PNG
(US9695152, 25 | US9695152, 26)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)C(=O)c2cnccc2C)c1 |r|
Show InChI InChI=1S/C24H22ClN5O2/c1-14-5-6-26-11-22(14)23(31)29-12-18(13-29)28-17-8-19(10-27-9-17)30-15(2)21-7-16(25)3-4-20(21)24(30)32/h3-11,15,18,28H,12-13H2,1-2H3/t15-/m1/s1
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n/an/an/an/a 16n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101408
PNG
(US9695152, 29 | US9695152, 30)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)S(=O)(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C20H21ClN4O3S/c1-12-19-6-13(21)2-5-18(19)20(26)25(12)16-7-14(8-22-9-16)23-15-10-24(11-15)29(27,28)17-3-4-17/h2,5-9,12,15,17,23H,3-4,10-11H2,1H3/t12-/m1/s1
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n/an/an/an/a 29n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101411
PNG
(US9695152, 32)
Show SMILES Cc1ccncc1C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H24N6O2/c1-16-6-7-28-13-22(16)24(33)31-14-19(15-31)30-18-9-20(12-29-11-18)32-25(34)21-5-4-17(10-27)8-23(21)26(32,2)3/h4-9,11-13,19,30H,14-15H2,1-3H3
PDB

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n/an/an/an/a 27n/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))		BDBM101414
PNG
(US9695152, 35)
Show SMILES CC1(C)N(C(=O)c2ccc(cc12)C#N)c1cncc(NC2CCN(CC2)S(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C24H27N5O3S/c1-24(2)22-11-16(13-25)3-6-21(22)23(30)29(24)19-12-18(14-26-15-19)27-17-7-9-28(10-8-17)33(31,32)20-4-5-20/h3,6,11-12,14-15,17,20,27H,4-5,7-10H2,1-2H3
PDB

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n/an/an/an/a 1.33E+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))		BDBM101380
PNG
(US9695152, 1)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)S(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C21H23ClN4O3S/c1-21(2)19-7-13(22)3-6-18(19)20(27)26(21)16-8-14(9-23-10-16)24-15-11-25(12-15)30(28,29)17-4-5-17/h3,6-10,15,17,24H,4-5,11-12H2,1-2H3
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n/an/an/an/a 1.25E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101383
PNG
(US9695152, 4 | US9695152, 5)
Show SMILES CN(C1CCN(C1)S(=O)(=O)C1CC1)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C23H27ClN4O3S/c1-23(2)21-10-15(24)4-7-20(21)22(29)28(23)18-11-17(12-25-13-18)26(3)16-8-9-27(14-16)32(30,31)19-5-6-19/h4,7,10-13,16,19H,5-6,8-9,14H2,1-3H3
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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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101383
PNG
(US9695152, 4 | US9695152, 5)
Show SMILES CN(C1CCN(C1)S(=O)(=O)C1CC1)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C23H27ClN4O3S/c1-23(2)21-10-15(24)4-7-20(21)22(29)28(23)18-11-17(12-25-13-18)26(3)16-8-9-27(14-16)32(30,31)19-5-6-19/h4,7,10-13,16,19H,5-6,8-9,14H2,1-3H3
PDB

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n/an/an/an/a 1n/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))		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
PDB

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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))		BDBM101392
PNG
(US9695152, 13)
Show SMILES CC1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)C(=O)c2cnccc2C)c1
Show InChI InChI=1S/C24H22ClN5O2/c1-14-5-6-26-11-22(14)23(31)29-12-18(13-29)28-17-8-19(10-27-9-17)30-15(2)21-7-16(25)3-4-20(21)24(30)32/h3-11,15,18,28H,12-13H2,1-2H3
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n/an/an/an/a 4.90E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM101393
PNG
(US9695152, 14)
Show SMILES CC1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)S(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C20H21ClN4O3S/c1-12-19-6-13(21)2-5-18(19)20(26)25(12)16-7-14(8-22-9-16)23-15-10-24(11-15)29(27,28)17-3-4-17/h2,5-9,12,15,17,23H,3-4,10-11H2,1H3
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n/an/an/an/a 2.89E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101396
PNG
(US9695152, 17)
Show SMILES Clc1ccc2C(=O)N(CCc2c1)c1cncc(NC2CN(C2)C(=O)c2ncccc2Cl)c1
Show InChI InChI=1S/C23H19Cl2N5O2/c24-15-3-4-19-14(8-15)5-7-30(22(19)31)18-9-16(10-26-11-18)28-17-12-29(13-17)23(32)21-20(25)2-1-6-27-21/h1-4,6,8-11,17,28H,5,7,12-13H2
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n/an/an/an/a 145n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101397
PNG
(US9695152, 18)
Show SMILES Cc1cncc(c1)C(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C24H22ClN5O2/c1-15-6-17(10-26-9-15)23(31)29-13-20(14-29)28-19-8-21(12-27-11-19)30-5-4-16-7-18(25)2-3-22(16)24(30)32/h2-3,6-12,20,28H,4-5,13-14H2,1H3
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n/an/an/an/a 9n/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))		BDBM101397
PNG
(US9695152, 18)
Show SMILES Cc1cncc(c1)C(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C24H22ClN5O2/c1-15-6-17(10-26-9-15)23(31)29-13-20(14-29)28-19-8-21(12-27-11-19)30-5-4-16-7-18(25)2-3-22(16)24(30)32/h2-3,6-12,20,28H,4-5,13-14H2,1H3
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n/an/an/an/a 1.29E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101398
PNG
(US9695152, 19)
Show SMILES Cc1ccncc1C(=O)N1CC2(CC(C2)Nc2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)C1
Show InChI InChI=1S/C28H28ClN5O2/c1-17-6-7-30-14-23(17)25(35)33-15-28(16-33)10-20(11-28)32-19-9-21(13-31-12-19)34-26(36)22-5-4-18(29)8-24(22)27(34,2)3/h4-9,12-14,20,32H,10-11,15-16H2,1-3H3
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n/an/an/an/a 86n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101399
PNG
(US9695152, 20)
Show SMILES Cc1noc(C)c1C(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C23H22ClN5O3/c1-13-21(14(2)32-27-13)23(31)28-11-18(12-28)26-17-8-19(10-25-9-17)29-6-5-15-7-16(24)3-4-20(15)22(29)30/h3-4,7-10,18,26H,5-6,11-12H2,1-2H3
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n/an/an/an/a 55n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101406
PNG
(US9695152, 27)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)C(=O)c2ncccc2Cl)c1 |r|
Show InChI InChI=1S/C23H19Cl2N5O2/c1-13-19-7-14(24)4-5-18(19)22(31)30(13)17-8-15(9-26-10-17)28-16-11-29(12-16)23(32)21-20(25)3-2-6-27-21/h2-10,13,16,28H,11-12H2,1H3/t13-/m1/s1
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n/an/an/an/a 20n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101412
PNG
(US9695152, 33)
Show SMILES Cn1cc(cn1)C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C24H23N7O2/c1-24(2)21-6-15(8-25)4-5-20(21)23(33)31(24)19-7-17(10-26-11-19)28-18-13-30(14-18)22(32)16-9-27-29(3)12-16/h4-7,9-12,18,28H,13-14H2,1-3H3
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n/an/an/an/a 31n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101413
PNG
(US9695152, 34)
Show SMILES Cn1ccnc1C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C24H23N7O2/c1-24(2)20-8-15(10-25)4-5-19(20)22(32)31(24)18-9-16(11-26-12-18)28-17-13-30(14-17)23(33)21-27-6-7-29(21)3/h4-9,11-12,17,28H,13-14H2,1-3H3
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n/an/an/an/a 5n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101416
PNG
(US9695152, 37)
Show SMILES Cc1ccncc1C(=O)N1CCC(CC1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C28H28N6O2/c1-18-6-9-30-17-24(18)26(35)33-10-7-20(8-11-33)32-21-13-22(16-31-15-21)34-27(36)23-5-4-19(14-29)12-25(23)28(34,2)3/h4-6,9,12-13,15-17,20,32H,7-8,10-11H2,1-3H3
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n/an/an/an/a 70n/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))		BDBM101423
PNG
(US9695152, 41)
Show SMILES Cn1ccnc1C(=O)N1CCC(CC1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H27N7O2/c1-26(2)22-12-17(14-27)4-5-21(22)24(34)33(26)20-13-19(15-28-16-20)30-18-6-9-32(10-7-18)25(35)23-29-8-11-31(23)3/h4-5,8,11-13,15-16,18,30H,6-7,9-10H2,1-3H3
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n/an/an/an/a 190n/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))		BDBM101472
PNG
(US9695152, 42)
Show SMILES Cn1cncc1C(=O)N1CCC(CC1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H27N7O2/c1-26(2)22-10-17(12-27)4-5-21(22)24(34)33(26)20-11-19(13-28-14-20)30-18-6-8-32(9-7-18)25(35)23-15-29-16-31(23)3/h4-5,10-11,13-16,18,30H,6-9H2,1-3H3
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n/an/an/an/a 1.06E+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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101380
PNG
(US9695152, 1)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)S(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C21H23ClN4O3S/c1-21(2)19-7-13(22)3-6-18(19)20(27)26(21)16-8-14(9-23-10-16)24-15-11-25(12-15)30(28,29)17-4-5-17/h3,6-10,15,17,24H,4-5,11-12H2,1-2H3
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n/an/an/an/a 9n/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))		BDBM101386
PNG
(US9695152, 7 | US9695152, 8)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CCCN(C2)S(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C23H27ClN4O3S/c1-23(2)21-10-15(24)5-8-20(21)22(29)28(23)18-11-17(12-25-13-18)26-16-4-3-9-27(14-16)32(30,31)19-6-7-19/h5,8,10-13,16,19,26H,3-4,6-7,9,14H2,1-2H3
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n/an/an/an/a>3.00E+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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101388
PNG
(US9695152, 9)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)C(=O)c2ncccc2Cl)c1
Show InChI InChI=1S/C24H21Cl2N5O2/c1-24(2)19-8-14(25)5-6-18(19)22(32)31(24)17-9-15(10-27-11-17)29-16-12-30(13-16)23(33)21-20(26)4-3-7-28-21/h3-11,16,29H,12-13H2,1-2H3
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n/an/an/an/a 7n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101392
PNG
(US9695152, 13)
Show SMILES CC1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)C(=O)c2cnccc2C)c1
Show InChI InChI=1S/C24H22ClN5O2/c1-14-5-6-26-11-22(14)23(31)29-12-18(13-29)28-17-8-19(10-27-9-17)30-15(2)21-7-16(25)3-4-20(21)24(30)32/h3-11,15,18,28H,12-13H2,1-2H3
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n/an/an/an/a 7n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101393
PNG
(US9695152, 14)
Show SMILES CC1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)S(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C20H21ClN4O3S/c1-12-19-6-13(21)2-5-18(19)20(26)25(12)16-7-14(8-22-9-16)23-15-10-24(11-15)29(27,28)17-3-4-17/h2,5-9,12,15,17,23H,3-4,10-11H2,1H3
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n/an/an/an/a 131n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101401
PNG
(US9695152, 22)
Show SMILES Cn1ccnc1C(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C22H21ClN6O2/c1-27-7-5-25-20(27)22(31)28-12-17(13-28)26-16-9-18(11-24-10-16)29-6-4-14-8-15(23)2-3-19(14)21(29)30/h2-3,5,7-11,17,26H,4,6,12-13H2,1H3
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n/an/an/an/a 23n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101402
PNG
(US9695152, 23)
Show SMILES Cc1noc(C)c1C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C24H24ClN5O3/c1-13-21(14(2)33-28-13)23(32)29-11-17(12-29)27-16-8-18(10-26-9-16)30-22(31)19-6-5-15(25)7-20(19)24(30,3)4/h5-10,17,27H,11-12H2,1-4H3
PDB

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n/an/an/an/a 30n/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))		BDBM101402
PNG
(US9695152, 23)
Show SMILES Cc1noc(C)c1C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C24H24ClN5O3/c1-13-21(14(2)33-28-13)23(32)29-11-17(12-29)27-16-8-18(10-26-9-16)30-22(31)19-6-5-15(25)7-20(19)24(30,3)4/h5-10,17,27H,11-12H2,1-4H3
PDB

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n/an/an/an/a 5.95E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101407
PNG
(US9695152, 28)
Show SMILES C[C@@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)C(=O)c2ncccc2Cl)c1 |r|
Show InChI InChI=1S/C23H19Cl2N5O2/c1-13-19-7-14(24)4-5-18(19)22(31)30(13)17-8-15(9-26-10-17)28-16-11-29(12-16)23(32)21-20(25)3-2-6-27-21/h2-10,13,16,28H,11-12H2,1H3/t13-/m0/s1
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n/an/an/an/a 27n/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))		BDBM101408
PNG
(US9695152, 29 | US9695152, 30)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)S(=O)(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C20H21ClN4O3S/c1-12-19-6-13(21)2-5-18(19)20(26)25(12)16-7-14(8-22-9-16)23-15-10-24(11-15)29(27,28)17-3-4-17/h2,5-9,12,15,17,23H,3-4,10-11H2,1H3/t12-/m1/s1
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n/an/an/an/a 5.81E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM101422
PNG
(US9695152, 40)
Show SMILES Cn1cc(cn1)C(=O)N1CCC(CC1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H27N7O2/c1-26(2)23-10-17(12-27)4-5-22(23)25(35)33(26)21-11-20(14-28-15-21)30-19-6-8-32(9-7-19)24(34)18-13-29-31(3)16-18/h4-5,10-11,13-16,19,30H,6-9H2,1-3H3
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n/an/an/an/a 9.57E+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 US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%