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USPatent US9695151

Compile data set for download or QSAR
Found 90 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101311
PNG
(US9695151, 5)
Show SMILES CC(=O)N1CCC(CC1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H25ClN4O2/c1-14(28)26-8-6-16(7-9-26)25-17-11-18(13-24-12-17)27-21(29)19-5-4-15(23)10-20(19)22(27,2)3/h4-5,10-13,16,25H,6-9H2,1-3H3
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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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101340
PNG
(US9695151, 7)
Show SMILES CCS(=O)(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C20H23ClN4O3S/c1-4-29(27,28)24-11-15(12-24)23-14-8-16(10-22-9-14)25-19(26)17-6-5-13(21)7-18(17)20(25,2)3/h5-10,15,23H,4,11-12H2,1-3H3
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n/an/an/an/a 8n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101341
PNG
(US9695151, 8)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)S(C)(=O)=O)c1
Show InChI InChI=1S/C19H21ClN4O3S/c1-19(2)17-6-12(20)4-5-16(17)18(25)24(19)15-7-13(8-21-9-15)22-14-10-23(11-14)28(3,26)27/h4-9,14,22H,10-11H2,1-3H3
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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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101349
PNG
(US9695151, 15)
Show SMILES CC(C)S(=O)(=O)N1CCC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C23H29ClN4O3S/c1-15(2)32(30,31)27-9-8-17(14-27)26(5)18-11-19(13-25-12-18)28-22(29)20-7-6-16(24)10-21(20)23(28,3)4/h6-7,10-13,15,17H,8-9,14H2,1-5H3
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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 US9695151 (2017)


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


(Homo sapiens (Human))		BDBM101349
PNG
(US9695151, 15)
Show SMILES CC(C)S(=O)(=O)N1CCC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C23H29ClN4O3S/c1-15(2)32(30,31)27-9-8-17(14-27)26(5)18-11-19(13-25-12-18)28-22(29)20-7-6-16(24)10-21(20)23(28,3)4/h6-7,10-13,15,17H,8-9,14H2,1-5H3
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n/an/an/an/a 732n/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))		BDBM101352
PNG
(US9695151, 18)
Show SMILES CCCS(=O)(=O)N1CCC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C |@@:11|
Show InChI InChI=1S/C23H29ClN4O3S/c1-5-10-32(30,31)27-9-8-17(15-27)26(4)18-12-19(14-25-13-18)28-22(29)20-7-6-16(24)11-21(20)23(28,2)3/h6-7,11-14,17H,5,8-10,15H2,1-4H3
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n/an/an/an/a 233n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101363
PNG
(US9695151, 29)
Show SMILES CCC(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C20H21ClN4O2/c1-2-19(26)24-11-16(12-24)23-15-8-17(10-22-9-15)25-6-5-13-7-14(21)3-4-18(13)20(25)27/h3-4,7-10,16,23H,2,5-6,11-12H2,1H3
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n/an/an/an/a 178n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101375
PNG
(US9695151, 41)
Show SMILES CCS(=O)(=O)N1CC(C1)Nc1cncc(c1)N1[C@H](C)c2cc(Cl)ccc2C1=O |r|
Show InChI InChI=1S/C19H21ClN4O3S/c1-3-28(26,27)23-10-15(11-23)22-14-7-16(9-21-8-14)24-12(2)18-6-13(20)4-5-17(18)19(24)25/h4-9,12,15,22H,3,10-11H2,1-2H3/t12-/m1/s1
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n/an/an/an/a 39n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101308
PNG
(US9695151, 2)
Show SMILES CN(C1CN(C1)C(C)=O)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C21H23ClN4O2/c1-13(27)25-11-17(12-25)24(4)15-8-16(10-23-9-15)26-20(28)18-6-5-14(22)7-19(18)21(26,2)3/h5-10,17H,11-12H2,1-4H3
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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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101342
PNG
(US9695151, 9)
Show SMILES CCC(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C21H23ClN4O2/c1-4-19(27)25-11-15(12-25)24-14-8-16(10-23-9-14)26-20(28)17-6-5-13(22)7-18(17)21(26,2)3/h5-10,15,24H,4,11-12H2,1-3H3
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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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101345
PNG
(US9695151, 11)
Show SMILES CN(C1CN(C1)S(C)(=O)=O)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C20H23ClN4O3S/c1-20(2)18-7-13(21)5-6-17(18)19(26)25(20)15-8-14(9-22-10-15)23(3)16-11-24(12-16)29(4,27)28/h5-10,16H,11-12H2,1-4H3
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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 11B2, 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
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n/an/an/an/a 0.700n/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))		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
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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))		BDBM101358
PNG
(US9695151, 24 | US9695151, 25)
Show SMILES CCS(=O)(=O)N1CCCC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H27ClN4O3S/c1-4-31(29,30)26-9-5-6-16(14-26)25-17-11-18(13-24-12-17)27-21(28)19-8-7-15(23)10-20(19)22(27,2)3/h7-8,10-13,16,25H,4-6,9,14H2,1-3H3
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n/an/an/an/a 3.80E+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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101360
PNG
(US9695151, 26 | US9695151, 27)
Show SMILES CC(C)S(=O)(=O)N1CCCC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C23H29ClN4O3S/c1-15(2)32(30,31)27-9-5-6-17(14-27)26-18-11-19(13-25-12-18)28-22(29)20-8-7-16(24)10-21(20)23(28,3)4/h7-8,10-13,15,17,26H,5-6,9,14H2,1-4H3
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n/an/an/an/a 1.51E+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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101364
PNG
(US9695151, 30)
Show SMILES CCS(=O)(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C19H21ClN4O3S/c1-2-28(26,27)23-11-16(12-23)22-15-8-17(10-21-9-15)24-6-5-13-7-14(20)3-4-18(13)19(24)25/h3-4,7-10,16,22H,2,5-6,11-12H2,1H3
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n/an/an/an/a 61n/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))		BDBM101366
PNG
(US9695151, 32)
Show SMILES CC(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C19H19ClN4O2/c1-12(25)23-10-16(11-23)22-15-7-17(9-21-8-15)24-5-4-13-6-14(20)2-3-18(13)19(24)26/h2-3,6-9,16,22H,4-5,10-11H2,1H3
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n/an/an/an/a 4.11E+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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101369
PNG
(US9695151, 35)
Show SMILES CC(=O)N1CC2(CC(C2)Nc2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)C1
Show InChI InChI=1S/C23H25ClN4O2/c1-14(29)27-12-23(13-27)8-17(9-23)26-16-7-18(11-25-10-16)28-21(30)19-5-4-15(24)6-20(19)22(28,2)3/h4-7,10-11,17,26H,8-9,12-13H2,1-3H3
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n/an/an/an/a 449n/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))		BDBM101370
PNG
(US9695151, 36)
Show SMILES CCC(=O)N1CC2(CC(C2)Nc2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)C1
Show InChI InChI=1S/C24H27ClN4O2/c1-4-21(30)28-13-24(14-28)9-17(10-24)27-16-8-18(12-26-11-16)29-22(31)19-6-5-15(25)7-20(19)23(29,2)3/h5-8,11-12,17,27H,4,9-10,13-14H2,1-3H3
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n/an/an/an/a 1.54E+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 US9695151 (2017)


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


(Homo sapiens (Human))		BDBM101371
PNG
(US9695151, 37)
Show SMILES CCS(=O)(=O)N1CC2(CC(C2)Nc2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)C1
Show InChI InChI=1S/C23H27ClN4O3S/c1-4-32(30,31)27-13-23(14-27)9-17(10-23)26-16-8-18(12-25-11-16)28-21(29)19-6-5-15(24)7-20(19)22(28,2)3/h5-8,11-12,17,26H,4,9-10,13-14H2,1-3H3
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n/an/an/an/a 7.37E+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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101376
PNG
(US9695151, 42)
Show SMILES CCS(=O)(=O)N1CC(C1)Nc1cncc(c1)N1[C@@H](C)c2cc(Cl)ccc2C1=O |r|
Show InChI InChI=1S/C19H21ClN4O3S/c1-3-28(26,27)23-10-15(11-23)22-14-7-16(9-21-8-14)24-12(2)18-6-13(20)4-5-17(18)19(24)25/h4-9,12,15,22H,3,10-11H2,1-2H3/t12-/m0/s1
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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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101377
PNG
(US9695151, 43)
Show SMILES CCS(=O)(=O)N1CCC(CC1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C23H27N5O3S/c1-4-32(30,31)27-9-7-17(8-10-27)26-18-12-19(15-25-14-18)28-22(29)20-6-5-16(13-24)11-21(20)23(28,2)3/h5-6,11-12,14-15,17,26H,4,7-10H2,1-3H3
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n/an/an/an/a 13n/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))		BDBM101309
PNG
(US9695151, 3 | US9695151, 4)
Show SMILES CCS(=O)(=O)N1CCC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C.CCS(=O)(=O)N1CCC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C |@:10,@@:41|
Show InChI InChI=1S/2C22H27ClN4O3S/c2*1-5-31(29,30)26-9-8-16(14-26)25(4)17-11-18(13-24-12-17)27-21(28)19-7-6-15(23)10-20(19)22(27,2)3/h2*6-7,10-13,16H,5,8-9,14H2,1-4H3
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n/an/an/an/a 124n/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))		BDBM101340
PNG
(US9695151, 7)
Show SMILES CCS(=O)(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C20H23ClN4O3S/c1-4-29(27,28)24-11-15(12-24)23-14-8-16(10-22-9-14)25-19(26)17-6-5-13(21)7-18(17)20(25,2)3/h5-10,15,23H,4,11-12H2,1-3H3
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n/an/an/an/a 1.64E+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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101343
PNG
(US9695151, 10)
Show SMILES CCS(=O)(=O)N1CC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C21H25ClN4O3S/c1-5-30(28,29)25-12-17(13-25)24(4)15-9-16(11-23-10-15)26-20(27)18-7-6-14(22)8-19(18)21(26,2)3/h6-11,17H,5,12-13H2,1-4H3
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n/an/an/an/a 0.5n/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 US9695151 (2017)


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


(Homo sapiens (Human))		BDBM101360
PNG
(US9695151, 26 | US9695151, 27)
Show SMILES CC(C)S(=O)(=O)N1CCCC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C23H29ClN4O3S/c1-15(2)32(30,31)27-9-5-6-17(14-27)26-18-11-19(13-25-12-18)28-22(29)20-8-7-16(24)10-21(20)23(28,3)4/h7-8,10-13,15,17,26H,5-6,9,14H2,1-4H3
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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 US9695151 (2017)


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


(Homo sapiens (Human))		BDBM101360
PNG
(US9695151, 26 | US9695151, 27)
Show SMILES CC(C)S(=O)(=O)N1CCCC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C23H29ClN4O3S/c1-15(2)32(30,31)27-9-5-6-17(14-27)26-18-11-19(13-25-12-18)28-22(29)20-8-7-16(24)10-21(20)23(28,3)4/h7-8,10-13,15,17,26H,5-6,9,14H2,1-4H3
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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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101367
PNG
(US9695151, 33)
Show SMILES CCC(=O)N1CC(C1)Nc1cncc(c1)N1C(C)c2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C20H21ClN4O2/c1-3-19(26)24-10-15(11-24)23-14-7-16(9-22-8-14)25-12(2)18-6-13(21)4-5-17(18)20(25)27/h4-9,12,15,23H,3,10-11H2,1-2H3
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n/an/an/an/a 65n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101372
PNG
(US9695151, 38)
Show SMILES CC(C)S(=O)(=O)N1CC2(CC(C2)Nc2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)C1
Show InChI InChI=1S/C24H29ClN4O3S/c1-15(2)33(31,32)28-13-24(14-28)9-18(10-24)27-17-8-19(12-26-11-17)29-22(30)20-6-5-16(25)7-21(20)23(29,3)4/h5-8,11-12,15,18,27H,9-10,13-14H2,1-4H3
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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 US9695151 (2017)


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


(Homo sapiens (Human))		BDBM101372
PNG
(US9695151, 38)
Show SMILES CC(C)S(=O)(=O)N1CC2(CC(C2)Nc2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)C1
Show InChI InChI=1S/C24H29ClN4O3S/c1-15(2)33(31,32)28-13-24(14-28)9-18(10-24)27-17-8-19(12-26-11-17)29-22(30)20-6-5-16(25)7-21(20)23(29,3)4/h5-8,11-12,15,18,27H,9-10,13-14H2,1-4H3
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n/an/an/an/a 8.24E+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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101373
PNG
(US9695151, 39)
Show SMILES CCC(=O)N1CC(C1)Nc1cncc(c1)N1[C@H](C)c2cc(Cl)ccc2C1=O |r|
Show InChI InChI=1S/C20H21ClN4O2/c1-3-19(26)24-10-15(11-24)23-14-7-16(9-22-8-14)25-12(2)18-6-13(21)4-5-17(18)20(25)27/h4-9,12,15,23H,3,10-11H2,1-2H3/t12-/m1/s1
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n/an/an/an/a 92n/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))		BDBM101373
PNG
(US9695151, 39)
Show SMILES CCC(=O)N1CC(C1)Nc1cncc(c1)N1[C@H](C)c2cc(Cl)ccc2C1=O |r|
Show InChI InChI=1S/C20H21ClN4O2/c1-3-19(26)24-10-15(11-24)23-14-7-16(9-22-8-14)25-12(2)18-6-13(21)4-5-17(18)20(25)27/h4-9,12,15,23H,3,10-11H2,1-2H3/t12-/m1/s1
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n/an/an/an/a 1.08E+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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101307
PNG
(US9695151, 1)
Show SMILES CC(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C20H21ClN4O2/c1-12(26)24-10-15(11-24)23-14-7-16(9-22-8-14)25-19(27)17-5-4-13(21)6-18(17)20(25,2)3/h4-9,15,23H,10-11H2,1-3H3
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n/an/an/an/a 38n/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))		BDBM101309
PNG
(US9695151, 3 | US9695151, 4)
Show SMILES CCS(=O)(=O)N1CCC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C.CCS(=O)(=O)N1CCC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C |@:10,@@:41|
Show InChI InChI=1S/2C22H27ClN4O3S/c2*1-5-31(29,30)26-9-8-16(14-26)25(4)17-11-18(13-24-12-17)27-21(28)19-7-6-15(23)10-20(19)22(27,2)3/h2*6-7,10-13,16H,5,8-9,14H2,1-4H3
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n/an/an/an/a 188n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101346
PNG
(US9695151, 12)
Show SMILES CCC(=O)N1CC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H25ClN4O2/c1-5-20(28)26-12-17(13-26)25(4)15-9-16(11-24-10-15)27-21(29)18-7-6-14(23)8-19(18)22(27,2)3/h6-11,17H,5,12-13H2,1-4H3
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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 US9695151 (2017)


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


(Homo sapiens (Human))		BDBM101346
PNG
(US9695151, 12)
Show SMILES CCC(=O)N1CC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H25ClN4O2/c1-5-20(28)26-12-17(13-26)25(4)15-9-16(11-24-10-15)27-21(29)18-7-6-14(23)8-19(18)22(27,2)3/h6-11,17H,5,12-13H2,1-4H3
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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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
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
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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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101358
PNG
(US9695151, 24 | US9695151, 25)
Show SMILES CCS(=O)(=O)N1CCCC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H27ClN4O3S/c1-4-31(29,30)26-9-5-6-16(14-26)25-17-11-18(13-24-12-17)27-21(28)19-8-7-15(23)10-20(19)22(27,2)3/h7-8,10-13,16,25H,4-6,9,14H2,1-3H3
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n/an/an/an/a 443n/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))		BDBM101362
PNG
(US9695151, 28)
Show SMILES CCC(=O)N1CC(C1)Nc1cncc(c1)N1Cc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C19H19ClN4O2/c1-2-18(25)23-10-15(11-23)22-14-6-16(8-21-7-14)24-9-12-5-13(20)3-4-17(12)19(24)26/h3-8,15,22H,2,9-11H2,1H3
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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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101365
PNG
(US9695151, 31)
Show SMILES CC(C)S(=O)(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C20H23ClN4O3S/c1-13(2)29(27,28)24-11-17(12-24)23-16-8-18(10-22-9-16)25-6-5-14-7-15(21)3-4-19(14)20(25)26/h3-4,7-10,13,17,23H,5-6,11-12H2,1-2H3
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n/an/an/an/a 34n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101374
PNG
(US9695151, 40)
Show SMILES CCC(=O)N1CC(C1)Nc1cncc(c1)N1[C@@H](C)c2cc(Cl)ccc2C1=O |r|
Show InChI InChI=1S/C20H21ClN4O2/c1-3-19(26)24-10-15(11-24)23-14-7-16(9-22-8-14)25-12(2)18-6-13(21)4-5-17(18)20(25)27/h4-9,12,15,23H,3,10-11H2,1-2H3/t12-/m0/s1
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n/an/an/an/a 154n/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))		BDBM101377
PNG
(US9695151, 43)
Show SMILES CCS(=O)(=O)N1CCC(CC1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C23H27N5O3S/c1-4-32(30,31)27-9-7-17(8-10-27)26-18-12-19(15-25-14-18)28-22(29)20-6-5-16(13-24)11-21(20)23(28,2)3/h5-6,11-12,14-15,17,26H,4,7-10H2,1-3H3
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n/an/an/an/a 4.57E+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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101309
PNG
(US9695151, 3 | US9695151, 4)
Show SMILES CCS(=O)(=O)N1CCC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C.CCS(=O)(=O)N1CCC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C |@:10,@@:41|
Show InChI InChI=1S/2C22H27ClN4O3S/c2*1-5-31(29,30)26-9-8-16(14-26)25(4)17-11-18(13-24-12-17)27-21(28)19-7-6-15(23)10-20(19)22(27,2)3/h2*6-7,10-13,16H,5,8-9,14H2,1-4H3
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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 US9695151 (2017)


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


(Homo sapiens (Human))		BDBM101315
PNG
(US9695151, 6)
Show SMILES CCS(=O)(=O)N1CCC(CC1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H27ClN4O3S/c1-4-31(29,30)26-9-7-16(8-10-26)25-17-12-18(14-24-13-17)27-21(28)19-6-5-15(23)11-20(19)22(27,2)3/h5-6,11-14,16,25H,4,7-10H2,1-3H3
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n/an/an/an/a 1.54E+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))		BDBM101347
PNG
(US9695151, 13)
Show SMILES CC(C)S(=O)(=O)N1CC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H27ClN4O3S/c1-14(2)31(29,30)26-12-18(13-26)25(5)16-9-17(11-24-10-16)27-21(28)19-7-6-15(23)8-20(19)22(27,3)4/h6-11,14,18H,12-13H2,1-5H3
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n/an/an/an/a 37n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101351
PNG
(US9695151, 17)
Show SMILES CCCS(=O)(=O)N1CCC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C |@:11|
Show InChI InChI=1S/C23H29ClN4O3S/c1-5-10-32(30,31)27-9-8-17(15-27)26(4)18-12-19(14-25-13-18)28-22(29)20-7-6-16(24)11-21(20)23(28,2)3/h6-7,11-14,17H,5,8-10,15H2,1-4H3
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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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101352
PNG
(US9695151, 18)
Show SMILES CCCS(=O)(=O)N1CCC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C |@@:11|
Show InChI InChI=1S/C23H29ClN4O3S/c1-5-10-32(30,31)27-9-8-17(15-27)26(4)18-12-19(14-25-13-18)28-22(29)20-7-6-16(24)11-21(20)23(28,2)3/h6-7,11-14,17H,5,8-10,15H2,1-4H3
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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 US9695151 (2017)


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


(Homo sapiens (Human))		BDBM101356
PNG
(US9695151, 22 | US9695151, 23)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CCCN(C2)S(C)(=O)=O)c1
Show InChI InChI=1S/C21H25ClN4O3S/c1-21(2)19-9-14(22)6-7-18(19)20(27)26(21)17-10-16(11-23-12-17)24-15-5-4-8-25(13-15)30(3,28)29/h6-7,9-12,15,24H,4-5,8,13H2,1-3H3
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n/an/an/an/a 1.82E+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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101360
PNG
(US9695151, 26 | US9695151, 27)
Show SMILES CC(C)S(=O)(=O)N1CCCC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C23H29ClN4O3S/c1-15(2)32(30,31)27-9-5-6-17(14-27)26-18-11-19(13-25-12-18)28-22(29)20-8-7-16(24)10-21(20)23(28,3)4/h7-8,10-13,15,17,26H,5-6,9,14H2,1-4H3
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n/an/an/an/a 2.36E+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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101368
PNG
(US9695151, 34)
Show SMILES CCS(=O)(=O)N1CC(C1)Nc1cncc(c1)N1C(C)c2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C19H21ClN4O3S/c1-3-28(26,27)23-10-15(11-23)22-14-7-16(9-21-8-14)24-12(2)18-6-13(20)4-5-17(18)19(24)25/h4-9,12,15,22H,3,10-11H2,1-2H3
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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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101370
PNG
(US9695151, 36)
Show SMILES CCC(=O)N1CC2(CC(C2)Nc2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)C1
Show InChI InChI=1S/C24H27ClN4O2/c1-4-21(30)28-13-24(14-28)9-17(10-24)27-16-8-18(12-26-11-16)29-22(31)19-6-5-15(25)7-20(19)23(29,2)3/h5-8,11-12,17,27H,4,9-10,13-14H2,1-3H3
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n/an/an/an/a 44n/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))		BDBM101341
PNG
(US9695151, 8)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)S(C)(=O)=O)c1
Show InChI InChI=1S/C19H21ClN4O3S/c1-19(2)17-6-12(20)4-5-16(17)18(25)24(19)15-7-13(8-21-9-15)22-14-10-23(11-14)28(3,26)27/h4-9,14,22H,10-11H2,1-3H3
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n/an/an/an/a 2.80E+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))		BDBM101342
PNG
(US9695151, 9)
Show SMILES CCC(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C21H23ClN4O2/c1-4-19(27)25-11-15(12-25)24-14-8-16(10-23-9-14)26-20(28)17-6-5-13(22)7-18(17)21(26,2)3/h5-10,15,24H,4,11-12H2,1-3H3
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n/an/an/an/a 2.56E+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))		BDBM101343
PNG
(US9695151, 10)
Show SMILES CCS(=O)(=O)N1CC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C21H25ClN4O3S/c1-5-30(28,29)25-12-17(13-25)24(4)15-9-16(11-23-10-15)26-20(27)18-7-6-14(22)8-19(18)21(26,2)3/h6-11,17H,5,12-13H2,1-4H3
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n/an/an/an/a 39n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101348
PNG
(US9695151, 14)
Show SMILES CCCS(=O)(=O)N1CC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H27ClN4O3S/c1-5-8-31(29,30)26-13-18(14-26)25(4)16-10-17(12-24-11-16)27-21(28)19-7-6-15(23)9-20(19)22(27,2)3/h6-7,9-12,18H,5,8,13-14H2,1-4H3
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n/an/an/an/a 0.600n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101356
PNG
(US9695151, 22 | US9695151, 23)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CCCN(C2)S(C)(=O)=O)c1
Show InChI InChI=1S/C21H25ClN4O3S/c1-21(2)19-9-14(22)6-7-18(19)20(27)26(21)17-10-16(11-23-12-17)24-15-5-4-8-25(13-15)30(3,28)29/h6-7,9-12,15,24H,4-5,8,13H2,1-3H3
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n/an/an/an/a 149n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101358
PNG
(US9695151, 24 | US9695151, 25)
Show SMILES CCS(=O)(=O)N1CCCC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H27ClN4O3S/c1-4-31(29,30)26-9-5-6-16(14-26)25-17-11-18(13-24-12-17)27-21(28)19-8-7-15(23)10-20(19)22(27,2)3/h7-8,10-13,16,25H,4-6,9,14H2,1-3H3
PDB

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n/an/an/an/a 352n/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))		BDBM101358
PNG
(US9695151, 24 | US9695151, 25)
Show SMILES CCS(=O)(=O)N1CCCC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H27ClN4O3S/c1-4-31(29,30)26-9-5-6-16(14-26)25-17-11-18(13-24-12-17)27-21(28)19-8-7-15(23)10-20(19)22(27,2)3/h7-8,10-13,16,25H,4-6,9,14H2,1-3H3
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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 US9695151 (2017)


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


(Homo sapiens (Human))		BDBM101365
PNG
(US9695151, 31)
Show SMILES CC(C)S(=O)(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C20H23ClN4O3S/c1-13(2)29(27,28)24-11-17(12-24)23-16-8-18(10-22-9-16)25-6-5-14-7-15(21)3-4-19(14)20(25)26/h3-4,7-10,13,17,23H,5-6,11-12H2,1-2H3
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n/an/an/an/a 3.84E+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))		BDBM101367
PNG
(US9695151, 33)
Show SMILES CCC(=O)N1CC(C1)Nc1cncc(c1)N1C(C)c2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C20H21ClN4O2/c1-3-19(26)24-10-15(11-24)23-14-7-16(9-22-8-14)25-12(2)18-6-13(21)4-5-17(18)20(25)27/h4-9,12,15,23H,3,10-11H2,1-2H3
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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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101378
PNG
(US9695151, 44)
Show SMILES CCC(=O)N1CCC(CC1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C24H27N5O2/c1-4-22(30)28-9-7-17(8-10-28)27-18-12-19(15-26-14-18)29-23(31)20-6-5-16(13-25)11-21(20)24(29,2)3/h5-6,11-12,14-15,17,27H,4,7-10H2,1-3H3
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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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101309
PNG
(US9695151, 3 | US9695151, 4)
Show SMILES CCS(=O)(=O)N1CCC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C.CCS(=O)(=O)N1CCC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C |@:10,@@:41|
Show InChI InChI=1S/2C22H27ClN4O3S/c2*1-5-31(29,30)26-9-8-16(14-26)25(4)17-11-18(13-24-12-17)27-21(28)19-7-6-15(23)10-20(19)22(27,2)3/h2*6-7,10-13,16H,5,8-9,14H2,1-4H3
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n/an/an/an/a 0.600n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101315
PNG
(US9695151, 6)
Show SMILES CCS(=O)(=O)N1CCC(CC1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H27ClN4O3S/c1-4-31(29,30)26-9-7-16(8-10-26)25-17-12-18(14-24-13-17)27-21(28)19-6-5-15(23)11-20(19)22(27,2)3/h5-6,11-14,16,25H,4,7-10H2,1-3H3
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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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101350
PNG
(US9695151, 16)
Show SMILES CC(C)S(=O)(=O)N1CCC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C |@@:11|
Show InChI InChI=1S/C23H29ClN4O3S/c1-15(2)32(30,31)27-9-8-17(14-27)26(5)18-11-19(13-25-12-18)28-22(29)20-7-6-16(24)10-21(20)23(28,3)4/h6-7,10-13,15,17H,8-9,14H2,1-5H3
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n/an/an/an/a 0.5n/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 US9695151 (2017)


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


(Homo sapiens (Human))		BDBM101350
PNG
(US9695151, 16)
Show SMILES CC(C)S(=O)(=O)N1CCC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C |@@:11|
Show InChI InChI=1S/C23H29ClN4O3S/c1-15(2)32(30,31)27-9-8-17(14-27)26(5)18-11-19(13-25-12-18)28-22(29)20-7-6-16(24)10-21(20)23(28,3)4/h6-7,10-13,15,17H,8-9,14H2,1-5H3
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n/an/an/an/a 117n/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))		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
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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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, 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
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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))		BDBM101356
PNG
(US9695151, 22 | US9695151, 23)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CCCN(C2)S(C)(=O)=O)c1
Show InChI InChI=1S/C21H25ClN4O3S/c1-21(2)19-9-14(22)6-7-18(19)20(27)26(21)17-10-16(11-23-12-17)24-15-5-4-8-25(13-15)30(3,28)29/h6-7,9-12,15,24H,4-5,8,13H2,1-3H3
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n/an/an/an/a 2.72E+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 US9695151 (2017)


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


(Homo sapiens (Human))		BDBM101369
PNG
(US9695151, 35)
Show SMILES CC(=O)N1CC2(CC(C2)Nc2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)C1
Show InChI InChI=1S/C23H25ClN4O2/c1-14(29)27-12-23(13-27)8-17(9-23)26-16-7-18(11-25-10-16)28-21(30)19-5-4-15(24)6-20(19)22(28,2)3/h4-7,10-11,17,26H,8-9,12-13H2,1-3H3
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n/an/an/an/a 6.85E+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))		BDBM101374
PNG
(US9695151, 40)
Show SMILES CCC(=O)N1CC(C1)Nc1cncc(c1)N1[C@@H](C)c2cc(Cl)ccc2C1=O |r|
Show InChI InChI=1S/C20H21ClN4O2/c1-3-19(26)24-10-15(11-24)23-14-7-16(9-22-8-14)25-12(2)18-6-13(21)4-5-17(18)20(25)27/h4-9,12,15,23H,3,10-11H2,1-2H3/t12-/m0/s1
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n/an/an/an/a 4.18E+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))		BDBM101375
PNG
(US9695151, 41)
Show SMILES CCS(=O)(=O)N1CC(C1)Nc1cncc(c1)N1[C@H](C)c2cc(Cl)ccc2C1=O |r|
Show InChI InChI=1S/C19H21ClN4O3S/c1-3-28(26,27)23-10-15(11-23)22-14-7-16(9-21-8-14)24-12(2)18-6-13(20)4-5-17(18)19(24)25/h4-9,12,15,22H,3,10-11H2,1-2H3/t12-/m1/s1
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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 US9695151 (2017)


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


(Homo sapiens (Human))		BDBM101376
PNG
(US9695151, 42)
Show SMILES CCS(=O)(=O)N1CC(C1)Nc1cncc(c1)N1[C@@H](C)c2cc(Cl)ccc2C1=O |r|
Show InChI InChI=1S/C19H21ClN4O3S/c1-3-28(26,27)23-10-15(11-23)22-14-7-16(9-21-8-14)24-12(2)18-6-13(20)4-5-17(18)19(24)25/h4-9,12,15,22H,3,10-11H2,1-2H3/t12-/m0/s1
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n/an/an/an/a 1.07E+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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101379
PNG
(US9695151, 45)
Show SMILES CCC(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C22H23N5O2/c1-4-20(28)26-12-16(13-26)25-15-8-17(11-24-10-15)27-21(29)18-6-5-14(9-23)7-19(18)22(27,2)3/h5-8,10-11,16,25H,4,12-13H2,1-3H3
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n/an/an/an/a 122n/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))		BDBM101307
PNG
(US9695151, 1)
Show SMILES CC(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C20H21ClN4O2/c1-12(26)24-10-15(11-24)23-14-7-16(9-22-8-14)25-19(27)17-5-4-13(21)6-18(17)20(25,2)3/h4-9,15,23H,10-11H2,1-3H3
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n/an/an/an/a 5.84E+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))		BDBM101308
PNG
(US9695151, 2)
Show SMILES CN(C1CN(C1)C(C)=O)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C21H23ClN4O2/c1-13(27)25-11-17(12-25)24(4)15-8-16(10-23-9-15)26-20(28)18-6-5-14(22)7-19(18)21(26,2)3/h5-10,17H,11-12H2,1-4H3
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n/an/an/an/a 552n/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))		BDBM101311
PNG
(US9695151, 5)
Show SMILES CC(=O)N1CCC(CC1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H25ClN4O2/c1-14(28)26-8-6-16(7-9-26)25-17-11-18(13-24-12-17)27-21(29)19-5-4-15(23)10-20(19)22(27,2)3/h4-5,10-13,16,25H,6-9H2,1-3H3
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n/an/an/an/a 2.45E+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))		BDBM101345
PNG
(US9695151, 11)
Show SMILES CN(C1CN(C1)S(C)(=O)=O)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C20H23ClN4O3S/c1-20(2)18-7-13(21)5-6-17(18)19(26)25(20)15-8-14(9-22-10-15)23(3)16-11-24(12-16)29(4,27)28/h5-10,16H,11-12H2,1-4H3
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n/an/an/an/a 50n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101347
PNG
(US9695151, 13)
Show SMILES CC(C)S(=O)(=O)N1CC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H27ClN4O3S/c1-14(2)31(29,30)26-12-18(13-26)25(5)16-9-17(11-24-10-16)27-21(28)19-7-6-15(23)8-20(19)22(27,3)4/h6-11,14,18H,12-13H2,1-5H3
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n/an/an/an/a 0.5n/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 US9695151 (2017)


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


(Homo sapiens (Human))		BDBM101348
PNG
(US9695151, 14)
Show SMILES CCCS(=O)(=O)N1CC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H27ClN4O3S/c1-5-8-31(29,30)26-13-18(14-26)25(4)16-10-17(12-24-11-16)27-21(28)19-7-6-15(23)9-20(19)22(27,2)3/h6-7,9-12,18H,5,8,13-14H2,1-4H3
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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 US9695151 (2017)


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


(Homo sapiens (Human))		BDBM101351
PNG
(US9695151, 17)
Show SMILES CCCS(=O)(=O)N1CCC(C1)N(C)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C |@:11|
Show InChI InChI=1S/C23H29ClN4O3S/c1-5-10-32(30,31)27-9-8-17(15-27)26(4)18-12-19(14-25-13-18)28-22(29)20-7-6-16(24)11-21(20)23(28,2)3/h6-7,11-14,17H,5,8-10,15H2,1-4H3
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n/an/an/an/a 129n/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 11B2, 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
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n/an/an/an/a 0.800n/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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101356
PNG
(US9695151, 22 | US9695151, 23)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CCCN(C2)S(C)(=O)=O)c1
Show InChI InChI=1S/C21H25ClN4O3S/c1-21(2)19-9-14(22)6-7-18(19)20(27)26(21)17-10-16(11-23-12-17)24-15-5-4-8-25(13-15)30(3,28)29/h6-7,9-12,15,24H,4-5,8,13H2,1-3H3
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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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101362
PNG
(US9695151, 28)
Show SMILES CCC(=O)N1CC(C1)Nc1cncc(c1)N1Cc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C19H19ClN4O2/c1-2-18(25)23-10-15(11-23)22-14-6-16(8-21-7-14)24-9-12-5-13(20)3-4-17(12)19(24)26/h3-8,15,22H,2,9-11H2,1H3
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n/an/an/an/a 954n/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))		BDBM101363
PNG
(US9695151, 29)
Show SMILES CCC(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C20H21ClN4O2/c1-2-19(26)24-11-16(12-24)23-15-8-17(10-22-9-15)25-6-5-13-7-14(21)3-4-18(13)20(25)27/h3-4,7-10,16,23H,2,5-6,11-12H2,1H3
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n/an/an/an/a 2.37E+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 US9695151 (2017)


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


(Homo sapiens (Human))		BDBM101364
PNG
(US9695151, 30)
Show SMILES CCS(=O)(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C19H21ClN4O3S/c1-2-28(26,27)23-11-16(12-23)22-15-8-17(10-21-9-15)24-6-5-13-7-14(20)3-4-18(13)19(24)25/h3-4,7-10,16,22H,2,5-6,11-12H2,1H3
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n/an/an/an/a 1.54E+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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101366
PNG
(US9695151, 32)
Show SMILES CC(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C19H19ClN4O2/c1-12(25)23-10-16(11-23)22-15-7-17(9-21-8-15)24-5-4-13-6-14(20)2-3-18(13)19(24)26/h2-3,6-9,16,22H,4-5,10-11H2,1H3
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n/an/an/an/a 215n/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))		BDBM101368
PNG
(US9695151, 34)
Show SMILES CCS(=O)(=O)N1CC(C1)Nc1cncc(c1)N1C(C)c2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C19H21ClN4O3S/c1-3-28(26,27)23-10-15(11-23)22-14-7-16(9-21-8-14)24-12(2)18-6-13(20)4-5-17(18)19(24)25/h4-9,12,15,22H,3,10-11H2,1-2H3
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n/an/an/an/a 4.53E+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 11B2, mitochondrial


(Homo sapiens (Human))		BDBM101371
PNG
(US9695151, 37)
Show SMILES CCS(=O)(=O)N1CC2(CC(C2)Nc2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)C1
Show InChI InChI=1S/C23H27ClN4O3S/c1-4-32(30,31)27-13-23(14-27)9-17(10-23)26-16-8-18(12-25-11-16)28-21(29)19-6-5-15(24)7-20(19)22(28,2)3/h5-8,11-12,17,26H,4,9-10,13-14H2,1-3H3
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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 US9695151 (2017)


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


(Homo sapiens (Human))		BDBM101378
PNG
(US9695151, 44)
Show SMILES CCC(=O)N1CCC(CC1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C24H27N5O2/c1-4-22(30)28-9-7-17(8-10-28)27-18-12-19(15-26-14-18)29-23(31)20-6-5-16(13-25)11-21(20)24(29,2)3/h5-6,11-12,14-15,17,27H,4,7-10H2,1-3H3
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n/an/an/an/a 6.99E+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))		BDBM101379
PNG
(US9695151, 45)
Show SMILES CCC(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C22H23N5O2/c1-4-20(28)26-12-16(13-26)25-15-8-17(11-24-10-15)27-21(29)18-6-5-14(9-23)7-19(18)22(27,2)3/h5-8,10-11,16,25H,4,12-13H2,1-3H3
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n/an/an/an/a 5.93E+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
* indicates data uncertainty>20%