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Patent code US9187429

Compile Data Set for Download or QSAR

Found 211 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))		BDBM191903
PNG
(US9187429, 36 | US9187429, 37 | US9187429, 38)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)
PDB

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n/an/an/an/a 3.14E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM191915
PNG
(US9187429, 52 | US9187429, 53 | US9187429, 54)
Show SMILES C[C@@H](O)C(=O)NC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C18H17F3N2O2/c1-10(24)17(25)23-16-7-6-13-14(8-22-9-15(13)16)11-2-4-12(5-3-11)18(19,20)21/h2-5,8-10,16,24H,6-7H2,1H3,(H,23,25)/t10-,16?/m1/s1
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n/an/an/an/a 3.71E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


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

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



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


(Homo sapiens (Human))		BDBM191929
PNG
(US9187429, 71 | US9187429, 72 | US9187429, 73)
Show SMILES CCS(=O)(=O)NC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H16F4N2O2S/c1-2-26(24,25)23-16-6-4-11-12(8-22-9-13(11)16)10-3-5-14(15(18)7-10)17(19,20)21/h3,5,7-9,16,23H,2,4,6H2,1H3
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n/an/an/an/a 3.02E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


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

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



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


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



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


(Homo sapiens (Human))		BDBM191945
PNG
(US9187429, 90)
Show SMILES CCC(=O)NC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C18H16F4N2O/c1-2-17(25)24-16-6-4-11-12(8-23-9-13(11)16)10-3-5-14(15(19)7-10)18(20,21)22/h3,5,7-9,16H,2,4,6H2,1H3,(H,24,25)
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n/an/an/an/a 1.90E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


(Homo sapiens (Human))		BDBM191947
PNG
(US9187429, 92)
Show SMILES CCC(=O)OC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C18H15F4NO2/c1-2-17(24)25-16-6-4-11-12(8-23-9-13(11)16)10-3-5-14(15(19)7-10)18(20,21)22/h3,5,7-9,16H,2,4,6H2,1H3
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n/an/an/an/a 441n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


(Homo sapiens (Human))		BDBM191883
PNG
(US9187429, 9)
Show SMILES CC(C)C(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H21N3O/c1-13(2)20(24)23-19-5-3-4-16-17(11-22-12-18(16)19)15-8-6-14(10-21)7-9-15/h6-9,11-13,19H,3-5H2,1-2H3,(H,23,24)
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n/an/an/an/a 4.19E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


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

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n/an/an/an/a 31n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


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

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n/an/an/an/a 21n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


(Homo sapiens (Human))		BDBM191895
PNG
(US9187429, 24 | US9187429, 25 | US9187429, 26)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2O/c1-2-18(22)21-17-5-3-4-14-15(10-20-11-16(14)17)12-6-8-13(19)9-7-12/h6-11,17H,2-5H2,1H3,(H,21,22)
PDB

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n/an/an/an/a 503n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


(Homo sapiens (Human))		BDBM191897
PNG
(US9187429, 27 | US9187429, 28 | US9187429, 29)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(F)c(C)c1
Show InChI InChI=1S/C19H21FN2O/c1-3-19(23)22-18-6-4-5-14-15(10-21-11-16(14)18)13-7-8-17(20)12(2)9-13/h7-11,18H,3-6H2,1-2H3,(H,22,23)
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n/an/an/an/a 625n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


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

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



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191895
PNG
(US9187429, 24 | US9187429, 25 | US9187429, 26)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2O/c1-2-18(22)21-17-5-3-4-14-15(10-20-11-16(14)17)12-6-8-13(19)9-7-12/h6-11,17H,2-5H2,1H3,(H,21,22)
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n/an/an/an/a 467n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191909
PNG
(US9187429, 44)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(F)c(F)c1
Show InChI InChI=1S/C18H18F2N2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)
PDB

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n/an/an/an/a 47n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191913
PNG
(US9187429, 49 | US9187429, 50 | US9187429, 51)
Show SMILES CCC(=O)NC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O/c1-2-17(24)23-16-8-7-13-14(9-22-10-15(13)16)11-3-5-12(6-4-11)18(19,20)21/h3-6,9-10,16H,2,7-8H2,1H3,(H,23,24)
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n/an/an/an/a 25n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191915
PNG
(US9187429, 52 | US9187429, 53 | US9187429, 54)
Show SMILES C[C@@H](O)C(=O)NC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C18H17F3N2O2/c1-10(24)17(25)23-16-7-6-13-14(8-22-9-15(13)16)11-2-4-12(5-3-11)18(19,20)21/h2-5,8-10,16,24H,6-7H2,1H3,(H,23,25)/t10-,16?/m1/s1
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n/an/an/an/a 9.10E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191923
PNG
(US9187429, 64 | US9187429, 65 | US9187429, 66)
Show SMILES CCS(=O)(=O)NC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O2S/c1-2-25(23,24)22-16-8-7-13-14(9-21-10-15(13)16)11-3-5-12(6-4-11)17(18,19)20/h3-6,9-10,16,22H,2,7-8H2,1H3
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n/an/an/an/a 1.63E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191923
PNG
(US9187429, 64 | US9187429, 65 | US9187429, 66)
Show SMILES CCS(=O)(=O)NC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O2S/c1-2-25(23,24)22-16-8-7-13-14(9-21-10-15(13)16)11-3-5-12(6-4-11)17(18,19)20/h3-6,9-10,16,22H,2,7-8H2,1H3
PDB

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n/an/an/an/a 280n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191927
PNG
(US9187429, 69)
Show SMILES CCC(=O)N[C@@H]1[C@@H](C)CCc2c1cncc2-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H21F3N2O/c1-3-18(26)25-19-12(2)4-9-15-16(10-24-11-17(15)19)13-5-7-14(8-6-13)20(21,22)23/h5-8,10-12,19H,3-4,9H2,1-2H3,(H,25,26)/t12-,19+/m0/s1
PDB

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n/an/an/an/a 11n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191939
PNG
(US9187429, 82)
Show SMILES OC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C15H11F4NO/c16-13-5-8(1-3-12(13)15(17,18)19)10-6-20-7-11-9(10)2-4-14(11)21/h1,3,5-7,14,21H,2,4H2
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n/an/an/an/a 5.20n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191940
PNG
(US9187429, 83)
Show SMILES OC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H12F3NO/c16-15(17,18)10-3-1-9(2-4-10)12-7-19-8-13-11(12)5-6-14(13)20/h1-4,7-8,14,20H,5-6H2
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n/an/an/an/a 16.9n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191948
PNG
(US9187429, 93)
Show SMILES NC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N2/c16-15(17,18)10-3-1-9(2-4-10)12-7-20-8-13-11(12)5-6-14(13)19/h1-4,7-8,14H,5-6,19H2
PDB

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n/an/an/an/a 86.3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191949
PNG
(US9187429, 94)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cncc2C(CCc12)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C18H17F3N2O2S/c19-18(20,21)12-3-1-11(2-4-12)15-9-22-10-16-14(15)7-8-17(16)23-26(24,25)13-5-6-13/h1-4,9-10,13,17,23H,5-8H2
PDB

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n/an/an/an/a 148n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191953
PNG
(US9187429, 98)
Show SMILES COC(=O)COC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H16F3NO3/c1-24-17(23)10-25-16-7-6-13-14(8-22-9-15(13)16)11-2-4-12(5-3-11)18(19,20)21/h2-5,8-9,16H,6-7,10H2,1H3
PDB

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n/an/an/an/a 19.6n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191962
PNG
(US9187429, 108 | US9187429, 109)
Show SMILES CC1(C)Cc2c(cncc2-c2ccc(c(F)c2)C(F)(F)F)C1O
Show InChI InChI=1S/C17H15F4NO/c1-16(2)6-10-11(7-22-8-12(10)15(16)23)9-3-4-13(14(18)5-9)17(19,20)21/h3-5,7-8,15,23H,6H2,1-2H3
PDB

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n/an/an/an/a 3.10n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191933
PNG
(US9187429, 76)
Show SMILES CS(=O)(=O)N[C@@H]1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F |r|
Show InChI InChI=1S/C17H16F4N2O2S/c1-26(24,25)23-16-4-2-3-11-13(8-22-9-14(11)16)12-6-5-10(7-15(12)18)17(19,20)21/h5-9,16,23H,2-4H2,1H3/t16-/m1/s1
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n/an/an/an/a 119n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191946
PNG
(US9187429, 91)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1cncc2C(CCc12)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C18H16F4N2O2S/c19-16-7-10(1-5-15(16)18(20,21)22)13-8-23-9-14-12(13)4-6-17(14)24-27(25,26)11-2-3-11/h1,5,7-9,11,17,24H,2-4,6H2
PDB

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n/an/an/an/a 301n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


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

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n/an/an/an/a 4.60n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


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

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n/an/an/an/a 1.01E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial


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

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



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


(Homo sapiens (Human))		BDBM191915
PNG
(US9187429, 52 | US9187429, 53 | US9187429, 54)
Show SMILES C[C@@H](O)C(=O)NC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C18H17F3N2O2/c1-10(24)17(25)23-16-7-6-13-14(8-22-9-15(13)16)11-2-4-12(5-3-11)18(19,20)21/h2-5,8-10,16,24H,6-7H2,1H3,(H,23,25)/t10-,16?/m1/s1
PDB

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n/an/an/an/a 3.17E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


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

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n/an/an/an/a 156n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


(Homo sapiens (Human))		BDBM191935
PNG
(US9187429, 78)
Show SMILES CC(=O)N[C@@H]1CCCc2c1cncc2-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C18H17N3O/c1-12(22)21-18-4-2-3-15-16(10-20-11-17(15)18)14-7-5-13(9-19)6-8-14/h5-8,10-11,18H,2-4H2,1H3,(H,21,22)/t18-/m1/s1
PDB

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n/an/an/an/a 276n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


(Homo sapiens (Human))		BDBM191942
PNG
(US9187429, 85 | US9187429, 86)
Show SMILES CC1(C)Cc2c(cncc2-c2ccc(cc2)C(F)(F)F)C1O
Show InChI InChI=1S/C17H16F3NO/c1-16(2)7-12-13(8-21-9-14(12)15(16)22)10-3-5-11(6-4-10)17(18,19)20/h3-6,8-9,15,22H,7H2,1-2H3
PDB

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n/an/an/an/a 2.70E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


(Homo sapiens (Human))		BDBM191942
PNG
(US9187429, 85 | US9187429, 86)
Show SMILES CC1(C)Cc2c(cncc2-c2ccc(cc2)C(F)(F)F)C1O
Show InChI InChI=1S/C17H16F3NO/c1-16(2)7-12-13(8-21-9-14(12)15(16)22)10-3-5-11(6-4-10)17(18,19)20/h3-6,8-9,15,22H,7H2,1-2H3
PDB

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n/an/an/an/a 1.64E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


(Homo sapiens (Human))		BDBM191949
PNG
(US9187429, 94)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cncc2C(CCc12)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C18H17F3N2O2S/c19-18(20,21)12-3-1-11(2-4-12)15-9-22-10-16-14(15)7-8-17(16)23-26(24,25)13-5-6-13/h1-4,9-10,13,17,23H,5-8H2
PDB

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n/an/an/an/a 2.33E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


(Homo sapiens (Human))		BDBM191961
PNG
(US9187429, 107)
Show SMILES CCC(=O)N[C@@H]1CCCc2c1cncc2-c1ccc(cc1C1CC1)C(F)(F)F |r|
Show InChI InChI=1S/C22H23F3N2O/c1-2-21(28)27-20-5-3-4-15-18(11-26-12-19(15)20)16-9-8-14(22(23,24)25)10-17(16)13-6-7-13/h8-13,20H,2-7H2,1H3,(H,27,28)/t20-/m1/s1
PDB

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n/an/an/an/a 7.83E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191877
PNG
(US9187429, 2)
Show SMILES CCS(=O)(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H19N3O2S/c1-2-24(22,23)21-18-5-3-4-15-16(11-20-12-17(15)18)14-8-6-13(10-19)7-9-14/h6-9,11-12,18,21H,2-5H2,1H3
PDB

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n/an/an/an/a 207n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


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

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n/an/an/an/a 16n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


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

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n/an/an/an/a 488n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


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

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n/an/an/an/a 7.22E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


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

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



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191893
PNG
(US9187429, 21 | US9187429, 22 | US9187429, 23)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N2O/c1-2-18(25)24-17-5-3-4-14-15(10-23-11-16(14)17)12-6-8-13(9-7-12)19(20,21)22/h6-11,17H,2-5H2,1H3,(H,24,25)
PDB

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n/an/an/an/a 6.38E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM191899
PNG
(US9187429, 30 | US9187429, 31 | US9187429, 32)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)cc1F
Show InChI InChI=1S/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-14(9-21-10-15(12)17)13-7-6-11(19)8-16(13)20/h6-10,17H,2-5H2,1H3,(H,22,23)
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n/an/an/an/a 1.22E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


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

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n/an/an/an/a 14n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


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

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n/an/an/an/a 12.1n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


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

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n/an/an/an/a 14.6n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


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


(Homo sapiens (Human))		BDBM191905
PNG
(US9187429, 39 | US9187429, 40 | US9187429, 41)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C19H18F4N2O/c1-2-18(26)25-17-5-3-4-12-13(9-24-10-14(12)17)11-6-7-15(16(20)8-11)19(21,22)23/h6-10,17H,2-5H2,1H3,(H,25,26)
PDB

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US Patent
n/an/an/an/a 3.24E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%