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Compile Data Set for Download or QSAR

Found 211 hits Enz. Inhib. hit(s) with all data for entry = 7373   
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))
BDBM191901
PNG
(US9187429, 33 | US9187429, 34 | US9187429, 35)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C19H18F4N2O/c1-2-18(26)25-17-5-3-4-12-14(9-24-10-15(12)17)13-7-6-11(8-16(13)20)19(21,22)23/h6-10,17H,2-5H2,1H3,(H,25,26)
PDB

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n/an/an/an/a 6.68E+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))
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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US Patent
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))
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)
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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))
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)
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n/an/an/an/a 214n/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))
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)
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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
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)
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n/an/an/an/a 3.25E+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
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)
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n/an/an/an/a 1.81E+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))
BDBM191907
PNG
(US9187429, 42)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(F)cc1F
Show InChI InChI=1S/C18H18F2N2O/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)
PDB

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n/an/an/an/a 2.40E+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))
BDBM191908
PNG
(US9187429, 43)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H17F3N2O/c1-2-18(24)23-17-5-3-4-10-12(8-22-9-13(10)17)11-6-15(20)16(21)7-14(11)19/h6-9,17H,2-5H2,1H3,(H,23,24)
PDB

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n/an/an/an/a 1.15E+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))
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 826n/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))
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))
BDBM191911
PNG
(US9187429, 46 | US9187429, 47 | US9187429, 48)
Show SMILES C[C@@H](O)C(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C19H19F3N2O2/c1-11(25)18(26)24-17-4-2-3-14-15(9-23-10-16(14)17)12-5-7-13(8-6-12)19(20,21)22/h5-11,17,25H,2-4H2,1H3,(H,24,26)/t11-,17?/m1/s1
PDB

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n/an/an/an/a 3.76E+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))
BDBM191911
PNG
(US9187429, 46 | US9187429, 47 | US9187429, 48)
Show SMILES C[C@@H](O)C(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C19H19F3N2O2/c1-11(25)18(26)24-17-4-2-3-14-15(9-23-10-16(14)17)12-5-7-13(8-6-12)19(20,21)22/h5-11,17,25H,2-4H2,1H3,(H,24,26)/t11-,17?/m1/s1
PDB

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n/an/an/an/a 2.10E+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 11B1, 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)
PDB

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n/an/an/an/a 4.04E+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))
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)
PDB

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n/an/an/an/a 2.26E+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))
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 3.71E+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))
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))
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))
BDBM60876
PNG
(US9187429, 56)
Show SMILES CCC(=O)N[C@@H]1CCc2c1cncc2-c1ccc(Cl)c(F)c1 |r|
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)/t16-/m1/s1
PDB

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n/an/an/an/a 3.83E+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
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM60877
PNG
(US9187429, 57)
Show SMILES CCC(=O)N[C@H]1CCc2c1cncc2-c1ccc(Cl)c(F)c1 |r|
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)/t16-/m0/s1
PDB

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n/an/an/an/a 103n/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)
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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))
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)
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n/an/an/an/a 64n/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))
BDBM191921
PNG
(US9187429, 61 | US9187429, 62 | US9187429, 63)
Show SMILES CCC(=O)NC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C18H16F4N2O/c1-2-17(25)24-16-6-5-11-13(8-23-9-14(11)16)12-4-3-10(7-15(12)19)18(20,21)22/h3-4,7-9,16H,2,5-6H2,1H3,(H,24,25)
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n/an/an/an/a 3.61E+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))
BDBM191921
PNG
(US9187429, 61 | US9187429, 62 | US9187429, 63)
Show SMILES CCC(=O)NC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C18H16F4N2O/c1-2-17(25)24-16-6-5-11-13(8-23-9-14(11)16)12-4-3-10(7-15(12)19)18(20,21)22/h3-4,7-9,16H,2,5-6H2,1H3,(H,24,25)
PDB

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n/an/an/an/a 1.47E+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
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM191921
PNG
(US9187429, 61 | US9187429, 62 | US9187429, 63)
Show SMILES CCC(=O)NC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C18H16F4N2O/c1-2-17(25)24-16-6-5-11-13(8-23-9-14(11)16)12-4-3-10(7-15(12)19)18(20,21)22/h3-4,7-9,16H,2,5-6H2,1H3,(H,24,25)
PDB

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n/an/an/an/a 1.72E+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))
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 1.27E+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
Cytochrome P450 11B1, 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 1.08E+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))
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 1.42E+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
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM191925
PNG
(US9187429, 67)
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+/m1/s1
PDB

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n/an/an/an/a 8.47E+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))
BDBM191926
PNG
(US9187429, 68)
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 1.07E+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
Cytochrome P450 11B1, 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 742n/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))
BDBM191928
PNG
(US9187429, 70)
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-/m1/s1
PDB

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n/an/an/an/a 3.03E+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))
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
PDB

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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))
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
PDB

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n/an/an/an/a 1.87E+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))
BDBM191931
PNG
(US9187429, 74)
Show SMILES N[C@@H]1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F |r|
Show InChI InChI=1S/C16H14F4N2/c17-14-6-9(16(18,19)20)4-5-11(14)12-7-22-8-13-10(12)2-1-3-15(13)21/h4-8,15H,1-3,21H2/t15-/m1/s1
PDB

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n/an/an/an/a 1.23E+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))
BDBM191932
PNG
(US9187429, 75)
Show SMILES CC(=O)N[C@@H]1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F |r|
Show InChI InChI=1S/C18H16F4N2O/c1-10(25)24-17-4-2-3-12-14(8-23-9-15(12)17)13-6-5-11(7-16(13)19)18(20,21)22/h5-9,17H,2-4H2,1H3,(H,24,25)/t17-/m1/s1
PDB

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n/an/an/an/a 3.54E+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))
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
PDB

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n/an/an/an/a 2.32E+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
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM191934
PNG
(US9187429, 77)
Show SMILES CC(=O)N[C@@H]1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C18H17F3N2O/c1-11(24)23-17-4-2-3-14-15(9-22-10-16(14)17)12-5-7-13(8-6-12)18(19,20)21/h5-10,17H,2-4H2,1H3,(H,23,24)/t17-/m1/s1
PDB

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n/an/an/an/a 2.24E+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
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))
BDBM191936
PNG
(US9187429, 79)
Show SMILES CC(=O)N[C@@H]1CCCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H16F4N2O/c1-10(25)24-17-4-2-3-12-13(8-23-9-14(12)17)11-5-6-15(16(19)7-11)18(20,21)22/h5-9,17H,2-4H2,1H3,(H,24,25)/t17-/m1/s1
PDB

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n/an/an/an/a 1.78E+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))
BDBM191937
PNG
(US9187429, 80)
Show SMILES OC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C15H11F4NO/c16-13-5-8(15(17,18)19)1-2-10(13)11-6-20-7-12-9(11)3-4-14(12)21/h1-2,5-7,14,21H,3-4H2
PDB

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US Patent
n/an/an/an/a 427n/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))
BDBM191938
PNG
(US9187429, 81)
Show SMILES OC1CCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1S/C15H12N2O/c16-7-10-1-3-11(4-2-10)13-8-17-9-14-12(13)5-6-15(14)18/h1-4,8-9,15,18H,5-6H2
PDB

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US Patent
n/an/an/an/a 12n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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


US Patent US9187429 (2015)


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


(Homo sapiens (Human))
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
PDB

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US Patent
n/an/an/an/a 71n/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))
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
PDB

KEGG

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US Patent
n/an/an/an/a 740n/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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UniChem

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US Patent
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))
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
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US Patent
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

KEGG

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US Patent
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))
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

KEGG

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UniChem

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US Patent
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))
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

KEGG

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UniChem

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US Patent
n/an/an/an/a 627n/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))
BDBM191944
PNG
(US9187429, 89)
Show SMILES NC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C15H12F4N2/c16-13-5-8(1-3-12(13)15(17,18)19)10-6-21-7-11-9(10)2-4-14(11)20/h1,3,5-7,14H,2,4,20H2
PDB

KEGG

UniProtKB/SwissProt

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UniChem

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US Patent
n/an/an/an/a 1.38E+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
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