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Compile Data Set for Download or QSAR

Found 179 hits of ec50 data for polymerid = 1023,50000926,50006986   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191958
PNG
(US9187429, 103)
Show SMILES CC1(COC2CCc3c2cncc3-c2ccc(cc2)C(F)(F)F)COC1
Show InChI InChI=1/C20H20F3NO2/c1-19(10-25-11-19)12-26-18-7-6-15-16(8-24-9-17(15)18)13-2-4-14(5-3-13)20(21,22)23/h2-5,8-9,18H,6-7,10-12H2,1H3
PDB

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US Patent
n/an/an/an/a 0.200n/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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191957
PNG
(US9187429, 102)
Show SMILES NC(=O)COC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C17H15F3N2O2/c18-17(19,20)11-3-1-10(2-4-11)13-7-22-8-14-12(13)5-6-15(14)24-9-16(21)23/h1-4,7-8,15H,5-6,9H2,(H2,21,23)
PDB

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

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191938
PNG
(US9187429, 81)
Show SMILES OC1CCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1/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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n/an/an/an/a 1.30n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191952
PNG
(US9187429, 97)
Show SMILES CC(C)(C)OC(=O)COC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C21H22F3NO3/c1-20(2,3)28-19(26)12-27-18-9-8-15-16(10-25-11-17(15)18)13-4-6-14(7-5-13)21(22,23)24/h4-7,10-11,18H,8-9,12H2,1-3H3
PDB

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n/an/an/an/a 1.40n/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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM60879
PNG
(US9187429, 60)
Show SMILES CCC(=O)N[C@H]1CCc2c1cncc2-c1ccc(F)c(C)c1
Show InChI InChI=1/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)/t17-/s2
PDB

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n/an/an/an/a 2n/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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233856
PNG
(US9353081, 67 | US9353081, 68 | US9353081, 69)
PDB

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n/an/an/an/a 2n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191943
PNG
(US9187429, 87 | US9187429, 88)
Show SMILES CC1(C)Cc2c(cncc2-c2ccc(cc2)C#N)C1O
Show InChI InChI=1/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 2.20n/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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191910
PNG
(US9187429, 45)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/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 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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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=1/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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233824
PNG
(US9353081, 22 | US9353081, 23 | US9353081, 24)
PDB

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n/an/an/an/a 3.80n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233814
PNG
(US9353081, 12)
PDB

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n/an/an/an/a 4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191897
PNG
(US9187429, 27 | US9187429, 28 | US9187429, 29)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(F)c(C)c1
Show InChI InChI=1/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)
PDB

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n/an/an/an/a 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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191937
PNG
(US9187429, 80)
Show SMILES OC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1/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 4.5n/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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191959
PNG
(US9187429, 104 | US9187429, 105 | US9187429, 106)
Show SMILES OC1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233856
PNG
(US9353081, 67 | US9353081, 68 | US9353081, 69)
PDB

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n/an/an/an/a 4.70n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233869
PNG
(US9353081, 63)
PDB

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n/an/an/an/a 4.80n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191941
PNG
(US9187429, 84)
Show SMILES CC1(O)CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/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 4.80n/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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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=1/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 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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191939
PNG
(US9187429, 82)
Show SMILES OC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1/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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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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233868
PNG
(US9353081, 62)
PDB

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n/an/an/an/a 5.30n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233867
PNG
(US9353081, 61)
PDB

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n/an/an/an/a 5.60n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191903
PNG
(US9187429, 36 | US9187429, 37 | US9187429, 38)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)c(F)c1
Show InChI InChI=1/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 7n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM60877
PNG
(US9187429, 57)
Show SMILES CCC(=O)N[C@H]1CCc2c1cncc2-c1ccc(Cl)c(F)c1
Show InChI InChI=1/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-/s2
PDB

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n/an/an/an/a 7n/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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191885
PNG
(US9187429, 11)
Show SMILES OC1CCCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1/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 8n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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


US Patent US9187429 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233854
PNG
(US9353081, 58 | US9353081, 59 | US9353081, 60)
PDB

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n/an/an/an/a 8.80n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191919
PNG
(US9187429, 58 | US9187429, 59)
Show SMILES CCC(=O)NC1CCc2c1cncc2-c1ccc(F)c(C)c1
Show InChI InChI=1/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 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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191880
PNG
(US9187429, 5 | US9187429, 6 | US9187429, 7)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1/C19H19N3O/c1-2-19(23)22-18-5-3-4-15-16(11-21-12-17(15)18)14-8-6-13(10-20)7-9-14/h6-9,11-12,18H,2-5H2,1H3,(H,22,23)
PDB

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n/an/an/an/a 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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191887
PNG
(US9187429, 13)
Show SMILES COC1CCCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1/C17H16N2O/c1-20-17-4-2-3-14-15(10-19-11-16(14)17)13-7-5-12(9-18)6-8-13/h5-8,10-11,17H,2-4H2,1H3
PDB

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n/an/an/an/a 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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233824
PNG
(US9353081, 22 | US9353081, 23 | US9353081, 24)
PDB

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n/an/an/an/a 10.2n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
Show InChI InChI=1/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+/s2
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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233816
PNG
(US9353081, 14)
PDB

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



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233826
PNG
(US9353081, 25 | US9353081, 26 | US9353081, 27)
PDB

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n/an/an/an/a 11.2n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233810
PNG
(US9353081, 7 | US9353081, 9)
PDB

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



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191890
PNG
(US9187429, 17 | US9187429, 18 | US9187429, 19)
Show SMILES CCC(=O)NC1CCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191917
PNG
(US9187429, 55)
Show SMILES CCC(=O)NC1CCc2c1cncc2-c1ccc(Cl)c(F)c1
Show InChI InChI=1/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 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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191943
PNG
(US9187429, 87 | US9187429, 88)
Show SMILES CC1(C)Cc2c(cncc2-c2ccc(cc2)C#N)C1O
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191955
PNG
(US9187429, 100)
Show SMILES CNC(=O)COC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C18H17F3N2O2/c1-22-17(24)10-25-16-7-6-13-14(8-23-9-15(13)16)11-2-4-12(5-3-11)18(19,20)21/h2-5,8-9,16H,6-7,10H2,1H3,(H,22,24)
PDB

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n/an/an/an/a 12.9n/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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233810
PNG
(US9353081, 7 | US9353081, 9)
PDB

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n/an/an/an/a 13n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191897
PNG
(US9187429, 27 | US9187429, 28 | US9187429, 29)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(F)c(C)c1
Show InChI InChI=1/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)
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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191903
PNG
(US9187429, 36 | US9187429, 37 | US9187429, 38)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)c(F)c1
Show InChI InChI=1/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 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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233806
PNG
(US9353081, 3-1)
PDB

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



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233815
PNG
(US9353081, 13)
PDB

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



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233803
PNG
(US9353081, 1 | US9353081, 2 | US9353081, 3)
PDB

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



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233838
PNG
(US9353081, 42)
PDB

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n/an/an/an/a 14.5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191959
PNG
(US9187429, 104 | US9187429, 105 | US9187429, 106)
Show SMILES OC1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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=1/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 15.2n/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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM233858
PNG
(US9353081, 70)
PDB

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n/an/an/an/a 15.7n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9353081 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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=1/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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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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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=1/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)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM191947
PNG
(US9187429, 92)
Show SMILES CCC(=O)OC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1/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
PDB

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n/an/an/an/a 16.4n/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)

More data for this
Ligand-Target Pair
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