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Patent code US9339501

Compile Data Set for Download or QSAR
Found 54 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 17A1


(Rattus norvegicus (Rat))
BDBM158429
PNG
(US9029399, 2A | US9339501, 2A)
Show SMILES FC(F)(F)c1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C17H15F3N4O/c18-17(19,20)15-9-12(3-6-22-15)23-7-8-24(16(23)25)14-10-21-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2
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n/an/a 1.10n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158474
PNG
(US9029399, 46A | US9339501, 46A)
Show SMILES Clc1cc(cc(Cl)n1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C16H14Cl2N4O/c17-14-7-11(8-15(18)20-14)21-5-6-22(16(21)23)13-9-19-4-3-12(13)10-1-2-10/h3-4,7-10H,1-2,5-6H2
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n/an/a 1.90n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM158428
PNG
(US9029399, 1A | US9339501, 1A)
Show SMILES Clc1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C16H15ClN4O/c17-15-9-12(3-6-19-15)20-7-8-21(16(20)22)14-10-18-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158445
PNG
(US9029399, 19A | US9339501, 19A)
Show SMILES Cc1coc2ccc(cc12)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C20H19N3O2/c1-13-12-25-19-5-4-15(10-17(13)19)22-8-9-23(20(22)24)18-11-21-7-6-16(18)14-2-3-14/h4-7,10-12,14H,2-3,8-9H2,1H3
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM158460
PNG
(US9029399, 32A-II | US9339501, 32A-II)
Show SMILES FC(F)(F)c1cc(ccn1)N1[C@H]2C[C@H]2N(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C18H15F3N4O/c19-18(20,21)16-7-11(3-6-23-16)24-13-8-14(13)25(17(24)26)15-9-22-5-4-12(15)10-1-2-10/h3-7,9-10,13-14H,1-2,8H2/t13-,14+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM158436
PNG
(US9029399, 9A | US9339501, 9A)
Show SMILES COc1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C17H18N4O2/c1-23-16-10-13(4-7-19-16)20-8-9-21(17(20)22)15-11-18-6-5-14(15)12-2-3-12/h4-7,10-12H,2-3,8-9H2,1H3
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158476
PNG
(US9029399, 48A | US9339501, 48A)
Show SMILES FC(F)(F)c1cc(cc(n1)C1CC1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C20H19F3N4O/c21-20(22,23)18-10-14(9-16(25-18)13-3-4-13)26-7-8-27(19(26)28)17-11-24-6-5-15(17)12-1-2-12/h5-6,9-13H,1-4,7-8H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158465
PNG
(US9029399, 37A | US9339501, 37A)
Show SMILES FC(F)(F)c1cc(cc(Cl)n1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C17H14ClF3N4O/c18-15-8-11(7-14(23-15)17(19,20)21)24-5-6-25(16(24)26)13-9-22-4-3-12(13)10-1-2-10/h3-4,7-10H,1-2,5-6H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158475
PNG
(US9029399, 47A | US9339501, 47A)
Show SMILES Clc1cc(cc(n1)C1CC1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C19H19ClN4O/c20-18-10-14(9-16(22-18)13-3-4-13)23-7-8-24(19(23)25)17-11-21-6-5-15(17)12-1-2-12/h5-6,9-13H,1-4,7-8H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM60957
PNG
(BDBM158452 | US9339501, 26A)
Show SMILES Fc1cc(cc2sccc12)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C19H16FN3OS/c20-16-9-13(10-18-15(16)4-8-25-18)22-6-7-23(19(22)24)17-11-21-5-3-14(17)12-1-2-12/h3-5,8-12H,1-2,6-7H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158456
PNG
(US9029399, 30A-II | US9339501, 30A-II)
Show SMILES Clc1cc(ccn1)N1[C@H]2C[C@H]2N(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C17H15ClN4O/c18-16-7-11(3-6-20-16)21-13-8-14(13)22(17(21)23)15-9-19-5-4-12(15)10-1-2-10/h3-7,9-10,13-14H,1-2,8H2/t13-,14+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158432
PNG
(US9029399, 5A | US9339501, 5A)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C18H16F3N3O/c19-18(20,21)13-2-1-3-14(10-13)23-8-9-24(17(23)25)16-11-22-7-6-15(16)12-4-5-12/h1-3,6-7,10-12H,4-5,8-9H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158477
PNG
(US9029399, 49A | US9339501, 49A)
Show SMILES FC(F)(F)c1cc(cc(n1)C(F)(F)F)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C18H14F6N4O/c19-17(20,21)14-7-11(8-15(26-14)18(22,23)24)27-5-6-28(16(27)29)13-9-25-4-3-12(13)10-1-2-10/h3-4,7-10H,1-2,5-6H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158441
PNG
(US9029399, 15A | US9339501, 15A)
Show SMILES Cc1csc2ccc(cc12)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C20H19N3OS/c1-13-12-25-19-5-4-15(10-17(13)19)22-8-9-23(20(22)24)18-11-21-7-6-16(18)14-2-3-14/h4-7,10-12,14H,2-3,8-9H2,1H3
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n/an/a 6.70n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158460
PNG
(US9029399, 32A-II | US9339501, 32A-II)
Show SMILES FC(F)(F)c1cc(ccn1)N1[C@H]2C[C@H]2N(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C18H15F3N4O/c19-18(20,21)16-7-11(3-6-23-16)24-13-8-14(13)25(17(24)26)15-9-22-5-4-12(15)10-1-2-10/h3-7,9-10,13-14H,1-2,8H2/t13-,14+/m0/s1
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n/an/a 6.90n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158442
PNG
(US9029399, 16A | US9339501, 16A)
Show SMILES O=C1N(CCN1c1cnccc1C1CC1)c1ccc2ccsc2c1
Show InChI InChI=1S/C19H17N3OS/c23-19-21(15-4-3-14-6-10-24-18(14)11-15)8-9-22(19)17-12-20-7-5-16(17)13-1-2-13/h3-7,10-13H,1-2,8-9H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158448
PNG
(US9029399, 22A | US9339501, 22A)
Show SMILES Fc1ccc2sc(cc2c1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C19H16FN3OS/c20-14-3-4-17-13(9-14)10-18(25-17)23-8-7-22(19(23)24)16-11-21-6-5-15(16)12-1-2-12/h3-6,9-12H,1-2,7-8H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158428
PNG
(US9029399, 1A | US9339501, 1A)
Show SMILES Clc1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C16H15ClN4O/c17-15-9-12(3-6-19-15)20-7-8-21(16(20)22)14-10-18-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2
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n/an/a 8n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158429
PNG
(US9029399, 2A | US9339501, 2A)
Show SMILES FC(F)(F)c1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C17H15F3N4O/c18-17(19,20)15-9-12(3-6-22-15)23-7-8-24(16(23)25)14-10-21-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2
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n/an/a 9n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158473
PNG
(US9029399, 45A | US9339501, 45A)
Show SMILES FC(F)(F)c1nc(Cl)cc(n1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C16H13ClF3N5O/c17-12-7-13(23-14(22-12)16(18,19)20)25-6-5-24(15(25)26)11-8-21-4-3-10(11)9-1-2-9/h3-4,7-9H,1-2,5-6H2
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n/an/a 10n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158439
PNG
(US9029399, 13A | US9339501, 13A)
Show SMILES FC(F)(F)c1csc2ccc(cc12)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C20H16F3N3OS/c21-20(22,23)16-11-28-18-4-3-13(9-15(16)18)25-7-8-26(19(25)27)17-10-24-6-5-14(17)12-1-2-12/h3-6,9-12H,1-2,7-8H2
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n/an/a 11n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158458
PNG
(US9029399, 31A-II | US9339501, 31A-II)
Show SMILES COc1cc(ccn1)N1[C@H]2C[C@H]2N(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C18H18N4O2/c1-24-17-8-12(4-7-20-17)21-14-9-15(14)22(18(21)23)16-10-19-6-5-13(16)11-2-3-11/h4-8,10-11,14-15H,2-3,9H2,1H3/t14-,15+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158467
PNG
(US9029399, 39A | US9339501, 39A)
Show SMILES O=C1N(CCN1c1cnccc1C1CC1)c1ccnc(c1)C1CC1
Show InChI InChI=1S/C19H20N4O/c24-19-22(15-5-8-21-17(11-15)14-3-4-14)9-10-23(19)18-12-20-7-6-16(18)13-1-2-13/h5-8,11-14H,1-4,9-10H2
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n/an/a 12n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158462
PNG
(US9029399, 34A | US9339501, 34A)
Show SMILES Clc1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CCCC1
Show InChI InChI=1S/C18H19ClN4O/c19-17-11-14(5-8-21-17)22-9-10-23(18(22)24)16-12-20-7-6-15(16)13-3-1-2-4-13/h5-8,11-13H,1-4,9-10H2
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n/an/a 13n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158433
PNG
(US9029399, 6A | US9339501, 6A)
Show SMILES O=C1N(CCN1c1cnccc1C1CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C19H17N3OS/c23-19-21(16-12-20-8-7-15(16)13-5-6-13)9-10-22(19)18-11-14-3-1-2-4-17(14)24-18/h1-4,7-8,11-13H,5-6,9-10H2
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n/an/a 13n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158431
PNG
(US9029399, 4A | US9339501, 4A)
Show SMILES O=C1N(CCN1c1cnccc1C1CC1)c1ccc2sccc2c1
Show InChI InChI=1S/C19H17N3OS/c23-19-21(15-3-4-18-14(11-15)6-10-24-18)8-9-22(19)17-12-20-7-5-16(17)13-1-2-13/h3-7,10-13H,1-2,8-9H2
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n/an/a 13n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158447
PNG
(US9029399, 21A | US9339501, 21A)
Show SMILES O=C1N(CCN1c1cnccc1C1CC1)c1ccc2CCCc2c1
Show InChI InChI=1S/C20H21N3O/c24-20-22(17-7-6-14-2-1-3-16(14)12-17)10-11-23(20)19-13-21-9-8-18(19)15-4-5-15/h6-9,12-13,15H,1-5,10-11H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158450
PNG
(US9029399, 24A | US9339501, 24A)
Show SMILES Cc1c(F)sc2ccc(cc12)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C20H18FN3OS/c1-12-16-10-14(4-5-18(16)26-19(12)21)23-8-9-24(20(23)25)17-11-22-7-6-15(17)13-2-3-13/h4-7,10-11,13H,2-3,8-9H2,1H3
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158435
PNG
(US9029399, 8A | US9339501, 8A)
Show SMILES FC(F)(F)c1ccnc(c1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C17H15F3N4O/c18-17(19,20)12-3-6-22-15(9-12)24-8-7-23(16(24)25)14-10-21-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2
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n/an/a 22n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158470
PNG
(US9029399, 42A | US9339501, 42A)
Show SMILES Cc1cc(ncc1F)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C17H17FN4O/c1-11-8-16(20-9-14(11)18)22-7-6-21(17(22)23)15-10-19-5-4-13(15)12-2-3-12/h4-5,8-10,12H,2-3,6-7H2,1H3
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158440
PNG
(US9029399, 14A | US9339501, 14A)
Show SMILES Fc1cc2cc(ccc2s1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C19H16FN3OS/c20-18-10-13-9-14(3-4-17(13)25-18)22-7-8-23(19(22)24)16-11-21-6-5-15(16)12-1-2-12/h3-6,9-12H,1-2,7-8H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158430
PNG
(US9029399, 3A | US9339501, 3A)
Show SMILES O=C1N(CCN1c1cnccc1C1CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H19N3O/c25-21-23(18-8-7-15-3-1-2-4-17(15)13-18)11-12-24(21)20-14-22-10-9-19(20)16-5-6-16/h1-4,7-10,13-14,16H,5-6,11-12H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158464
PNG
(US9029399, 36A | US9339501, 36A)
Show SMILES OC1(CC1)c1ccncc1N1CCN(C1=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O2/c19-18(20,21)12-2-1-3-13(10-12)23-8-9-24(16(23)25)15-11-22-7-4-14(15)17(26)5-6-17/h1-4,7,10-11,26H,5-6,8-9H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM60956
PNG
(BDBM158451 | US9339501, 25A)
Show SMILES Fc1cc2ccc(cc2s1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C19H16FN3OS/c20-18-9-13-3-4-14(10-17(13)25-18)22-7-8-23(19(22)24)16-11-21-6-5-15(16)12-1-2-12/h3-6,9-12H,1-2,7-8H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158471
PNG
(US9029399, 43A | US9339501, 43A)
Show SMILES O=C1N(CCN1c1cnccc1C1CC1)c1ccnc(n1)C1CC1
Show InChI InChI=1S/C18H19N5O/c24-18-22(15-11-19-7-5-14(15)12-1-2-12)9-10-23(18)16-6-8-20-17(21-16)13-3-4-13/h5-8,11-13H,1-4,9-10H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158434
PNG
(US9029399, 7A | US9339501, 7A)
Show SMILES Cc1nc(Cl)cc(n1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C16H16ClN5O/c1-10-19-14(17)8-15(20-10)22-7-6-21(16(22)23)13-9-18-5-4-12(13)11-2-3-11/h4-5,8-9,11H,2-3,6-7H2,1H3
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158436
PNG
(US9029399, 9A | US9339501, 9A)
Show SMILES COc1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C17H18N4O2/c1-23-16-10-13(4-7-19-16)20-8-9-21(17(20)22)15-11-18-6-5-14(15)12-2-3-12/h4-7,10-12H,2-3,8-9H2,1H3
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158461
PNG
(US9029399, 33A | US9339501, 33A)
Show SMILES OC1(CCC1)c1ccncc1N1CCN(C1=O)c1ccnc(Cl)c1
Show InChI InChI=1S/C17H17ClN4O2/c18-15-10-12(2-7-20-15)21-8-9-22(16(21)23)14-11-19-6-3-13(14)17(24)4-1-5-17/h2-3,6-7,10-11,24H,1,4-5,8-9H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158466
PNG
(US9029399, 38A | US9339501, 38A)
Show SMILES O=C1N(CCN1c1cnccc1C1CC1)c1cc(ncn1)C1CC1
Show InChI InChI=1S/C18H19N5O/c24-18-22(16-10-19-6-5-14(16)12-1-2-12)7-8-23(18)17-9-15(13-3-4-13)20-11-21-17/h5-6,9-13H,1-4,7-8H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158443
PNG
(US9029399, 17A | US9339501, 17A)
Show SMILES FC1(F)Oc2ccc(cc2O1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C18H15F2N3O3/c19-18(20)25-15-4-3-12(9-16(15)26-18)22-7-8-23(17(22)24)14-10-21-6-5-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158469
PNG
(US9029399, 41A | US9339501, 41A)
Show SMILES Cc1cc(ncn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C16H17N5O/c1-11-8-15(19-10-18-11)21-7-6-20(16(21)22)14-9-17-5-4-13(14)12-2-3-12/h4-5,8-10,12H,2-3,6-7H2,1H3
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158444
PNG
(US9029399, 18A | US9339501, 18A)
Show SMILES Cc1csc2cc(ccc12)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C20H19N3OS/c1-13-12-25-19-10-15(4-5-16(13)19)22-8-9-23(20(22)24)18-11-21-7-6-17(18)14-2-3-14/h4-7,10-12,14H,2-3,8-9H2,1H3
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158468
PNG
(US9029399, 40A | US9339501, 40A)
Show SMILES COc1cc(ncn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C16H17N5O2/c1-23-15-8-14(18-10-19-15)21-7-6-20(16(21)22)13-9-17-5-4-12(13)11-2-3-11/h4-5,8-11H,2-3,6-7H2,1H3
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158438
PNG
(US9029399, 12A | US9339501, 12A)
Show SMILES FC(F)(F)c1nccc(n1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C16H14F3N5O/c17-16(18,19)14-21-6-4-13(22-14)24-8-7-23(15(24)25)12-9-20-5-3-11(12)10-1-2-10/h3-6,9-10H,1-2,7-8H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158446
PNG
(US9029399, 20A | US9339501, 20A)
Show SMILES Clc1cc2cc(ccc2s1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C19H16ClN3OS/c20-18-10-13-9-14(3-4-17(13)25-18)22-7-8-23(19(22)24)16-11-21-6-5-15(16)12-1-2-12/h3-6,9-12H,1-2,7-8H2
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NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158437
PNG
(US9029399, 10A | US9339501, 10A)
Show SMILES Clc1cc(ncn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C15H14ClN5O/c16-13-7-14(19-9-18-13)21-6-5-20(15(21)22)12-8-17-4-3-11(12)10-1-2-10/h3-4,7-10H,1-2,5-6H2
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n/an/a 121n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158455
PNG
(US9029399, 30A-I | US9339501, 30A-I)
Show SMILES Clc1cc(ccn1)N1[C@@H]2C[C@@H]2N(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C17H15ClN4O/c18-16-7-11(3-6-20-16)21-13-8-14(13)22(17(21)23)15-9-19-5-4-12(15)10-1-2-10/h3-7,9-10,13-14H,1-2,8H2/t13-,14+/m1/s1
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n/an/a 161n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158457
PNG
(US9029399, 31A-1 | US9339501, 31A-1)
Show SMILES COc1cc(ccn1)N1[C@@H]2C[C@@H]2N(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C18H18N4O2/c1-24-17-8-12(4-7-20-17)21-14-9-15(14)22(18(21)23)16-10-19-6-5-13(16)11-2-3-11/h4-8,10-11,14-15H,2-3,9H2,1H3/t14-,15+/m1/s1
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n/an/a 169n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158459
PNG
(US9029399, 32A-I | US9339501, 32A-I)
Show SMILES FC(F)(F)c1cc(ccn1)N1[C@@H]2C[C@@H]2N(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C18H15F3N4O/c19-18(20,21)16-7-11(3-6-23-16)24-13-8-14(13)25(17(24)26)15-9-22-5-4-12(15)10-1-2-10/h3-7,9-10,13-14H,1-2,8H2/t13-,14+/m1/s1
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n/an/a 184n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158463
PNG
(US9029399, 35A | US9339501, 35A)
Show SMILES OC1(CCCC1)c1ccncc1N1CCN(C1=O)c1ccnc(Cl)c1
Show InChI InChI=1S/C18H19ClN4O2/c19-16-11-13(3-8-21-16)22-9-10-23(17(22)24)15-12-20-7-4-14(15)18(25)5-1-2-6-18/h3-4,7-8,11-12,25H,1-2,5-6,9-10H2
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n/an/a 341n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158472
PNG
(US9029399, 44A | US9339501, 44A)
Show SMILES Cc1nccc(n1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C16H17N5O/c1-11-18-7-5-15(19-11)21-9-8-20(16(21)22)14-10-17-6-4-13(14)12-2-3-12/h4-7,10,12H,2-3,8-9H2,1H3
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n/an/a 397n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158453
PNG
(US9029399, 27A | US9339501, 27A)
Show SMILES Fc1cc2ccsc2cc1N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C19H16FN3OS/c20-15-9-13-4-8-25-18(13)10-16(15)22-6-7-23(19(22)24)17-11-21-5-3-14(17)12-1-2-12/h3-5,8-12H,1-2,6-7H2
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n/an/a 461n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158454
PNG
(US9029399, 28A | US9339501, 28A)
Show SMILES Fc1cc2sccc2cc1N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C19H16FN3OS/c20-15-10-18-13(4-8-25-18)9-16(15)22-6-7-23(19(22)24)17-11-21-5-3-14(17)12-1-2-12/h3-5,8-12H,1-2,6-7H2
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n/an/a 548n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM158449
PNG
(US9029399, 23A | US9339501, 23A)
Show SMILES FC(F)(F)c1csc2cc(ccc12)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C20H16F3N3OS/c21-20(22,23)16-11-28-18-9-13(3-4-15(16)18)25-7-8-26(19(25)27)17-10-24-6-5-14(17)12-1-2-12/h3-6,9-12H,1-2,7-8H2
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n/an/a 1.21E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%