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Compile Data Set for Download or QSAR

Found 173 hits with Last Name = 'gunmadi' and Initial = 'vr'   
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM132137
PNG
(USRE45173, 70A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O/c1-11-5-6-20-10-14(11)22-8-7-21(15(22)23)13-4-2-3-12(9-13)16(17,18)19/h2-6,9-10H,7-8H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM132104
PNG
(USRE45173, 14A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H17N3O/c1-14-8-9-20-13-18(14)22-11-10-21(19(22)23)17-7-6-15-4-2-3-5-16(15)12-17/h2-9,12-13H,10-11H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132182
PNG
(USRE45173, 121A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C16H15N5O/c1-11-4-5-17-10-15(11)21-7-6-20(16(21)22)13-3-2-12-9-18-19-14(12)8-13/h2-5,8-10H,6-7H2,1H3,(H,18,19)
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n/an/a 2.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132216
PNG
(USRE45173, 155A | USRE45173, 192A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(s1)C(F)(F)F
Show InChI InChI=1S/C14H12F3N3OS/c1-9-4-5-18-8-10(9)19-6-7-20(13(19)21)12-3-2-11(22-12)14(15,16)17/h2-5,8H,6-7H2,1H3
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n/an/a 2.70n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132216
PNG
(USRE45173, 155A | USRE45173, 192A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(s1)C(F)(F)F
Show InChI InChI=1S/C14H12F3N3OS/c1-9-4-5-18-8-10(9)19-6-7-20(13(19)21)12-3-2-11(22-12)14(15,16)17/h2-5,8H,6-7H2,1H3
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n/an/a 2.70n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM132121
PNG
(USRE45173, 41A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(Cl)s1
Show InChI InChI=1S/C13H12ClN3OS/c1-9-4-5-15-8-10(9)16-6-7-17(13(16)18)12-3-2-11(14)19-12/h2-5,8H,6-7H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132118
PNG
(USRE45173, 29A)
Show SMILES Cc1coc2ccc(cc12)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C18H17N3O2/c1-12-5-6-19-10-16(12)21-8-7-20(18(21)22)14-3-4-17-15(9-14)13(2)11-23-17/h3-6,9-11H,7-8H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132220
PNG
(USRE45173, 159A | USRE45173, 196A)
Show SMILES CCc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C17H16N4OS/c1-2-12-5-6-18-10-15(12)21-8-7-20(17(21)22)13-3-4-14-16(9-13)23-11-19-14/h3-6,9-11H,2,7-8H2,1H3
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n/an/a 3.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132220
PNG
(USRE45173, 159A | USRE45173, 196A)
Show SMILES CCc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C17H16N4OS/c1-2-12-5-6-18-10-15(12)21-8-7-20(17(21)22)13-3-4-14-16(9-13)23-11-19-14/h3-6,9-11H,2,7-8H2,1H3
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n/an/a 3.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132117
PNG
(USRE45173, 28A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H15N5O/c1-11-4-5-17-10-15(11)21-7-6-20(16(21)22)13-2-3-14-12(8-13)9-18-19-14/h2-5,8-10H,6-7H2,1H3,(H,18,19)
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n/an/a 4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132152
PNG
(USRE45173, 91A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(F)c(c1)C(F)F
Show InChI InChI=1S/C16H14F3N3O/c1-10-4-5-20-9-14(10)22-7-6-21(16(22)23)11-2-3-13(17)12(8-11)15(18)19/h2-5,8-9,15H,6-7H2,1H3
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n/an/a 4.30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM132127
PNG
(USRE45173, 52A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C18H16N4O/c1-13-6-8-19-12-17(13)22-10-9-21(18(22)23)15-4-5-16-14(11-15)3-2-7-20-16/h2-8,11-12H,9-10H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM132111
PNG
(USRE45173, 21A | USRE45173, 22A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2nc(Cl)cc(C)c2c1
Show InChI InChI=1S/C19H17ClN4O/c1-12-5-6-21-11-17(12)24-8-7-23(19(24)25)14-3-4-16-15(10-14)13(2)9-18(20)22-16/h3-6,9-11H,7-8H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132151
PNG
(USRE45173, 90A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F4N3O/c1-10-4-5-21-9-14(10)23-7-6-22(15(23)24)11-2-3-13(17)12(8-11)16(18,19)20/h2-5,8-9H,6-7H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM132106
PNG
(USRE45173, 16A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C16H14N4OS/c1-11-4-5-17-9-14(11)20-7-6-19(16(20)21)12-2-3-13-15(8-12)22-10-18-13/h2-5,8-10H,6-7H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM132163
PNG
(USRE45173, 102A)
Show SMILES Cc1n[nH]c2cc(ccc12)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C17H17N5O/c1-11-5-6-18-10-16(11)22-8-7-21(17(22)23)13-3-4-14-12(2)19-20-15(14)9-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132106
PNG
(USRE45173, 16A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C16H14N4OS/c1-11-4-5-17-9-14(11)20-7-6-19(16(20)21)12-2-3-13-15(8-12)22-10-18-13/h2-5,8-10H,6-7H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132137
PNG
(USRE45173, 70A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O/c1-11-5-6-20-10-14(11)22-8-7-21(15(22)23)13-4-2-3-12(9-13)16(17,18)19/h2-6,9-10H,7-8H2,1H3
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n/an/a 6.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM132130
PNG
(USRE45173, 55A)
Show SMILES Cc1cccc(c1)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C16H17N3O/c1-12-4-3-5-14(10-12)18-8-9-19(16(18)20)15-11-17-7-6-13(15)2/h3-7,10-11H,8-9H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132213
PNG
(USRE45173, 152A)
Show SMILES Nc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C15H13N5OS/c16-11-3-4-17-8-13(11)20-6-5-19(15(20)21)10-1-2-12-14(7-10)22-9-18-12/h1-4,7-9H,5-6H2,(H2,16,17)
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n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132163
PNG
(USRE45173, 102A)
Show SMILES Cc1n[nH]c2cc(ccc12)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C17H17N5O/c1-11-5-6-18-10-16(11)22-8-7-21(17(22)23)13-3-4-14-12(2)19-20-15(14)9-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
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n/an/a 7.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132130
PNG
(USRE45173, 55A)
Show SMILES Cc1cccc(c1)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C16H17N3O/c1-12-4-3-5-14(10-12)18-8-9-19(16(18)20)15-11-17-7-6-13(15)2/h3-7,10-11H,8-9H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132144
PNG
(USRE45173, 78A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1csc(c1)C(F)F
Show InChI InChI=1S/C14H13F2N3OS/c1-9-2-3-17-7-11(9)19-5-4-18(14(19)20)10-6-12(13(15)16)21-8-10/h2-3,6-8,13H,4-5H2,1H3
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n/an/a 9.30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132138
PNG
(USRE45173, 72A)
Show SMILES COc1cc(ccn1)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C15H16N4O2/c1-11-3-5-16-10-13(11)19-8-7-18(15(19)20)12-4-6-17-14(9-12)21-2/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 9.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM132138
PNG
(USRE45173, 72A)
Show SMILES COc1cc(ccn1)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C15H16N4O2/c1-11-3-5-16-10-13(11)19-8-7-18(15(19)20)12-4-6-17-14(9-12)21-2/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132105
PNG
(USRE45173, 15A)
Show SMILES Cc1ccc(s1)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C14H15N3OS/c1-10-5-6-15-9-12(10)16-7-8-17(14(16)18)13-4-3-11(2)19-13/h3-6,9H,7-8H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132184
PNG
(USRE45173, 123A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2c(N)n[nH]c2c1
Show InChI InChI=1S/C16H16N6O/c1-10-4-5-18-9-14(10)22-7-6-21(16(22)23)11-2-3-12-13(8-11)19-20-15(12)17/h2-5,8-9H,6-7H2,1H3,(H3,17,19,20)
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n/an/a 10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132123
PNG
(USRE45173, 46A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H13ClFN3O/c1-10-4-5-18-9-14(10)20-7-6-19(15(20)21)11-2-3-13(17)12(16)8-11/h2-5,8-9H,6-7H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132121
PNG
(USRE45173, 41A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(Cl)s1
Show InChI InChI=1S/C13H12ClN3OS/c1-9-4-5-15-8-10(9)16-6-7-17(13(16)18)12-3-2-11(14)19-12/h2-5,8H,6-7H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM132109
PNG
(USRE45173, 19A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H19N3O/c1-16-11-12-22-15-20(16)24-14-13-23(21(24)25)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM132108
PNG
(USRE45173, 18A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H14FN3O/c1-11-6-7-17-10-14(11)19-9-8-18(15(19)20)13-4-2-12(16)3-5-13/h2-7,10H,8-9H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132153
PNG
(USRE45173, 92B)
Show SMILES Cc1cc(cs1)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C14H15N3OS/c1-10-3-4-15-8-13(10)17-6-5-16(14(17)18)12-7-11(2)19-9-12/h3-4,7-9H,5-6H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132149
PNG
(CVD-0005158 | JAG-UCB-cedd89ab-1 | USRE45173, 88A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H14ClN3O/c1-11-5-6-17-10-14(11)19-8-7-18(15(19)20)13-4-2-3-12(16)9-13/h2-6,9-10H,7-8H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM132185
PNG
(USRE45173, 124A)
Show SMILES COc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C16H14N4O2S/c1-22-14-4-5-17-9-13(14)20-7-6-19(16(20)21)11-2-3-12-15(8-11)23-10-18-12/h2-5,8-10H,6-7H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132199
PNG
(USRE45173, 138A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2CCCc2c1
Show InChI InChI=1S/C18H19N3O/c1-13-7-8-19-12-17(13)21-10-9-20(18(21)22)16-6-5-14-3-2-4-15(14)11-16/h5-8,11-12H,2-4,9-10H2,1H3
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n/an/a 13n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132202
PNG
(USRE45173, 141A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2[nH]nnc2c1
Show InChI InChI=1S/C15H14N6O/c1-10-4-5-16-9-14(10)21-7-6-20(15(21)22)11-2-3-12-13(8-11)18-19-17-12/h2-5,8-9H,6-7H2,1H3,(H,17,18,19)
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n/an/a 13n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132212
PNG
(USRE45173, 151A)
Show SMILES Cc1c(Cl)cncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C16H13ClN4OS/c1-10-12(17)7-18-8-14(10)21-5-4-20(16(21)22)11-2-3-13-15(6-11)23-9-19-13/h2-3,6-9H,4-5H2,1H3
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n/an/a 13.3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132126
PNG
(USRE45173, 51A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2OCCc2c1
Show InChI InChI=1S/C17H17N3O2/c1-12-4-6-18-11-15(12)20-8-7-19(17(20)21)14-2-3-16-13(10-14)5-9-22-16/h2-4,6,10-11H,5,7-9H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132115
PNG
(USRE45173, 26A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cc2ccccc2s1
Show InChI InChI=1S/C17H15N3OS/c1-12-6-7-18-11-14(12)19-8-9-20(17(19)21)16-10-13-4-2-3-5-15(13)22-16/h2-7,10-11H,8-9H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132129
PNG
(USRE45173, 54A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C15H13ClFN3O/c1-10-4-5-18-9-14(10)20-7-6-19(15(20)21)11-2-3-12(16)13(17)8-11/h2-5,8-9H,6-7H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132196
PNG
(USRE45173, 135A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2c(c1)[nH][nH]c2=O
Show InChI InChI=1S/C16H15N5O2/c1-10-4-5-17-9-14(10)21-7-6-20(16(21)23)11-2-3-12-13(8-11)18-19-15(12)22/h2-5,8-9H,6-7H2,1H3,(H2,18,19,22)
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n/an/a 15.9n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM132102
PNG
(USRE45173, 7A)
Show SMILES O=C1N(CCN1c1ccc2sccc2c1)c1cccnc1
Show InChI InChI=1S/C16H13N3OS/c20-16-18(7-8-19(16)14-2-1-6-17-11-14)13-3-4-15-12(10-13)5-9-21-15/h1-6,9-11H,7-8H2
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n/an/a 16n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132104
PNG
(USRE45173, 14A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H17N3O/c1-14-8-9-20-13-18(14)22-11-10-21(19(22)23)17-7-6-15-4-2-3-5-16(15)12-17/h2-9,12-13H,10-11H2,1H3
PDB

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n/an/a 17n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132186
PNG
(USRE45173, 125A)
Show SMILES FC(F)c1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C16H12F2N4OS/c17-15(18)11-3-4-19-8-13(11)22-6-5-21(16(22)23)10-1-2-12-14(7-10)24-9-20-12/h1-4,7-9,15H,5-6H2
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n/an/a 17n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132179
PNG
(USRE45173, 118A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2[nH]nc(N)c2c1
Show InChI InChI=1S/C16H16N6O/c1-10-4-5-18-9-14(10)22-7-6-21(16(22)23)11-2-3-13-12(8-11)15(17)20-19-13/h2-5,8-9H,6-7H2,1H3,(H3,17,19,20)
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n/an/a 17n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132133
PNG
(USRE45173, 59A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(F)c(C)c1
Show InChI InChI=1S/C16H16FN3O/c1-11-5-6-18-10-15(11)20-8-7-19(16(20)21)13-3-4-14(17)12(2)9-13/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132159
PNG
(USRE45173, 98A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cc2c(Cl)nccc2s1
Show InChI InChI=1S/C16H13ClN4OS/c1-10-2-4-18-9-12(10)20-6-7-21(16(20)22)14-8-11-13(23-14)3-5-19-15(11)17/h2-5,8-9H,6-7H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132164
PNG
(USRE45173, 103A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(F)c(c1)C#N
Show InChI InChI=1S/C16H13FN4O/c1-11-4-5-19-10-15(11)21-7-6-20(16(21)22)13-2-3-14(17)12(8-13)9-18/h2-5,8,10H,6-7H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132234
PNG
(USRE45173, 178A)
Show SMILES O=C1N(CCN1c1cnccc1CNC1CC1)c1ccc2ncsc2c1
Show InChI InChI=1S/C19H19N5OS/c25-19-23(15-3-4-16-18(9-15)26-12-22-16)7-8-24(19)17-11-20-6-5-13(17)10-21-14-1-2-14/h3-6,9,11-12,14,21H,1-2,7-8,10H2
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n/an/a 19n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM132113
PNG
(USRE45173, 23A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C18H16N4O/c1-13-8-9-19-12-16(13)21-10-11-22(18(21)23)17-7-6-14-4-2-3-5-15(14)20-17/h2-9,12H,10-11H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
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