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USPatent USRE45173

Compile data set for download or QSAR
Found 173 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
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


(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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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))		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))		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))		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


(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


(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


(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


(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


(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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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))		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)
PDB

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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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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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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))		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))		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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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))		BDBM132107
PNG
(USRE45173, 17A)
Show SMILES CCN1C(=O)CCc2cc(ccc12)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C20H22N4O2/c1-3-22-17-6-5-16(12-15(17)4-7-19(22)25)23-10-11-24(20(23)26)18-13-21-9-8-14(18)2/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3
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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))		BDBM132259
PNG
(USRE45173, 92A)
Show SMILES Cc1cc(cs1)-n1ccn(-c2cnccc2C)c1=O
Show InChI InChI=1S/C14H13N3OS/c1-10-3-4-15-8-13(10)17-6-5-16(14(17)18)12-7-11(2)19-9-12/h3-9H,1-2H3
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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))		BDBM132218
PNG
(USRE45173, 157A | USRE45173, 194A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cc2c(C)nccc2s1
Show InChI InChI=1S/C17H16N4OS/c1-11-3-5-18-10-14(11)20-7-8-21(17(20)22)16-9-13-12(2)19-6-4-15(13)23-16/h3-6,9-10H,7-8H2,1-2H3
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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))		BDBM132203
PNG
(USRE45173, 142A)
Show SMILES Cc1ccncc1-n1ccn(-c2ccc3ncsc3c2)c1=O
Show InChI InChI=1S/C16H12N4OS/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/h2-10H,1H3
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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))		BDBM132218
PNG
(USRE45173, 157A | USRE45173, 194A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cc2c(C)nccc2s1
Show InChI InChI=1S/C17H16N4OS/c1-11-3-5-18-10-14(11)20-7-8-21(17(20)22)16-9-13-12(2)19-6-4-15(13)23-16/h3-6,9-10H,7-8H2,1-2H3
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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))		BDBM132160
PNG
(USRE45173, 99A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1csc2ccnc(Cl)c12
Show InChI InChI=1S/C16H13ClN4OS/c1-10-2-4-18-8-11(10)20-6-7-21(16(20)22)12-9-23-13-3-5-19-15(17)14(12)13/h2-5,8-9H,6-7H2,1H3
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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))		BDBM132258
PNG
(USRE45173, 91B)
Show SMILES Cc1ccncc1-n1ccn(-c2ccc(F)c(c2)C(F)F)c1=O
Show InChI InChI=1S/C16H12F3N3O/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/h2-9,15H,1H3
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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))		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 23n/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))		BDBM132175
PNG
(USRE45173, 114A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2n(C)ncc2c1
Show InChI InChI=1S/C17H17N5O/c1-12-5-6-18-11-16(12)22-8-7-21(17(22)23)14-3-4-15-13(9-14)10-19-20(15)2/h3-6,9-11H,7-8H2,1-2H3
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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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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))		BDBM132116
PNG
(USRE45173, 27A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2sccc2c1
Show InChI InChI=1S/C17H15N3OS/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/h2-6,9-11H,7-8H2,1H3
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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))		BDBM132131
PNG
(USRE45173, 56A)
Show SMILES COc1cccc(c1)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C16H17N3O2/c1-12-6-7-17-11-15(12)19-9-8-18(16(19)20)13-4-3-5-14(10-13)21-2/h3-7,10-11H,8-9H2,1-2H3
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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))		BDBM132187
PNG
(USRE45173, 126A)
Show SMILES OCc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C16H14N4O2S/c21-9-11-3-4-17-8-14(11)20-6-5-19(16(20)22)12-1-2-13-15(7-12)23-10-18-13/h1-4,7-8,10,21H,5-6,9H2
PDB

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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))		BDBM132209
PNG
(USRE45173, 148A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N4O/c1-10-2-4-19-9-12(10)22-7-6-21(14(22)23)11-3-5-20-13(8-11)15(16,17)18/h2-5,8-9H,6-7H2,1H3
PDB

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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))		BDBM132122
PNG
(USRE45173, 45A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C15H13F2N3O/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 27n/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))		BDBM132132
PNG
(USRE45173, 58A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccnc(Cl)c1
Show InChI InChI=1S/C14H13ClN4O/c1-10-2-4-16-9-12(10)19-7-6-18(14(19)20)11-3-5-17-13(15)8-11/h2-5,8-9H,6-7H2,1H3
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n/an/a 27n/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))		BDBM132236
PNG
(USRE45173, 182A)
Show SMILES Cc1cc(NCc2ccncc2N2CCN(C2=O)c2ccc3ncsc3c2)n[nH]1
Show InChI InChI=1S/C20H19N7OS/c1-13-8-19(25-24-13)22-10-14-4-5-21-11-17(14)27-7-6-26(20(27)28)15-2-3-16-18(9-15)29-12-23-16/h2-5,8-9,11-12H,6-7,10H2,1H3,(H2,22,24,25)
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n/an/a 27n/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))		BDBM132173
PNG
(USRE45173, 112A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C16H13ClN4O/c1-11-4-5-19-10-15(11)21-7-6-20(16(21)22)13-3-2-12(9-18)14(17)8-13/h2-5,8,10H,6-7H2,1H3
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n/an/a 28n/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))		BDBM132124
PNG
(USRE45173, 49A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H17N3O3/c1-12-4-5-18-11-14(12)20-7-6-19(17(20)21)13-2-3-15-16(10-13)23-9-8-22-15/h2-5,10-11H,6-9H2,1H3
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n/an/a 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))		BDBM132206
PNG
(USRE45173, 145A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccn2c(Cl)cnc2c1
Show InChI InChI=1S/C16H14ClN5O/c1-11-2-4-18-9-13(11)21-7-6-20(16(21)23)12-3-5-22-14(17)10-19-15(22)8-12/h2-5,8-10H,6-7H2,1H3
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n/an/a 31n/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))		BDBM132233
PNG
(USRE45173, 177A)
Show SMILES O=C1N(CCN1c1cnccc1CN1CCOCC1)c1ccc2ncsc2c1
Show InChI InChI=1S/C20H21N5O2S/c26-20-24(16-1-2-17-19(11-16)28-14-22-17)5-6-25(20)18-12-21-4-3-15(18)13-23-7-9-27-10-8-23/h1-4,11-12,14H,5-10,13H2
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n/an/a 32n/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))		BDBM132227
PNG
(USRE45173, 166A | USRE45173, 203A)
Show SMILES CC1CN(C(=O)N1c1ccc2ncsc2c1)c1cnccc1C
Show InChI InChI=1S/C17H16N4OS/c1-11-5-6-18-8-15(11)20-9-12(2)21(17(20)22)13-3-4-14-16(7-13)23-10-19-14/h3-8,10,12H,9H2,1-2H3
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n/an/a 32n/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))		BDBM132227
PNG
(USRE45173, 166A | USRE45173, 203A)
Show SMILES CC1CN(C(=O)N1c1ccc2ncsc2c1)c1cnccc1C
Show InChI InChI=1S/C17H16N4OS/c1-11-5-6-18-8-15(11)20-9-12(2)21(17(20)22)13-3-4-14-16(7-13)23-10-19-14/h3-8,10,12H,9H2,1-2H3
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n/an/a 32n/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))		BDBM132221
PNG
(USRE45173, 160A | USRE45173, 197A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2c(n[nH]c2c1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N5O/c1-10-4-5-21-9-14(10)25-7-6-24(16(25)26)11-2-3-12-13(8-11)22-23-15(12)17(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,22,23)
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n/an/a 34n/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))		BDBM132221
PNG
(USRE45173, 160A | USRE45173, 197A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2c(n[nH]c2c1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N5O/c1-10-4-5-21-9-14(10)25-7-6-24(16(25)26)11-2-3-12-13(8-11)22-23-15(12)17(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,22,23)
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n/an/a 34n/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))		BDBM132099
PNG
(USRE45173, 1A)
Show SMILES O=C1N(CCN1c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H15N3O/c22-18-20(10-11-21(18)17-6-3-9-19-13-17)16-8-7-14-4-1-2-5-15(14)12-16/h1-9,12-13H,10-11H2
PDB

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n/an/a 34n/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))		BDBM132136
PNG
(USRE45173, 69A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccccc1
Show InChI InChI=1S/C15H15N3O/c1-12-7-8-16-11-14(12)18-10-9-17(15(18)19)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
PDB

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n/an/a 34n/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))		BDBM132167
PNG
(USRE45173, 106A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cccc(c1)C#N
Show InChI InChI=1S/C16H14N4O/c1-12-5-6-18-11-15(12)20-8-7-19(16(20)21)14-4-2-3-13(9-14)10-17/h2-6,9,11H,7-8H2,1H3
PDB

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n/an/a 35n/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))		BDBM132135
PNG
(USRE45173, 64A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2OC(F)(F)Oc2c1
Show InChI InChI=1S/C16H13F2N3O3/c1-10-4-5-19-9-12(10)21-7-6-20(15(21)22)11-2-3-13-14(8-11)24-16(17,18)23-13/h2-5,8-9H,6-7H2,1H3
PDB

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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))		BDBM132099
PNG
(USRE45173, 1A)
Show SMILES O=C1N(CCN1c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H15N3O/c22-18-20(10-11-21(18)17-6-3-9-19-13-17)16-8-7-14-4-1-2-5-15(14)12-16/h1-9,12-13H,10-11H2
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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))		BDBM132210
PNG
(USRE45173, 149A)
Show SMILES COC(OC)c1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C18H18N4O3S/c1-24-17(25-2)13-5-6-19-10-15(13)22-8-7-21(18(22)23)12-3-4-14-16(9-12)26-11-20-14/h3-6,9-11,17H,7-8H2,1-2H3
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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))		BDBM132228
PNG
(USRE45173, 167A)
Show SMILES CC1CN(C(=O)N1c1cnccc1C)c1ccc2ncsc2c1
Show InChI InChI=1S/C17H16N4OS/c1-11-5-6-18-8-15(11)21-12(2)9-20(17(21)22)13-3-4-14-16(7-13)23-10-19-14/h3-8,10,12H,9H2,1-2H3
PDB

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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))		BDBM132219
PNG
(USRE45173, 158A | USRE45173, 195A)
Show SMILES CC(O)c1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C17H16N4O2S/c1-11(22)13-4-5-18-9-15(13)21-7-6-20(17(21)23)12-2-3-14-16(8-12)24-10-19-14/h2-5,8-11,22H,6-7H2,1H3
PDB

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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))		BDBM132219
PNG
(USRE45173, 158A | USRE45173, 195A)
Show SMILES CC(O)c1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C17H16N4O2S/c1-11(22)13-4-5-18-9-15(13)21-7-6-20(17(21)23)12-2-3-14-16(8-12)24-10-19-14/h2-5,8-11,22H,6-7H2,1H3
PDB

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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))		BDBM132232
PNG
(USRE45173, 176A)
Show SMILES O=C1N(CCN1c1cnccc1CN1CCCC1)c1ccc2ncsc2c1
Show InChI InChI=1S/C20H21N5OS/c26-20-24(16-3-4-17-19(11-16)27-14-22-17)9-10-25(20)18-12-21-6-5-15(18)13-23-7-1-2-8-23/h3-6,11-12,14H,1-2,7-10,13H2
PDB

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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))		BDBM132189
PNG
(USRE45173, 128A)
Show SMILES FC(F)(F)c1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C16H11F3N4OS/c17-16(18,19)11-3-4-20-8-13(11)23-6-5-22(15(23)24)10-1-2-12-14(7-10)25-9-21-12/h1-4,7-9H,5-6H2
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n/an/a 44n/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))		BDBM132161
PNG
(USRE45173, 100A)
Show SMILES Cc1cc(ccn1)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C15H16N4O/c1-11-3-5-16-10-14(11)19-8-7-18(15(19)20)13-4-6-17-12(2)9-13/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 46n/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))		BDBM132162
PNG
(USRE45173, 101A)
Show SMILES Cc1noc2ccc(cc12)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C17H16N4O2/c1-11-5-6-18-10-15(11)21-8-7-20(17(21)22)13-3-4-16-14(9-13)12(2)19-23-16/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 46n/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))		BDBM132125
PNG
(USRE45173, 50A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O/c1-11-6-7-20-10-14(11)22-9-8-21(15(22)23)13-4-2-12(3-5-13)16(17,18)19/h2-7,10H,8-9H2,1H3
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n/an/a 51n/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))		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 52n/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))		BDBM132110
PNG
(USRE45173, 20A)
Show SMILES CCn1c2ccc(cc2c(C)cc1=O)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C21H22N4O2/c1-4-23-18-6-5-16(12-17(18)15(3)11-20(23)26)24-9-10-25(21(24)27)19-13-22-8-7-14(19)2/h5-8,11-13H,4,9-10H2,1-3H3
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n/an/a 56n/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))		BDBM132120
PNG
(USRE45173, 38A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClN3O/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 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))		BDBM132225
PNG
(USRE45173, 164A | USRE45173, 201A)
Show SMILES CC1(C)CN(C(=O)N1c1cccnc1)c1ccc2ncsc2c1
Show InChI InChI=1S/C17H16N4OS/c1-17(2)10-20(12-5-6-14-15(8-12)23-11-19-14)16(22)21(17)13-4-3-7-18-9-13/h3-9,11H,10H2,1-2H3
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n/an/a 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))		BDBM132225
PNG
(USRE45173, 164A | USRE45173, 201A)
Show SMILES CC1(C)CN(C(=O)N1c1cccnc1)c1ccc2ncsc2c1
Show InChI InChI=1S/C17H16N4OS/c1-17(2)10-20(12-5-6-14-15(8-12)23-11-19-14)16(22)21(17)13-4-3-7-18-9-13/h3-9,11H,10H2,1-2H3
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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))		BDBM132114
PNG
(USRE45173, 24A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C18H16N4O/c1-13-6-7-19-12-17(13)22-9-8-21(18(22)23)15-10-14-4-2-3-5-16(14)20-11-15/h2-7,10-12H,8-9H2,1H3
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n/an/a 72n/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))		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 76n/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))		BDBM132140
PNG
(USRE45173, 74A)
Show SMILES COc1cc(ccc1F)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C16H16FN3O2/c1-11-5-6-18-10-14(11)20-8-7-19(16(20)21)12-3-4-13(17)15(9-12)22-2/h3-6,9-10H,7-8H2,1-2H3
PDB

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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))		BDBM132100
PNG
(USRE45173, 4A)
Show SMILES O=C1N(CCN1c1ccc2ncsc2c1)c1cccnc1
Show InChI InChI=1S/C15H12N4OS/c20-15-18(6-7-19(15)12-2-1-5-16-9-12)11-3-4-13-14(8-11)21-10-17-13/h1-5,8-10H,6-7H2
PDB

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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))		BDBM132222
PNG
(USRE45173, 161A | USRE45173, 198A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2c(n[nH]c2c1)C1CC1
Show InChI InChI=1S/C19H19N5O/c1-12-6-7-20-11-17(12)24-9-8-23(19(24)25)14-4-5-15-16(10-14)21-22-18(15)13-2-3-13/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,21,22)
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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))		BDBM132222
PNG
(USRE45173, 161A | USRE45173, 198A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2c(n[nH]c2c1)C1CC1
Show InChI InChI=1S/C19H19N5O/c1-12-6-7-20-11-17(12)24-9-8-23(19(24)25)14-4-5-15-16(10-14)21-22-18(15)13-2-3-13/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,21,22)
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n/an/a 82n/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))		BDBM132200
PNG
(USRE45173, 139A)
Show SMILES Cc1ccncc1-n1ccn(-c2ccc3sccc3c2)c1=O
Show InChI InChI=1S/C17H13N3OS/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/h2-11H,1H3
PDB

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n/an/a 83n/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))		BDBM132231
PNG
(USRE45173, 175A)
Show SMILES CC1C(N(C(=O)N1c1cnccc1C)c1ccc2ncsc2c1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N4OS/c1-10-5-6-22-8-14(10)24-11(2)16(18(19,20)21)25(17(24)26)12-3-4-13-15(7-12)27-9-23-13/h3-9,11,16H,1-2H3
PDB

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n/an/a 85n/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))		BDBM132145
PNG
(USRE45173, 84A)
Show SMILES Clc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C15H11ClN4OS/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
PDB

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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))		BDBM132215
PNG
(USRE45173, 154A | USRE45173, 190A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cnsc1
Show InChI InChI=1S/C12H12N4OS/c1-9-2-3-13-7-11(9)16-5-4-15(12(16)17)10-6-14-18-8-10/h2-3,6-8H,4-5H2,1H3
PDB

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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))		BDBM132215
PNG
(USRE45173, 154A | USRE45173, 190A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cnsc1
Show InChI InChI=1S/C12H12N4OS/c1-9-2-3-13-7-11(9)16-5-4-15(12(16)17)10-6-14-18-8-10/h2-3,6-8H,4-5H2,1H3
PDB

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n/an/a 89n/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))		BDBM132178
PNG
(USRE45173, 117A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2[nH][nH]c(=O)c2c1
Show InChI InChI=1S/C16H15N5O2/c1-10-4-5-17-9-14(10)21-7-6-20(16(21)23)11-2-3-13-12(8-11)15(22)19-18-13/h2-5,8-9H,6-7H2,1H3,(H2,18,19,22)
PDB

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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))		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 96n/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))		BDBM132103
PNG
(USRE45173, 11A)
Show SMILES Cc1cc(Cl)nc2ccc(cc12)N1CCN(C1=O)c1cccnc1
Show InChI InChI=1S/C18H15ClN4O/c1-12-9-17(19)21-16-5-4-13(10-15(12)16)22-7-8-23(18(22)24)14-3-2-6-20-11-14/h2-6,9-11H,7-8H2,1H3
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n/an/a 97n/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))		BDBM132201
PNG
(USRE45173, 140A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C16H13FN4O/c1-11-4-5-19-10-15(11)21-7-6-20(16(21)22)13-3-2-12(9-18)14(17)8-13/h2-5,8,10H,6-7H2,1H3
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n/an/a 97n/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))		BDBM132192
PNG
(USRE45173, 131A)
Show SMILES Cc1cccc(c1)N1CCN(C1=O)c1cnccc1C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O/c1-11-3-2-4-12(9-11)21-7-8-22(15(21)23)14-10-20-6-5-13(14)16(17,18)19/h2-6,9-10H,7-8H2,1H3
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n/an/a 103n/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))		BDBM132172
PNG
(USRE45173, 111A)
Show SMILES Cc1noc2cc(ccc12)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C17H16N4O2/c1-11-5-6-18-10-15(11)21-8-7-20(17(21)22)13-3-4-14-12(2)19-23-16(14)9-13/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 106n/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))		BDBM132119
PNG
(USRE45173, 31A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccsc1
Show InChI InChI=1S/C13H13N3OS/c1-10-2-4-14-8-12(10)16-6-5-15(13(16)17)11-3-7-18-9-11/h2-4,7-9H,5-6H2,1H3
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n/an/a 108n/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))		BDBM132139
PNG
(USRE45173, 73A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccn2ccnc2c1
Show InChI InChI=1S/C16H15N5O/c1-12-2-4-17-11-14(12)21-9-8-20(16(21)22)13-3-6-19-7-5-18-15(19)10-13/h2-7,10-11H,8-9H2,1H3
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n/an/a 109n/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))		BDBM132155
PNG
(USRE45173, 94A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2nccn2c1
Show InChI InChI=1S/C16H15N5O/c1-12-4-5-17-10-14(12)21-9-8-20(16(21)22)13-2-3-15-18-6-7-19(15)11-13/h2-7,10-11H,8-9H2,1H3
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n/an/a 110n/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))		BDBM132204
PNG
(USRE45173, 143A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2c(N)nn(C)c2c1
Show InChI InChI=1S/C17H18N6O/c1-11-5-6-19-10-15(11)23-8-7-22(17(23)24)12-3-4-13-14(9-12)21(2)20-16(13)18/h3-6,9-10H,7-8H2,1-2H3,(H2,18,20)
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n/an/a 116n/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))		BDBM132156
PNG
(USRE45173, 95A)
Show SMILES Cc1n[nH]c2ccc(cc12)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C17H17N5O/c1-11-5-6-18-10-16(11)22-8-7-21(17(22)23)13-3-4-15-14(9-13)12(2)19-20-15/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
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n/an/a 119n/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))		BDBM132128
PNG
(USRE45173, 53A)
Show SMILES COc1ccc(cc1F)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C16H16FN3O2/c1-11-5-6-18-10-14(11)20-8-7-19(16(20)21)12-3-4-15(22-2)13(17)9-12/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 136n/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))		BDBM132101
PNG
(USRE45173, 6A)
Show SMILES Cc1c(sc2ccc(F)cc12)N1CCN(C1=O)c1cccnc1
Show InChI InChI=1S/C17H14FN3OS/c1-11-14-9-12(18)4-5-15(14)23-16(11)21-8-7-20(17(21)22)13-3-2-6-19-10-13/h2-6,9-10H,7-8H2,1H3
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n/an/a 157n/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))		BDBM132170
PNG
(USRE45173, 109A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1csc2ccccc12
Show InChI InChI=1S/C17H15N3OS/c1-12-6-7-18-10-14(12)19-8-9-20(17(19)21)15-11-22-16-5-3-2-4-13(15)16/h2-7,10-11H,8-9H2,1H3
PDB

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n/an/a 158n/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))		BDBM132176
PNG
(USRE45173, 115A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cc2ccccc2n1C
Show InChI InChI=1S/C18H18N4O/c1-13-7-8-19-12-16(13)21-9-10-22(18(21)23)17-11-14-5-3-4-6-15(14)20(17)2/h3-8,11-12H,9-10H2,1-2H3
PDB

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n/an/a 173n/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))		BDBM132205
PNG
(USRE45173, 144A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C17H16N4O/c1-12-4-6-18-11-16(12)21-9-8-20(17(21)22)14-3-2-13-5-7-19-15(13)10-14/h2-7,10-11,19H,8-9H2,1H3
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n/an/a 174n/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))		BDBM132142
PNG
(USRE45173, 76A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccnc(N)c1
Show InChI InChI=1S/C14H15N5O/c1-10-2-4-16-9-12(10)19-7-6-18(14(19)20)11-3-5-17-13(15)8-11/h2-5,8-9H,6-7H2,1H3,(H2,15,17)
PDB

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n/an/a 192n/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))		BDBM132143
PNG
(USRE45173, 77A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2nccnc2c1
Show InChI InChI=1S/C17H15N5O/c1-12-4-5-18-11-16(12)22-9-8-21(17(22)23)13-2-3-14-15(10-13)20-7-6-19-14/h2-7,10-11H,8-9H2,1H3
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n/an/a 195n/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))		BDBM132242
PNG
(USRE45173, 188A)
Show SMILES Cn1cncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C14H13N5OS/c1-17-8-15-7-13(17)19-5-4-18(14(19)20)10-2-3-11-12(6-10)21-9-16-11/h2-3,6-9H,4-5H2,1H3
PDB

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n/an/a 195n/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))		BDBM132190
PNG
(USRE45173, 129A)
Show SMILES O=C1N(CCN1c1cnccc1C#N)c1ccc2ncsc2c1
Show InChI InChI=1S/C16H11N5OS/c17-8-11-3-4-18-9-14(11)21-6-5-20(16(21)22)12-1-2-13-15(7-12)23-10-19-13/h1-4,7,9-10H,5-6H2
PDB

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n/an/a 202n/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))		BDBM132174
PNG
(USRE45173, 113A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2oncc2c1
Show InChI InChI=1S/C16H14N4O2/c1-11-4-5-17-10-14(11)20-7-6-19(16(20)21)13-2-3-15-12(8-13)9-18-22-15/h2-5,8-10H,6-7H2,1H3
PDB

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n/an/a 230n/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))		BDBM132148
PNG
(USRE45173, 87A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H18FN3O/c1-15-10-11-23-14-20(15)25-13-12-24(21(25)26)19-8-4-17(5-9-19)16-2-6-18(22)7-3-16/h2-11,14H,12-13H2,1H3
PDB

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n/an/a 255n/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))		BDBM132214
PNG
(USRE45173, 153A | USRE45173, 189A)
Show SMILES Cc1c(cncc1C(F)(F)F)N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C17H13F3N4OS/c1-10-12(17(18,19)20)7-21-8-14(10)24-5-4-23(16(24)25)11-2-3-13-15(6-11)26-9-22-13/h2-3,6-9H,4-5H2,1H3
PDB

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n/an/a 280n/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))		BDBM132214
PNG
(USRE45173, 153A | USRE45173, 189A)
Show SMILES Cc1c(cncc1C(F)(F)F)N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C17H13F3N4OS/c1-10-12(17(18,19)20)7-21-8-14(10)24-5-4-23(16(24)25)11-2-3-13-15(6-11)26-9-22-13/h2-3,6-9H,4-5H2,1H3
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n/an/a 280n/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))		BDBM132223
PNG
(USRE45173, 162A | USRE45173, 199A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2cccnc2c1
Show InChI InChI=1S/C18H16N4O/c1-13-6-8-19-12-17(13)22-10-9-21(18(22)23)15-5-4-14-3-2-7-20-16(14)11-15/h2-8,11-12H,9-10H2,1H3
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n/an/a 317n/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))		BDBM132223
PNG
(USRE45173, 162A | USRE45173, 199A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2cccnc2c1
Show InChI InChI=1S/C18H16N4O/c1-13-6-8-19-12-17(13)22-10-9-21(18(22)23)15-5-4-14-3-2-7-20-16(14)11-15/h2-8,11-12H,9-10H2,1H3
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n/an/a 317n/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))		BDBM132230
PNG
(USRE45173, 172A)
Show SMILES Cc1ccncc1N1CC(N(C1=O)c1ccc2ncsc2c1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N4OS/c1-10-4-5-21-7-13(10)23-8-15(17(18,19)20)24(16(23)25)11-2-3-12-14(6-11)26-9-22-12/h2-7,9,15H,8H2,1H3
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n/an/a 326n/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))		BDBM132150
PNG
(USRE45173, 89A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(Cl)cc1C
Show InChI InChI=1S/C16H16ClN3O/c1-11-5-6-18-10-15(11)20-8-7-19(16(20)21)14-4-3-13(17)9-12(14)2/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 326n/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))		BDBM132168
PNG
(USRE45173, 107A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H16N4O/c1-12-6-7-18-10-15(12)20-8-9-21(17(20)22)16-11-19-14-5-3-2-4-13(14)16/h2-7,10-11,19H,8-9H2,1H3
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n/an/a 334n/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))		BDBM132208
PNG
(USRE45173, 147A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2N(CO)C(=O)C(C)(C)c2c1
Show InChI InChI=1S/C20H22N4O3/c1-13-6-7-21-11-17(13)23-9-8-22(19(23)27)14-4-5-16-15(10-14)20(2,3)18(26)24(16)12-25/h4-7,10-11,25H,8-9,12H2,1-3H3
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n/an/a 346n/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))		BDBM132158
PNG
(USRE45173, 97A)
Show SMILES COc1nccc2sc(cc12)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C17H16N4O2S/c1-11-3-5-18-10-13(11)20-7-8-21(17(20)22)15-9-12-14(24-15)4-6-19-16(12)23-2/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 356n/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))		BDBM132169
PNG
(USRE45173, 108A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C16H15N5O/c1-11-4-5-17-9-15(11)21-7-6-20(16(21)22)12-2-3-13-14(8-12)19-10-18-13/h2-5,8-10H,6-7H2,1H3,(H,18,19)
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n/an/a 363n/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))		BDBM132183
PNG
(USRE45173, 122A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cnc2[nH]cnc2c1
Show InChI InChI=1S/C15H14N6O/c1-10-2-3-16-8-13(10)21-5-4-20(15(21)22)11-6-12-14(17-7-11)19-9-18-12/h2-3,6-9H,4-5H2,1H3,(H,17,18,19)
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n/an/a 383n/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))		BDBM132229
PNG
(USRE45173, 168A)
Show SMILES CCc1cn(-c2ccc3ncsc3c2)c(=O)n1-c1cnccc1C |(.26,-4.97,;1.35,-3.88,;.95,-2.39,;-.51,-1.92,;-.51,-.38,;-1.6,.71,;-1.2,2.2,;-2.29,3.29,;-3.78,2.89,;-5.07,3.73,;-6.27,2.76,;-5.72,1.32,;-4.18,1.4,;-3.09,.31,;.95,.1,;1.72,1.43,;1.86,-1.15,;3.19,-.38,;3.96,.96,;5.5,.96,;6.27,-.38,;5.5,-1.71,;3.96,-1.71,;3.19,-3.05,)|
Show InChI InChI=1S/C18H16N4OS/c1-3-13-10-21(14-4-5-15-17(8-14)24-11-20-15)18(23)22(13)16-9-19-7-6-12(16)2/h4-11H,3H2,1-2H3
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n/an/a 384n/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))		BDBM132134
PNG
(USRE45173, 62A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2scnc2c1
Show InChI InChI=1S/C16H14N4OS/c1-11-4-5-17-9-14(11)20-7-6-19(16(20)21)12-2-3-15-13(8-12)18-10-22-15/h2-5,8-10H,6-7H2,1H3
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n/an/a 426n/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))		BDBM132211
PNG
(USRE45173, 150A)
Show SMILES CC(=O)Nc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C17H15N5O2S/c1-11(23)20-13-4-5-18-9-15(13)22-7-6-21(17(22)24)12-2-3-14-16(8-12)25-10-19-14/h2-5,8-10H,6-7H2,1H3,(H,18,20,23)
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n/an/a 496n/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))		BDBM132197
PNG
(USRE45173, 136A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1csc2ccncc12
Show InChI InChI=1S/C16H14N4OS/c1-11-2-4-18-9-13(11)19-6-7-20(16(19)21)14-10-22-15-3-5-17-8-12(14)15/h2-5,8-10H,6-7H2,1H3
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n/an/a 500n/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))		BDBM132195
PNG
(USRE45173, 134A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C18H18N4O/c1-13-5-7-19-12-17(13)22-10-9-21(18(22)23)15-3-4-16-14(11-15)6-8-20(16)2/h3-8,11-12H,9-10H2,1-2H3
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n/an/a 950n/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))		BDBM132226
PNG
(USRE45173, 165A | USRE45173, 202A)
Show SMILES Cc1ccncc1N1C(=O)N(CC1(C)C)c1ccc2ncsc2c1
Show InChI InChI=1S/C18H18N4OS/c1-12-6-7-19-9-15(12)22-17(23)21(10-18(22,2)3)13-4-5-14-16(8-13)24-11-20-14/h4-9,11H,10H2,1-3H3
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n/an/a 1.15E+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))		BDBM132226
PNG
(USRE45173, 165A | USRE45173, 202A)
Show SMILES Cc1ccncc1N1C(=O)N(CC1(C)C)c1ccc2ncsc2c1
Show InChI InChI=1S/C18H18N4OS/c1-12-6-7-19-9-15(12)22-17(23)21(10-18(22,2)3)13-4-5-14-16(8-13)24-11-20-14/h4-9,11H,10H2,1-3H3
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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))		BDBM132147
PNG
(USRE45173, 86A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cccc(Cl)c1F
Show InChI InChI=1S/C15H13ClFN3O/c1-10-5-6-18-9-13(10)20-8-7-19(15(20)21)12-4-2-3-11(16)14(12)17/h2-6,9H,7-8H2,1H3
PDB

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n/an/a 1.20E+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))		BDBM132146
PNG
(USRE45173, 85A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccnc(c1)N1CCCC1
Show InChI InChI=1S/C18H21N5O/c1-14-4-6-19-13-16(14)23-11-10-22(18(23)24)15-5-7-20-17(12-15)21-8-2-3-9-21/h4-7,12-13H,2-3,8-11H2,1H3
PDB

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n/an/a 1.26E+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))		BDBM132166
PNG
(USRE45173, 105A)
Show SMILES Cc1nc2ccc(cc2s1)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C17H16N4OS/c1-11-5-6-18-10-15(11)21-8-7-20(17(21)22)13-3-4-14-16(9-13)23-12(2)19-14/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 1.47E+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))		BDBM132198
PNG
(USRE45173, 137A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cn(C)c2ccc(Cl)cc12
Show InChI InChI=1S/C18H17ClN4O/c1-12-5-6-20-10-16(12)22-7-8-23(18(22)24)17-11-21(2)15-4-3-13(19)9-14(15)17/h3-6,9-11H,7-8H2,1-2H3
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n/an/a 1.55E+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))		BDBM132194
PNG
(USRE45173, 133A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cccc2ccccc12
Show InChI InChI=1S/C19H17N3O/c1-14-9-10-20-13-18(14)22-12-11-21(19(22)23)17-8-4-6-15-5-2-3-7-16(15)17/h2-10,13H,11-12H2,1H3
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n/an/a 1.97E+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))		BDBM132165
PNG
(USRE45173, 104A)
Show SMILES Cc1cn2cc(ccc2n1)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C17H17N5O/c1-12-5-6-18-9-15(12)22-8-7-21(17(22)23)14-3-4-16-19-13(2)10-20(16)11-14/h3-6,9-11H,7-8H2,1-2H3
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n/an/a 1.99E+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))		BDBM132235
PNG
(USRE45173, 181A)
Show SMILES CN1CCC[C@H]1COc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1 |r|
Show InChI InChI=1S/C21H23N5O2S/c1-24-8-2-3-16(24)13-28-19-6-7-22-12-18(19)26-10-9-25(21(26)27)15-4-5-17-20(11-15)29-14-23-17/h4-7,11-12,14,16H,2-3,8-10,13H2,1H3/t16-/m0/s1
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n/an/a 3.06E+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))		BDBM132180
PNG
(USRE45173, 119A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cnc2ccccn12
Show InChI InChI=1S/C16H15N5O/c1-12-5-6-17-10-13(12)19-8-9-21(16(19)22)15-11-18-14-4-2-3-7-20(14)15/h2-7,10-11H,8-9H2,1H3
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n/an/a 3.20E+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))		BDBM132181
PNG
(USRE45173, 120A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cc2cnccc2s1
Show InChI InChI=1S/C16H14N4OS/c1-11-2-4-18-10-13(11)19-6-7-20(16(19)21)15-8-12-9-17-5-3-14(12)22-15/h2-5,8-10H,6-7H2,1H3
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n/an/a 4.00E+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))		BDBM132157
PNG
(USRE45173, 96A)
Show SMILES CC(=O)Nc1cc(ccn1)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C16H17N5O2/c1-11-3-5-17-10-14(11)21-8-7-20(16(21)23)13-4-6-18-15(9-13)19-12(2)22/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,22)
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n/an/a>1.00E+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))		BDBM132217
PNG
(USRE45173, 156A | USRE45173, 193A)
Show SMILES CC(C)(O)c1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C18H18N4O2S/c1-18(2,24)13-5-6-19-10-15(13)22-8-7-21(17(22)23)12-3-4-14-16(9-12)25-11-20-14/h3-6,9-11,24H,7-8H2,1-2H3
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n/an/a>1.00E+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))		BDBM132141
PNG
(USRE45173, 75A)
Show SMILES CC(=O)Nc1ccc(cn1)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C16H17N5O2/c1-11-5-6-17-10-14(11)21-8-7-20(16(21)23)13-3-4-15(18-9-13)19-12(2)22/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,22)
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n/an/a>1.00E+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))		BDBM132217
PNG
(USRE45173, 156A | USRE45173, 193A)
Show SMILES CC(C)(O)c1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C18H18N4O2S/c1-18(2,24)13-5-6-19-10-15(13)22-8-7-21(17(22)23)12-3-4-14-16(9-12)25-11-20-14/h3-6,9-11,24H,7-8H2,1-2H3
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n/an/a>1.00E+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))		BDBM132241
PNG
(USRE45173, 187A)
Show SMILES O=C1N(CCN1c1cnc2[nH]ccc2c1)c1ccc2ncsc2c1
Show InChI InChI=1S/C17H13N5OS/c23-17-21(12-1-2-14-15(8-12)24-10-20-14)5-6-22(17)13-7-11-3-4-18-16(11)19-9-13/h1-4,7-10H,5-6H2,(H,18,19)
PDB

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n/an/a>1.00E+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))		BDBM132154
PNG
(USRE45173, 93A)
Show SMILES Cc1nc2cc(ccc2o1)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C17H16N4O2/c1-11-5-6-18-10-15(11)21-8-7-20(17(21)22)13-3-4-16-14(9-13)19-12(2)23-16/h3-6,9-10H,7-8H2,1-2H3
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n/an/a>1.00E+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))		BDBM132238
PNG
(USRE45173, 184A)
Show SMILES CN1CCC(COc2ccncc2N2CCN(C2=O)c2ccc3ncsc3c2)CC1
Show InChI InChI=1S/C22H25N5O2S/c1-25-8-5-16(6-9-25)14-29-20-4-7-23-13-19(20)27-11-10-26(22(27)28)17-2-3-18-21(12-17)30-15-24-18/h2-4,7,12-13,15-16H,5-6,8-11,14H2,1H3
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n/an/a>1.00E+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))		BDBM132240
PNG
(USRE45173, 186A)
Show SMILES O=C1N(CCN1c1cncc2nccn12)c1ccc2ncsc2c1
Show InChI InChI=1S/C16H12N6OS/c23-16-20(11-1-2-12-13(7-11)24-10-19-12)5-6-22(16)15-9-17-8-14-18-3-4-21(14)15/h1-4,7-10H,5-6H2
PDB

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n/an/a>1.00E+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))		BDBM132171
PNG
(USRE45173, 110A)
Show SMILES COc1nccc2scc(N3CCN(C3=O)c3cnccc3C)c12
Show InChI InChI=1S/C17H16N4O2S/c1-11-3-5-18-9-12(11)20-7-8-21(17(20)22)13-10-24-14-4-6-19-16(23-2)15(13)14/h3-6,9-10H,7-8H2,1-2H3
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n/an/a>1.00E+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))		BDBM132188
PNG
(USRE45173, 127A)
Show SMILES Cc1ccc(cn1)N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C16H14N4OS/c1-11-2-3-13(9-17-11)20-7-6-19(16(20)21)12-4-5-14-15(8-12)22-10-18-14/h2-5,8-10H,6-7H2,1H3
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n/an/a>1.00E+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))		BDBM132191
PNG
(USRE45173, 130A)
Show SMILES Cc1ccncc1N1CCCN(C1=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H19N3O/c1-15-9-10-21-14-19(15)23-12-4-11-22(20(23)24)18-8-7-16-5-2-3-6-17(16)13-18/h2-3,5-10,13-14H,4,11-12H2,1H3
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n/an/a>1.00E+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))		BDBM132193
PNG
(USRE45173, 132A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2nn(C)cc2c1
Show InChI InChI=1S/C17H17N5O/c1-12-5-6-18-10-16(12)22-8-7-21(17(22)23)14-3-4-15-13(9-14)11-20(2)19-15/h3-6,9-11H,7-8H2,1-2H3
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n/an/a>1.00E+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))		BDBM132207
PNG
(USRE45173, 146A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cn(C)c2cccc(C#N)c12
Show InChI InChI=1S/C19H17N5O/c1-13-6-7-21-11-16(13)23-8-9-24(19(23)25)17-12-22(2)15-5-3-4-14(10-20)18(15)17/h3-7,11-12H,8-9H2,1-2H3
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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))		BDBM132224
PNG
(USRE45173, 163A | USRE45173, 200A)
Show SMILES Cc1ccncc1N1CC(C)(C)N(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C18H18N4OS/c1-12-6-7-19-9-15(12)21-10-18(2,3)22(17(21)23)13-4-5-14-16(8-13)24-11-20-14/h4-9,11H,10H2,1-3H3
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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))		BDBM132237
PNG
(USRE45173, 183A)
Show SMILES O=C1N(CCN1c1cnc2[nH]cnc2c1)c1ccc2ncsc2c1
Show InChI InChI=1S/C16H12N6OS/c23-16-21(10-1-2-12-14(6-10)24-9-20-12)3-4-22(16)11-5-13-15(17-7-11)19-8-18-13/h1-2,5-9H,3-4H2,(H,17,18,19)
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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))		BDBM132245
PNG
(USRE45173, 191A)
Show SMILES O=C1N(CCN1c1ccccn1)c1ccc2ncsc2c1
Show InChI InChI=1S/C15H12N4OS/c20-15-18(7-8-19(15)14-3-1-2-6-16-14)11-4-5-12-13(9-11)21-10-17-12/h1-6,9-10H,7-8H2
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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))		BDBM132177
PNG
(USRE45173, 116A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2n(C)cnc2c1
Show InChI InChI=1S/C17H17N5O/c1-12-5-6-18-10-16(12)22-8-7-21(17(22)23)13-3-4-15-14(9-13)19-11-20(15)2/h3-6,9-11H,7-8H2,1-2H3
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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))		BDBM132224
PNG
(USRE45173, 163A | USRE45173, 200A)
Show SMILES Cc1ccncc1N1CC(C)(C)N(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C18H18N4OS/c1-12-6-7-19-9-15(12)21-10-18(2,3)22(17(21)23)13-4-5-14-16(8-13)24-11-20-14/h4-9,11H,10H2,1-3H3
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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))		BDBM132239
PNG
(USRE45173, 185A)
Show SMILES NC(=O)c1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C16H13N5O2S/c17-15(22)11-3-4-18-8-13(11)21-6-5-20(16(21)23)10-1-2-12-14(7-10)24-9-19-12/h1-4,7-9H,5-6H2,(H2,17,22)
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n/an/a>1.00E+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
* indicates data uncertainty>20%