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Patent code US9963443

Compile Data Set for Download or QSAR
Found 13 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
Cholesterol 24-hydroxylase (CH24H)


(Homo sapiens (Human))
BDBM393292
PNG
(US9963443, Reference Example 21)
Show SMILES Cc1cnc(s1)-c1ccncc1N1CCC(CC1)C(=O)N1CC(F)C1
Show InChI InChI=1S/C18H21FN4OS/c1-12-8-21-17(25-12)15-2-5-20-9-16(15)22-6-3-13(4-7-22)18(24)23-10-14(19)11-23/h2,5,8-9,13-14H,3-4,6-7,10-11H2,1H3
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.90n/an/an/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
For the measurement of CH24H inhibitory activity, using the human CH24H lysate prepared in Experimental Example 2, the amount of 24-HC produced from ...


US Patent US9963443 (2018)

More data for this
Ligand-Target Pair
Cholesterol 24-hydroxylase (CH24H)


(Homo sapiens (Human))
BDBM393278
PNG
(US9963443, Reference Example 1)
Show SMILES CN(C1CC1)C(=O)C1CCN(CC1)c1cncnc1-c1ccc(F)cc1
Show InChI InChI=1S/C20H23FN4O/c1-24(17-6-7-17)20(26)15-8-10-25(11-9-15)18-12-22-13-23-19(18)14-2-4-16(21)5-3-14/h2-5,12-13,15,17H,6-11H2,1H3
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.40n/an/an/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
For the measurement of CH24H inhibitory activity, using the human CH24H lysate prepared in Experimental Example 2, the amount of 24-HC produced from ...


US Patent US9963443 (2018)

More data for this
Ligand-Target Pair
Cholesterol 24-hydroxylase (CH24H)


(Homo sapiens (Human))
BDBM393291
PNG
(US9963443, Reference Example 20)
Show SMILES FC1CN(C1)C(=O)C1CCN(CC1)c1cnccc1-n1cc(Br)cn1
Show InChI InChI=1S/C17H19BrFN5O/c18-13-7-21-24(9-13)15-1-4-20-8-16(15)22-5-2-12(3-6-22)17(25)23-10-14(19)11-23/h1,4,7-9,12,14H,2-3,5-6,10-11H2
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.90n/an/an/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
For the measurement of CH24H inhibitory activity, using the human CH24H lysate prepared in Experimental Example 2, the amount of 24-HC produced from ...


US Patent US9963443 (2018)

More data for this
Ligand-Target Pair
Cholesterol 24-hydroxylase (CH24H)


(Homo sapiens (Human))
BDBM393282
PNG
(US9963443, Reference Example 4)
Show SMILES Cc1cnn(c1)-c1ccncc1N1CCC(CC1)C(=O)N1CC(F)C1
Show InChI InChI=1S/C18H22FN5O/c1-13-8-21-24(10-13)16-2-5-20-9-17(16)22-6-3-14(4-7-22)18(25)23-11-15(19)12-23/h2,5,8-10,14-15H,3-4,6-7,11-12H2,1H3
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.10n/an/an/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
For the measurement of CH24H inhibitory activity, using the human CH24H lysate prepared in Experimental Example 2, the amount of 24-HC produced from ...


US Patent US9963443 (2018)

More data for this
Ligand-Target Pair
Cholesterol 24-hydroxylase (CH24H)


(Homo sapiens (Human))
BDBM393280
PNG
(US9963443, Reference Example 3)
Show SMILES CN(C1CCOCC1)C(=O)C1CCN(CC1)c1cnccc1-n1cc(Cl)cn1
Show InChI InChI=1S/C20H26ClN5O2/c1-24(17-5-10-28-11-6-17)20(27)15-3-8-25(9-4-15)19-13-22-7-2-18(19)26-14-16(21)12-23-26/h2,7,12-15,17H,3-6,8-11H2,1H3
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.40n/an/an/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
For the measurement of CH24H inhibitory activity, using the human CH24H lysate prepared in Experimental Example 2, the amount of 24-HC produced from ...


US Patent US9963443 (2018)

More data for this
Ligand-Target Pair
Cholesterol 24-hydroxylase (CH24H)


(Homo sapiens (Human))
BDBM393279
PNG
(US9963443, Reference Example 2)
Show SMILES FC1CN(C1)C(=O)C1CCN(CC1)c1cncnc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H20F2N4O/c20-15-3-1-13(2-4-15)18-17(9-22-12-23-18)24-7-5-14(6-8-24)19(26)25-10-16(21)11-25/h1-4,9,12,14,16H,5-8,10-11H2
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.80n/an/an/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
For the measurement of CH24H inhibitory activity, using the human CH24H lysate prepared in Experimental Example 2, the amount of 24-HC produced from ...


US Patent US9963443 (2018)

More data for this
Ligand-Target Pair
Cholesterol 24-hydroxylase (CH24H)


(Homo sapiens (Human))
BDBM393297
PNG
(US9963443, Reference Example 26)
Show SMILES FC1CN(C1)C(=O)C1CCN(CC1)c1cnccc1-n1cc(cn1)C1CC1
Show InChI InChI=1S/C20H24FN5O/c21-17-12-25(13-17)20(27)15-4-7-24(8-5-15)19-10-22-6-3-18(19)26-11-16(9-23-26)14-1-2-14/h3,6,9-11,14-15,17H,1-2,4-5,7-8,12-13H2
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
For the measurement of CH24H inhibitory activity, using the human CH24H lysate prepared in Experimental Example 2, the amount of 24-HC produced from ...


US Patent US9963443 (2018)

More data for this
Ligand-Target Pair
Cholesterol 24-hydroxylase (CH24H)


(Homo sapiens (Human))
BDBM393285
PNG
(US9963443, Reference Example 11)
Show SMILES F[C@@H]1CCN(C1)C(=O)C1CCN(CC1)c1cncnc1-c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N4O/c21-16-3-1-14(2-4-16)19-18(11-23-13-24-19)25-8-5-15(6-9-25)20(27)26-10-7-17(22)12-26/h1-4,11,13,15,17H,5-10,12H2/t17-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/an/an/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
For the measurement of CH24H inhibitory activity, using the human CH24H lysate prepared in Experimental Example 2, the amount of 24-HC produced from ...


US Patent US9963443 (2018)

More data for this
Ligand-Target Pair
Cholesterol 24-hydroxylase (CH24H)


(Homo sapiens (Human))
BDBM393288
PNG
(US9963443, Reference Example 14)
Show SMILES CN([C@@H]1CCOC1)C(=O)C1CCN(CC1)c1cnccc1-n1cc(Cl)cn1
Show InChI InChI=1S/C19H24ClN5O2/c1-23(16-5-9-27-13-16)19(26)14-3-7-24(8-4-14)18-11-21-6-2-17(18)25-12-15(20)10-22-25/h2,6,10-12,14,16H,3-5,7-9,13H2,1H3/t16-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
For the measurement of CH24H inhibitory activity, using the human CH24H lysate prepared in Experimental Example 2, the amount of 24-HC produced from ...


US Patent US9963443 (2018)

More data for this
Ligand-Target Pair
Cholesterol 24-hydroxylase (CH24H)


(Homo sapiens (Human))
BDBM393296
PNG
(US9963443, Reference Example 23)
Show SMILES Cc1cnn(c1)-c1ccncc1N1CCN(CC1)C(=O)N(CCF)Cc1ccc(F)cc1
Show InChI InChI=1S/C23H26F2N6O/c1-18-14-27-31(16-18)21-6-8-26-15-22(21)28-10-12-29(13-11-28)23(32)30(9-7-24)17-19-2-4-20(25)5-3-19/h2-6,8,14-16H,7,9-13,17H2,1H3
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
For the measurement of CH24H inhibitory activity, using the human CH24H lysate prepared in Experimental Example 2, the amount of 24-HC produced from ...


US Patent US9963443 (2018)

More data for this
Ligand-Target Pair
Cholesterol 24-hydroxylase (CH24H)


(Homo sapiens (Human))
BDBM393283
PNG
(US9963443, Reference Example 5)
Show SMILES FC1CN(C1)C(=O)C1CCN(CC1)c1cnccc1-n1cc(Cl)cn1
Show InChI InChI=1S/C17H19ClFN5O/c18-13-7-21-24(9-13)15-1-4-20-8-16(15)22-5-2-12(3-6-22)17(25)23-10-14(19)11-23/h1,4,7-9,12,14H,2-3,5-6,10-11H2
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/an/an/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
For the measurement of CH24H inhibitory activity, using the human CH24H lysate prepared in Experimental Example 2, the amount of 24-HC produced from ...


US Patent US9963443 (2018)

More data for this
Ligand-Target Pair
Cholesterol 24-hydroxylase (CH24H)


(Homo sapiens (Human))
BDBM393284
PNG
(US9963443, Reference Example 10)
Show SMILES F[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1cncnc1-c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N4O/c21-16-3-1-14(2-4-16)19-18(11-23-13-24-19)25-8-5-15(6-9-25)20(27)26-10-7-17(22)12-26/h1-4,11,13,15,17H,5-10,12H2/t17-/m0/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
For the measurement of CH24H inhibitory activity, using the human CH24H lysate prepared in Experimental Example 2, the amount of 24-HC produced from ...


US Patent US9963443 (2018)

More data for this
Ligand-Target Pair
Cholesterol 24-hydroxylase (CH24H)


(Homo sapiens (Human))
BDBM393286
PNG
(US9963443, Reference Example 13)
Show SMILES Clc1cnn(c1)-c1ccncc1CC1OCC[C@@H]1NC(=O)C1CCNCC1
Show InChI InChI=1S/C19H24ClN5O2/c20-15-11-23-25(12-15)17-3-7-22-10-14(17)9-18-16(4-8-27-18)24-19(26)13-1-5-21-6-2-13/h3,7,10-13,16,18,21H,1-2,4-6,8-9H2,(H,24,26)/t16-,18?/m0/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
For the measurement of CH24H inhibitory activity, using the human CH24H lysate prepared in Experimental Example 2, the amount of 24-HC produced from ...


US Patent US9963443 (2018)

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