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Patent code US10246419

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
lxrbeta gal


(Homo sapiens (Human))
BDBM372430
PNG
(1-(cyclopropylmethyl)- 5-(3'-(methylsulfonyl)- [1,...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-c1cc(nn1CC1CC1)C(F)(F)F
Show InChI InChI=1S/C21H19F3N2O2S/c1-29(27,28)18-4-2-3-17(11-18)15-7-9-16(10-8-15)19-12-20(21(22,23)24)25-26(19)13-14-5-6-14/h2-4,7-12,14H,5-6,13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1.00E+3n/an/an/an/a



RALEXAR THERAPEUTICS, INC.

US Patent


Assay Description
For transient transfection of HEK 293 cells, 6×103 cells are plated into 96-well dishes. Each well is transfected with 25 ng 5×UAS-luciferase reporte...


US Patent US10246419 (2019)

More data for this
Ligand-Target Pair
lxrbeta gal


(Homo sapiens (Human))
BDBM372431
PNG
(1-(sec-butyl)-5-(3'- (methylsulfonyl)-[1,1'- biphe...)
Show SMILES CCC(C)n1nc(cc1-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1/C21H21F3N2O2S/c1-4-14(2)26-19(13-20(25-26)21(22,23)24)16-10-8-15(9-11-16)17-6-5-7-18(12-17)29(3,27)28/h5-14H,4H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



RALEXAR THERAPEUTICS, INC.

US Patent


Assay Description
For transient transfection of HEK 293 cells, 6×103 cells are plated into 96-well dishes. Each well is transfected with 25 ng 5×UAS-luciferase reporte...


US Patent US10246419 (2019)

More data for this
Ligand-Target Pair
lxrbeta gal


(Homo sapiens (Human))
BDBM372425
PNG
(US10246419, Compound 8)
Show SMILES CCOC(=O)c1cn(c(CC(C)C)n1)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H26N2O4S/c1-5-29-23(26)21-15-25(22(24-21)13-16(2)3)19-11-9-17(10-12-19)18-7-6-8-20(14-18)30(4,27)28/h6-12,14-16H,5,13H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.50E+3n/an/an/an/a



RALEXAR THERAPEUTICS, INC.

US Patent


Assay Description
For transient transfection of HEK 293 cells, 6×103 cells are plated into 96-well dishes. Each well is transfected with 25 ng 5×UAS-luciferase reporte...


US Patent US10246419 (2019)

More data for this
Ligand-Target Pair
lxrbeta gal


(Homo sapiens (Human))
BDBM372424
PNG
(US10246419, Compound 10 | US10246419, Compound 7)
Show SMILES CCOC(=O)c1cc(-c2ccc(cc2)-c2ccc(CO)c(c2)S(C)(=O)=O)n(CC(C)C)n1
Show InChI InChI=1S/C24H28N2O5S/c1-5-31-24(28)21-13-22(26(25-21)14-16(2)3)18-8-6-17(7-9-18)19-10-11-20(15-27)23(12-19)32(4,29)30/h6-13,16,27H,5,14-15H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.50E+3n/an/an/an/a



RALEXAR THERAPEUTICS, INC.

US Patent


Assay Description
For transient transfection of HEK 293 cells, 6×103 cells are plated into 96-well dishes. Each well is transfected with 25 ng 5×UAS-luciferase reporte...


US Patent US10246419 (2019)

More data for this
Ligand-Target Pair
lxrbeta gal


(Homo sapiens (Human))
BDBM372428
PNG
(US10246419, Compound 11)
Show SMILES CCOC(=O)c1cc(-c2ccc(cc2)-c2cccc(c2)S(C)(=O)=O)n(CC(C)C)n1
Show InChI InChI=1S/C23H26N2O4S/c1-5-29-23(26)21-14-22(25(24-21)15-16(2)3)18-11-9-17(10-12-18)19-7-6-8-20(13-19)30(4,27)28/h6-14,16H,5,15H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.50E+3n/an/an/an/a



RALEXAR THERAPEUTICS, INC.

US Patent


Assay Description
For transient transfection of HEK 293 cells, 6×103 cells are plated into 96-well dishes. Each well is transfected with 25 ng 5×UAS-luciferase reporte...


US Patent US10246419 (2019)

More data for this
Ligand-Target Pair
lxrbeta gal


(Homo sapiens (Human))
BDBM372433
PNG
(US10246419, Compound 21)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-c1cc(nn1CC1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N2O2S/c1-32(30,31)21-9-5-8-20(14-21)18-10-12-19(13-11-18)22-15-23(24(25,26)27)28-29(22)16-17-6-3-2-4-7-17/h5,8-15,17H,2-4,6-7,16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1.00E+3n/an/an/an/a



RALEXAR THERAPEUTICS, INC.

US Patent


Assay Description
For transient transfection of HEK 293 cells, 6×103 cells are plated into 96-well dishes. Each well is transfected with 25 ng 5×UAS-luciferase reporte...


US Patent US10246419 (2019)

More data for this
Ligand-Target Pair
lxrbeta gal


(Homo sapiens (Human))
BDBM372424
PNG
(US10246419, Compound 10 | US10246419, Compound 7)
Show SMILES CCOC(=O)c1cc(-c2ccc(cc2)-c2ccc(CO)c(c2)S(C)(=O)=O)n(CC(C)C)n1
Show InChI InChI=1S/C24H28N2O5S/c1-5-31-24(28)21-13-22(26(25-21)14-16(2)3)18-8-6-17(7-9-18)19-10-11-20(15-27)23(12-19)32(4,29)30/h6-13,16,27H,5,14-15H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1.00E+3n/an/an/an/a



RALEXAR THERAPEUTICS, INC.

US Patent


Assay Description
For transient transfection of HEK 293 cells, 6×103 cells are plated into 96-well dishes. Each well is transfected with 25 ng 5×UAS-luciferase reporte...


US Patent US10246419 (2019)

More data for this
Ligand-Target Pair
lxrbeta gal


(Homo sapiens (Human))
BDBM372422
PNG
(US10246419, Compound 5)
Show SMILES CC(C)Cn1nc(cc1-c1ccc(cc1)-c1ccc(CO)c(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O3S/c1-14(2)12-27-19(11-21(26-27)22(23,24)25)16-6-4-15(5-7-16)17-8-9-18(13-28)20(10-17)31(3,29)30/h4-11,14,28H,12-13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1.00E+3n/an/an/an/a



RALEXAR THERAPEUTICS, INC.

US Patent


Assay Description
For transient transfection of HEK 293 cells, 6×103 cells are plated into 96-well dishes. Each well is transfected with 25 ng 5×UAS-luciferase reporte...


US Patent US10246419 (2019)

More data for this
Ligand-Target Pair
lxrbeta gal


(Homo sapiens (Human))
BDBM372429
PNG
(US10246419, Compound 12)
Show SMILES CC(C)Cn1nc(cc1-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)C(C)C
Show InChI InChI=1S/C23H28N2O2S/c1-16(2)15-25-23(14-22(24-25)17(3)4)19-11-9-18(10-12-19)20-7-6-8-21(13-20)28(5,26)27/h6-14,16-17H,15H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.50E+3n/an/an/an/a



RALEXAR THERAPEUTICS, INC.

US Patent


Assay Description
For transient transfection of HEK 293 cells, 6×103 cells are plated into 96-well dishes. Each well is transfected with 25 ng 5×UAS-luciferase reporte...


US Patent US10246419 (2019)

More data for this
Ligand-Target Pair
lxrbeta gal


(Homo sapiens (Human))
BDBM372432
PNG
(1-cyclohexyl-5-(3'- (methylsulfonyl)-[1,1'- biphen...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-c1cc(nn1C1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N2O2S/c1-31(29,30)20-9-5-6-18(14-20)16-10-12-17(13-11-16)21-15-22(23(24,25)26)27-28(21)19-7-3-2-4-8-19/h5-6,9-15,19H,2-4,7-8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



RALEXAR THERAPEUTICS, INC.

US Patent


Assay Description
For transient transfection of HEK 293 cells, 6×103 cells are plated into 96-well dishes. Each well is transfected with 25 ng 5×UAS-luciferase reporte...


US Patent US10246419 (2019)

More data for this
Ligand-Target Pair
lxrbeta gal


(Homo sapiens (Human))
BDBM372426
PNG
(US10246419, Compound 9)
Show SMILES CC(C)Cn1nc(cc1-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)C(C)=C
Show InChI InChI=1S/C23H26N2O2S/c1-16(2)15-25-23(14-22(24-25)17(3)4)19-11-9-18(10-12-19)20-7-6-8-21(13-20)28(5,26)27/h6-14,16H,3,15H2,1-2,4-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.50E+3n/an/an/an/a



RALEXAR THERAPEUTICS, INC.

US Patent


Assay Description
For transient transfection of HEK 293 cells, 6×103 cells are plated into 96-well dishes. Each well is transfected with 25 ng 5×UAS-luciferase reporte...


US Patent US10246419 (2019)

More data for this
Ligand-Target Pair
lxrbeta gal


(Homo sapiens (Human))
BDBM372423
PNG
(US10246419, Compound 6)
Show SMILES CC(C)Cn1nc(cc1-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C23H24F3N3O3S/c1-15(2)13-29-21(12-20(28-29)22(30)27-14-23(24,25)26)17-9-7-16(8-10-17)18-5-4-6-19(11-18)33(3,31)32/h4-12,15H,13-14H2,1-3H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1.00E+3n/an/an/an/a



RALEXAR THERAPEUTICS, INC.

US Patent


Assay Description
For transient transfection of HEK 293 cells, 6×103 cells are plated into 96-well dishes. Each well is transfected with 25 ng 5×UAS-luciferase reporte...


US Patent US10246419 (2019)

More data for this
Ligand-Target Pair
lxrbeta gal


(Homo sapiens (Human))
BDBM372421
PNG
(US10246419, Compound 4)
Show SMILES CC(C)Cn1nc(cc1-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C21H21F3N2O2S/c1-14(2)13-26-19(12-20(25-26)21(22,23)24)16-9-7-15(8-10-16)17-5-4-6-18(11-17)29(3,27)28/h4-12,14H,13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1.00E+3n/an/an/an/a



RALEXAR THERAPEUTICS, INC.

US Patent


Assay Description
For transient transfection of HEK 293 cells, 6×103 cells are plated into 96-well dishes. Each well is transfected with 25 ng 5×UAS-luciferase reporte...


US Patent US10246419 (2019)

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