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Patent code US10676438

Compile Data Set for Download or QSAR
Found 16 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM450373
PNG
(1-{2,6-dichloro-4-[(2R)-1,1,1-trifluoro-2-hydroxy-...)
Show SMILES Cc1cc(CNC(=O)Nc2c(Cl)cc(cc2Cl)[C@@](C)(O)C(F)(F)F)no1
Show InChI InChI=1S/C15H14Cl2F3N3O3/c1-7-3-9(23-26-7)6-21-13(24)22-12-10(16)4-8(5-11(12)17)14(2,25)15(18,19)20/h3-5,25H,6H2,1-2H3,(H2,21,22,24)/t14-/m1/s1
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Ono Pharmaceutical Co., Ltd.

US Patent


Assay Description
Using HEK293 cell overexpressing a human ether-a-go-go-related gene (hERG), the maximum tale current of the hERG IKr current induced by redepolarizat...


US Patent US10676438 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM450373
PNG
(1-{2,6-dichloro-4-[(2R)-1,1,1-trifluoro-2-hydroxy-...)
Show SMILES Cc1cc(CNC(=O)Nc2c(Cl)cc(cc2Cl)[C@@](C)(O)C(F)(F)F)no1
Show InChI InChI=1S/C15H14Cl2F3N3O3/c1-7-3-9(23-26-7)6-21-13(24)22-12-10(16)4-8(5-11(12)17)14(2,25)15(18,19)20/h3-5,25H,6H2,1-2H3,(H2,21,22,24)/t14-/m1/s1
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Ono Pharmaceutical Co., Ltd.

US Patent


Assay Description
Using HEK293 cell overexpressing a human ether-a-go-go-related gene (hERG), the maximum tale current of the hERG IKr current induced by redepolarizat...


US Patent US10676438 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM450373
PNG
(1-{2,6-dichloro-4-[(2R)-1,1,1-trifluoro-2-hydroxy-...)
Show SMILES Cc1cc(CNC(=O)Nc2c(Cl)cc(cc2Cl)[C@@](C)(O)C(F)(F)F)no1
Show InChI InChI=1S/C15H14Cl2F3N3O3/c1-7-3-9(23-26-7)6-21-13(24)22-12-10(16)4-8(5-11(12)17)14(2,25)15(18,19)20/h3-5,25H,6H2,1-2H3,(H2,21,22,24)/t14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

US Patent


Assay Description
Using HEK293 cell overexpressing a human ether-a-go-go-related gene (hERG), the maximum tale current of the hERG IKr current induced by redepolarizat...


US Patent US10676438 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM450375
PNG
(1-{2,6-dichloro-4-[(2S)-1,1,1-trifluoro-2-hydroxy-...)
Show SMILES Cc1cc(CNC(=O)Nc2c(Cl)cc(cc2Cl)[C@](C)(O)C(F)(F)F)no1
Show InChI InChI=1S/C15H14Cl2F3N3O3/c1-7-3-9(23-26-7)6-21-13(24)22-12-10(16)4-8(5-11(12)17)14(2,25)15(18,19)20/h3-5,25H,6H2,1-2H3,(H2,21,22,24)/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

US Patent


Assay Description
Using HEK293 cell overexpressing a human ether-a-go-go-related gene (hERG), the maximum tale current of the hERG IKr current induced by redepolarizat...


US Patent US10676438 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM450374
PNG
(1-{2,6-dichloro-4-[(2R)-1,1,1-trifluoro-2-hydroxy-...)
Show SMILES C[C@@](O)(c1cc(Cl)c(NC(=O)NCc2nc(no2)C(F)(F)F)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C14H10Cl2F6N4O3/c1-12(28,14(20,21)22)5-2-6(15)9(7(16)3-5)25-11(27)23-4-8-24-10(26-29-8)13(17,18)19/h2-3,28H,4H2,1H3,(H2,23,25,27)/t12-/m1/s1
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Ono Pharmaceutical Co., Ltd.

US Patent


Assay Description
Using HEK293 cell overexpressing a human ether-a-go-go-related gene (hERG), the maximum tale current of the hERG IKr current induced by redepolarizat...


US Patent US10676438 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM450375
PNG
(1-{2,6-dichloro-4-[(2S)-1,1,1-trifluoro-2-hydroxy-...)
Show SMILES Cc1cc(CNC(=O)Nc2c(Cl)cc(cc2Cl)[C@](C)(O)C(F)(F)F)no1
Show InChI InChI=1S/C15H14Cl2F3N3O3/c1-7-3-9(23-26-7)6-21-13(24)22-12-10(16)4-8(5-11(12)17)14(2,25)15(18,19)20/h3-5,25H,6H2,1-2H3,(H2,21,22,24)/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

US Patent


Assay Description
Using HEK293 cell overexpressing a human ether-a-go-go-related gene (hERG), the maximum tale current of the hERG IKr current induced by redepolarizat...


US Patent US10676438 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM450376
PNG
(1-{2,6-dichloro-4-[(2S)-1,1,1-trifluoro-2-hydroxy-...)
Show SMILES C[C@](O)(c1cc(Cl)c(NC(=O)NCc2nc(no2)C(F)(F)F)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C14H10Cl2F6N4O3/c1-12(28,14(20,21)22)5-2-6(15)9(7(16)3-5)25-11(27)23-4-8-24-10(26-29-8)13(17,18)19/h2-3,28H,4H2,1H3,(H2,23,25,27)/t12-/m0/s1
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Ono Pharmaceutical Co., Ltd.

US Patent


Assay Description
Using HEK293 cell overexpressing a human ether-a-go-go-related gene (hERG), the maximum tale current of the hERG IKr current induced by redepolarizat...


US Patent US10676438 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM450380
PNG
(1-{2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-hydroxye...)
Show SMILES O[C@@H](c1cc(Cl)c(NC(=O)NCc2cnc(s2)C(F)(F)F)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C14H9Cl2F6N3O2S/c15-7-1-5(10(26)13(17,18)19)2-8(16)9(7)25-12(27)24-4-6-3-23-11(28-6)14(20,21)22/h1-3,10,26H,4H2,(H2,24,25,27)/t10-/m0/s1
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Ono Pharmaceutical Co., Ltd.

US Patent


Assay Description
Using HEK293 cell overexpressing a human ether-a-go-go-related gene (hERG), the maximum tale current of the hERG IKr current induced by redepolarizat...


US Patent US10676438 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM450382
PNG
(1-[4-(1-amino-2,2,2-trifluoroethyl)-2,6-dichloroph...)
Show SMILES NC(c1cc(Cl)c(NC(=O)NCc2ccc(nc2)C(F)(F)F)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C16H12Cl2F6N4O/c17-9-3-8(13(25)16(22,23)24)4-10(18)12(9)28-14(29)27-6-7-1-2-11(26-5-7)15(19,20)21/h1-5,13H,6,25H2,(H2,27,28,29)
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Ono Pharmaceutical Co., Ltd.

US Patent


Assay Description
Using HEK293 cell overexpressing a human ether-a-go-go-related gene (hERG), the maximum tale current of the hERG IKr current induced by redepolarizat...


US Patent US10676438 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM450373
PNG
(1-{2,6-dichloro-4-[(2R)-1,1,1-trifluoro-2-hydroxy-...)
Show SMILES Cc1cc(CNC(=O)Nc2c(Cl)cc(cc2Cl)[C@@](C)(O)C(F)(F)F)no1
Show InChI InChI=1S/C15H14Cl2F3N3O3/c1-7-3-9(23-26-7)6-21-13(24)22-12-10(16)4-8(5-11(12)17)14(2,25)15(18,19)20/h3-5,25H,6H2,1-2H3,(H2,21,22,24)/t14-/m1/s1
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Ono Pharmaceutical Co., Ltd.

US Patent


Assay Description
Using HEK293 cell overexpressing a human ether-a-go-go-related gene (hERG), the maximum tale current of the hERG IKr current induced by redepolarizat...


US Patent US10676438 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM450375
PNG
(1-{2,6-dichloro-4-[(2S)-1,1,1-trifluoro-2-hydroxy-...)
Show SMILES Cc1cc(CNC(=O)Nc2c(Cl)cc(cc2Cl)[C@](C)(O)C(F)(F)F)no1
Show InChI InChI=1S/C15H14Cl2F3N3O3/c1-7-3-9(23-26-7)6-21-13(24)22-12-10(16)4-8(5-11(12)17)14(2,25)15(18,19)20/h3-5,25H,6H2,1-2H3,(H2,21,22,24)/t14-/m0/s1
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Ono Pharmaceutical Co., Ltd.

US Patent


Assay Description
Using HEK293 cell overexpressing a human ether-a-go-go-related gene (hERG), the maximum tale current of the hERG IKr current induced by redepolarizat...


US Patent US10676438 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM450379
PNG
(1-{2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-hydroxye...)
Show SMILES O[C@@H](c1cc(Cl)c(NC(=O)NCc2ccc(cn2)C(F)(F)F)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C16H11Cl2F6N3O2/c17-10-3-7(13(28)16(22,23)24)4-11(18)12(10)27-14(29)26-6-9-2-1-8(5-25-9)15(19,20)21/h1-5,13,28H,6H2,(H2,26,27,29)/t13-/m0/s1
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Ono Pharmaceutical Co., Ltd.

US Patent


Assay Description
Using HEK293 cell overexpressing a human ether-a-go-go-related gene (hERG), the maximum tale current of the hERG IKr current induced by redepolarizat...


US Patent US10676438 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM450381
PNG
(2-cyclohexyl-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-...)
Show SMILES CC(O)(c1cc(Cl)c(NC(=O)CC2CCCCC2)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C17H20Cl2F3NO2/c1-16(25,17(20,21)22)11-8-12(18)15(13(19)9-11)23-14(24)7-10-5-3-2-4-6-10/h8-10,25H,2-7H2,1H3,(H,23,24)
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Ono Pharmaceutical Co., Ltd.

US Patent


Assay Description
Using HEK293 cell overexpressing a human ether-a-go-go-related gene (hERG), the maximum tale current of the hERG IKr current induced by redepolarizat...


US Patent US10676438 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM450377
PNG
(1-{2,6-dichloro-4-[(1R)-2,2,2-trifluoro-1-hydroxye...)
Show SMILES O[C@H](c1cc(Cl)c(NC(=O)NCc2ccc(cn2)C(F)(F)F)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C16H11Cl2F6N3O2/c17-10-3-7(13(28)16(22,23)24)4-11(18)12(10)27-14(29)26-6-9-2-1-8(5-25-9)15(19,20)21/h1-5,13,28H,6H2,(H2,26,27,29)/t13-/m1/s1
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Ono Pharmaceutical Co., Ltd.

US Patent


Assay Description
Using HEK293 cell overexpressing a human ether-a-go-go-related gene (hERG), the maximum tale current of the hERG IKr current induced by redepolarizat...


US Patent US10676438 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM450378
PNG
(1-{2,6-dichloro-4-[(1R)-2,2,2-trifluoro-1-hydroxye...)
Show SMILES O[C@H](c1cc(Cl)c(NC(=O)NCc2cnc(s2)C(F)(F)F)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C14H9Cl2F6N3O2S/c15-7-1-5(10(26)13(17,18)19)2-8(16)9(7)25-12(27)24-4-6-3-23-11(28-6)14(20,21)22/h1-3,10,26H,4H2,(H2,24,25,27)/t10-/m1/s1
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Ono Pharmaceutical Co., Ltd.

US Patent


Assay Description
Using HEK293 cell overexpressing a human ether-a-go-go-related gene (hERG), the maximum tale current of the hERG IKr current induced by redepolarizat...


US Patent US10676438 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM450377
PNG
(1-{2,6-dichloro-4-[(1R)-2,2,2-trifluoro-1-hydroxye...)
Show SMILES O[C@H](c1cc(Cl)c(NC(=O)NCc2ccc(cn2)C(F)(F)F)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C16H11Cl2F6N3O2/c17-10-3-7(13(28)16(22,23)24)4-11(18)12(10)27-14(29)26-6-9-2-1-8(5-25-9)15(19,20)21/h1-5,13,28H,6H2,(H2,26,27,29)/t13-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

US Patent


Assay Description
Using HEK293 cell overexpressing a human ether-a-go-go-related gene (hERG), the maximum tale current of the hERG IKr current induced by redepolarizat...


US Patent US10676438 (2020)

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