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Patent code US9708266

Compile Data Set for Download or QSAR
Found 40 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
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261482
PNG
(US9708266, 5)
Show SMILES CN(C(=O)C(C)(CO)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C33H33F7N2O4/c1-18-10-24(34)8-9-25(18)26-15-27(20-6-4-19(5-7-20)11-29(44)45)41-16-28(26)42(3)30(46)31(2,17-43)21-12-22(32(35,36)37)14-23(13-21)33(38,39)40/h8-10,12-16,19-20,43H,4-7,11,17H2,1-3H3,(H,44,45)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261483
PNG
(US9708266, 6)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(O)(CC(O)=O)CC1
Show InChI InChI=1S/C33H33F7N2O4/c1-18-11-23(34)5-6-24(18)25-15-26(19-7-9-31(46,10-8-19)16-28(43)44)41-17-27(25)42(4)29(45)30(2,3)20-12-21(32(35,36)37)14-22(13-20)33(38,39)40/h5-6,11-15,17,19,46H,7-10,16H2,1-4H3,(H,43,44)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261478
PNG
(US9708266, 1)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(CC1)C(O)=O
Show InChI InChI=1S/C32H31F7N2O3/c1-17-11-23(33)9-10-24(17)25-15-26(18-5-7-19(8-6-18)28(42)43)40-16-27(25)41(4)29(44)30(2,3)20-12-21(31(34,35)36)14-22(13-20)32(37,38)39/h9-16,18-19H,5-8H2,1-4H3,(H,42,43)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261490
PNG
(US9708266, 13)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C33H33F7N2O3/c1-18-11-24(34)9-10-25(18)26-16-27(20-7-5-19(6-8-20)12-29(43)44)41-17-28(26)42(4)30(45)31(2,3)21-13-22(32(35,36)37)15-23(14-21)33(38,39)40/h9-11,13-17,19-20H,5-8,12H2,1-4H3,(H,43,44)/t19-,20-
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261484
PNG
(US9708266, 7)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC2(CC2C(O)=O)CC1
Show InChI InChI=1S/C34H33F7N2O3/c1-18-11-23(35)5-6-24(18)25-15-27(19-7-9-32(10-8-19)16-26(32)29(44)45)42-17-28(25)43(4)30(46)31(2,3)20-12-21(33(36,37)38)14-22(13-20)34(39,40)41/h5-6,11-15,17,19,26H,7-10,16H2,1-4H3,(H,44,45)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261479
PNG
(US9708266, 2)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(CCC(O)=O)CC1
Show InChI InChI=1S/C34H35F7N2O3/c1-19-13-25(35)10-11-26(19)27-17-28(21-8-5-20(6-9-21)7-12-30(44)45)42-18-29(27)43(4)31(46)32(2,3)22-14-23(33(36,37)38)16-24(15-22)34(39,40)41/h10-11,13-18,20-21H,5-9,12H2,1-4H3,(H,44,45)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261480
PNG
(US9708266, 3)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCCC(CC(O)=O)C1
Show InChI InChI=1S/C33H33F7N2O3/c1-18-10-24(34)8-9-25(18)26-16-27(20-7-5-6-19(11-20)12-29(43)44)41-17-28(26)42(4)30(45)31(2,3)21-13-22(32(35,36)37)15-23(14-21)33(38,39)40/h8-10,13-17,19-20H,5-7,11-12H2,1-4H3,(H,43,44)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261491
PNG
(US9708266, 14)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)[C@@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C33H33F7N2O3/c1-18-11-24(34)9-10-25(18)26-16-27(20-7-5-19(6-8-20)12-29(43)44)41-17-28(26)42(4)30(45)31(2,3)21-13-22(32(35,36)37)15-23(14-21)33(38,39)40/h9-11,13-17,19-20H,5-8,12H2,1-4H3,(H,43,44)/t19-,20+
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261481
PNG
(US9708266, 4)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1(C)CCCC(CC(O)=O)C1
Show InChI InChI=1S/C34H35F7N2O3/c1-19-11-24(35)8-9-25(19)26-16-28(32(4)10-6-7-20(17-32)12-29(44)45)42-18-27(26)43(5)30(46)31(2,3)21-13-22(33(36,37)38)15-23(14-21)34(39,40)41/h8-9,11,13-16,18,20H,6-7,10,12,17H2,1-5H3,(H,44,45)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261486
PNG
(US9708266, 9)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)C1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C33H34F6N2O3/c1-19-7-5-6-8-25(19)26-17-27(21-11-9-20(10-12-21)13-29(42)43)40-18-28(26)41(4)30(44)31(2,3)22-14-23(32(34,35)36)16-24(15-22)33(37,38)39/h5-8,14-18,20-21H,9-13H2,1-4H3,(H,42,43)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261497
PNG
(US9708266, 21)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccc(F)cc1C)[C@@H]1CC[C@H](CC(O)=O)CC1)C#N
Show InChI InChI=1S/C34H32F7N3O3/c1-18-11-24(35)9-10-25(18)26-16-27(20-7-5-19(6-8-20)12-29(45)46)43-28(17-42)30(26)44(4)31(47)32(2,3)21-13-22(33(36,37)38)15-23(14-21)34(39,40)41/h9-11,13-16,19-20H,5-8,12H2,1-4H3,(H,45,46)/t19-,20+
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261492
PNG
(US9708266, 16)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccccc1C)C1CCC(CC(O)=O)CC1)C#N
Show InChI InChI=1S/C34H33F6N3O3/c1-19-7-5-6-8-25(19)26-17-27(21-11-9-20(10-12-21)13-29(44)45)42-28(18-41)30(26)43(4)31(46)32(2,3)22-14-23(33(35,36)37)16-24(15-22)34(38,39)40/h5-8,14-17,20-21H,9-13H2,1-4H3,(H,44,45)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261487
PNG
(US9708266, 10)
Show SMILES CC(C1CCC(CC1)c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(F)cc1C)C(O)=O
Show InChI InChI=1S/C34H35F7N2O3/c1-18-12-25(35)10-11-26(18)27-16-28(21-8-6-20(7-9-21)19(2)30(44)45)42-17-29(27)43(5)31(46)32(3,4)22-13-23(33(36,37)38)15-24(14-22)34(39,40)41/h10-17,19-21H,6-9H2,1-5H3,(H,44,45)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261496
PNG
(US9708266, 20)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccc(F)cc1C)[C@H]1CC[C@H](CC(O)=O)CC1)C#N
Show InChI InChI=1S/C34H32F7N3O3/c1-18-11-24(35)9-10-25(18)26-16-27(20-7-5-19(6-8-20)12-29(45)46)43-28(17-42)30(26)44(4)31(47)32(2,3)21-13-22(33(36,37)38)15-23(14-21)34(39,40)41/h9-11,13-16,19-20H,5-8,12H2,1-4H3,(H,45,46)/t19-,20-
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261485
PNG
(US9708266, 8)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccc(F)cc1C)C1CCC(CC(O)=O)CC1)C#N
Show InChI InChI=1S/C34H32F7N3O3/c1-18-11-24(35)9-10-25(18)26-16-27(20-7-5-19(6-8-20)12-29(45)46)43-28(17-42)30(26)44(4)31(47)32(2,3)21-13-22(33(36,37)38)15-23(14-21)34(39,40)41/h9-11,13-16,19-20H,5-8,12H2,1-4H3,(H,45,46)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261489
PNG
(US9708266, 12)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)[C@H]1CC[C@H](CC1)C(C)(C)C(O)=O
Show InChI InChI=1S/C35H37F7N2O3/c1-19-13-25(36)11-12-26(19)27-17-28(20-7-9-21(10-8-20)33(4,5)31(46)47)43-18-29(27)44(6)30(45)32(2,3)22-14-23(34(37,38)39)16-24(15-22)35(40,41)42/h11-18,20-21H,7-10H2,1-6H3,(H,46,47)/t20-,21+
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261495
PNG
(US9708266, 19)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(CO)nc(cc1-c1ccc(F)cc1C)C1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C34H35F7N2O4/c1-18-11-24(35)9-10-25(18)26-16-27(20-7-5-19(6-8-20)12-29(45)46)42-28(17-44)30(26)43(4)31(47)32(2,3)21-13-22(33(36,37)38)15-23(14-21)34(39,40)41/h9-11,13-16,19-20,44H,5-8,12,17H2,1-4H3,(H,45,46)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261493
PNG
(US9708266, 17)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(Cl)nc(cc1-c1ccc(F)cc1C)C1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C33H32ClF7N2O3/c1-17-11-23(35)9-10-24(17)25-16-26(19-7-5-18(6-8-19)12-27(44)45)42-29(34)28(25)43(4)30(46)31(2,3)20-13-21(32(36,37)38)15-22(14-20)33(39,40)41/h9-11,13-16,18-19H,5-8,12H2,1-4H3,(H,44,45)
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n/an/a 5.51n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261494
PNG
(US9708266, 18)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(C)nc(cc1-c1ccc(F)cc1C)C1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C34H35F7N2O3/c1-18-12-25(35)10-11-26(18)27-17-28(21-8-6-20(7-9-21)13-29(44)45)42-19(2)30(27)43(5)31(46)32(3,4)22-14-23(33(36,37)38)16-24(15-22)34(39,40)41/h10-12,14-17,20-21H,6-9,13H2,1-5H3,(H,44,45)
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n/an/a 6.45n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM261488
PNG
(US9708266, 11)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)[C@H]1CC[C@@H](CC1)C(C)(C)C(O)=O
Show InChI InChI=1S/C35H37F7N2O3/c1-19-13-25(36)11-12-26(19)27-17-28(20-7-9-21(10-8-20)33(4,5)31(46)47)43-18-29(27)44(6)30(45)32(2,3)22-14-23(34(37,38)39)16-24(15-22)35(40,41)42/h11-18,20-21H,7-10H2,1-6H3,(H,46,47)/t20-,21-
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n/an/a 6.75n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM50220136
PNG
(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)
Show SMILES C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1
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US Patent
n/an/a 20n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261489
PNG
(US9708266, 12)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)[C@H]1CC[C@H](CC1)C(C)(C)C(O)=O
Show InChI InChI=1S/C35H37F7N2O3/c1-19-13-25(36)11-12-26(19)27-17-28(20-7-9-21(10-8-20)33(4,5)31(46)47)43-18-29(27)44(6)30(45)32(2,3)22-14-23(34(37,38)39)16-24(15-22)35(40,41)42/h11-18,20-21H,7-10H2,1-6H3,(H,46,47)/t20-,21+
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n/an/a 2.20E+3n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261488
PNG
(US9708266, 11)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)[C@H]1CC[C@@H](CC1)C(C)(C)C(O)=O
Show InChI InChI=1S/C35H37F7N2O3/c1-19-13-25(36)11-12-26(19)27-17-28(20-7-9-21(10-8-20)33(4,5)31(46)47)43-18-29(27)44(6)30(45)32(2,3)22-14-23(34(37,38)39)16-24(15-22)35(40,41)42/h11-18,20-21H,7-10H2,1-6H3,(H,46,47)/t20-,21-
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n/an/a 2.70E+3n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261492
PNG
(US9708266, 16)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccccc1C)C1CCC(CC(O)=O)CC1)C#N
Show InChI InChI=1S/C34H33F6N3O3/c1-19-7-5-6-8-25(19)26-17-27(21-11-9-20(10-12-21)13-29(44)45)42-28(18-41)30(26)43(4)31(46)32(2,3)22-14-23(33(35,36)37)16-24(15-22)34(38,39)40/h5-8,14-17,20-21H,9-13H2,1-4H3,(H,44,45)
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n/an/a 3.10E+3n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261493
PNG
(US9708266, 17)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(Cl)nc(cc1-c1ccc(F)cc1C)C1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C33H32ClF7N2O3/c1-17-11-23(35)9-10-24(17)25-16-26(19-7-5-18(6-8-19)12-27(44)45)42-29(34)28(25)43(4)30(46)31(2,3)20-13-21(32(36,37)38)15-22(14-20)33(39,40)41/h9-11,13-16,18-19H,5-8,12H2,1-4H3,(H,44,45)
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n/an/a 3.30E+3n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261497
PNG
(US9708266, 21)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccc(F)cc1C)[C@@H]1CC[C@H](CC(O)=O)CC1)C#N
Show InChI InChI=1S/C34H32F7N3O3/c1-18-11-24(35)9-10-25(18)26-16-27(20-7-5-19(6-8-20)12-29(45)46)43-28(17-42)30(26)44(4)31(47)32(2,3)21-13-22(33(36,37)38)15-23(14-21)34(39,40)41/h9-11,13-16,19-20H,5-8,12H2,1-4H3,(H,45,46)/t19-,20+
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n/an/a 4.20E+3n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261494
PNG
(US9708266, 18)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(C)nc(cc1-c1ccc(F)cc1C)C1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C34H35F7N2O3/c1-18-12-25(35)10-11-26(18)27-17-28(21-8-6-20(7-9-21)13-29(44)45)42-19(2)30(27)43(5)31(46)32(3,4)22-14-23(33(36,37)38)16-24(15-22)34(39,40)41/h10-12,14-17,20-21H,6-9,13H2,1-5H3,(H,44,45)
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n/an/a 4.90E+3n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261496
PNG
(US9708266, 20)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccc(F)cc1C)[C@H]1CC[C@H](CC(O)=O)CC1)C#N
Show InChI InChI=1S/C34H32F7N3O3/c1-18-11-24(35)9-10-25(18)26-16-27(20-7-5-19(6-8-20)12-29(45)46)43-28(17-42)30(26)44(4)31(47)32(2,3)21-13-22(33(36,37)38)15-23(14-21)34(39,40)41/h9-11,13-16,19-20H,5-8,12H2,1-4H3,(H,45,46)/t19-,20-
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n/an/a 5.50E+3n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261485
PNG
(US9708266, 8)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccc(F)cc1C)C1CCC(CC(O)=O)CC1)C#N
Show InChI InChI=1S/C34H32F7N3O3/c1-18-11-24(35)9-10-25(18)26-16-27(20-7-5-19(6-8-20)12-29(45)46)43-28(17-42)30(26)44(4)31(47)32(2,3)21-13-22(33(36,37)38)15-23(14-21)34(39,40)41/h9-11,13-16,19-20H,5-8,12H2,1-4H3,(H,45,46)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261483
PNG
(US9708266, 6)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(O)(CC(O)=O)CC1
Show InChI InChI=1S/C33H33F7N2O4/c1-18-11-23(34)5-6-24(18)25-15-26(19-7-9-31(46,10-8-19)16-28(43)44)41-17-27(25)42(4)29(45)30(2,3)20-12-21(32(35,36)37)14-22(13-20)33(38,39)40/h5-6,11-15,17,19,46H,7-10,16H2,1-4H3,(H,43,44)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261479
PNG
(US9708266, 2)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(CCC(O)=O)CC1
Show InChI InChI=1S/C34H35F7N2O3/c1-19-13-25(35)10-11-26(19)27-17-28(21-8-5-20(6-9-21)7-12-30(44)45)42-18-29(27)43(4)31(46)32(2,3)22-14-23(33(36,37)38)16-24(15-22)34(39,40)41/h10-11,13-18,20-21H,5-9,12H2,1-4H3,(H,44,45)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261486
PNG
(US9708266, 9)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)C1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C33H34F6N2O3/c1-19-7-5-6-8-25(19)26-17-27(21-11-9-20(10-12-21)13-29(42)43)40-18-28(26)41(4)30(44)31(2,3)22-14-23(32(34,35)36)16-24(15-22)33(37,38)39/h5-8,14-18,20-21H,9-13H2,1-4H3,(H,42,43)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261481
PNG
(US9708266, 4)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1(C)CCCC(CC(O)=O)C1
Show InChI InChI=1S/C34H35F7N2O3/c1-19-11-24(35)8-9-25(19)26-16-28(32(4)10-6-7-20(17-32)12-29(44)45)42-18-27(26)43(5)30(46)31(2,3)21-13-22(33(36,37)38)15-23(14-21)34(39,40)41/h8-9,11,13-16,18,20H,6-7,10,12,17H2,1-5H3,(H,44,45)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261491
PNG
(US9708266, 14)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)[C@@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C33H33F7N2O3/c1-18-11-24(34)9-10-25(18)26-16-27(20-7-5-19(6-8-20)12-29(43)44)41-17-28(26)42(4)30(45)31(2,3)21-13-22(32(35,36)37)15-23(14-21)33(38,39)40/h9-11,13-17,19-20H,5-8,12H2,1-4H3,(H,43,44)/t19-,20+
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261490
PNG
(US9708266, 13)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C33H33F7N2O3/c1-18-11-24(34)9-10-25(18)26-16-27(20-7-5-19(6-8-20)12-29(43)44)41-17-28(26)42(4)30(45)31(2,3)21-13-22(32(35,36)37)15-23(14-21)33(38,39)40/h9-11,13-17,19-20H,5-8,12H2,1-4H3,(H,43,44)/t19-,20-
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261480
PNG
(US9708266, 3)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCCC(CC(O)=O)C1
Show InChI InChI=1S/C33H33F7N2O3/c1-18-10-24(34)8-9-25(18)26-16-27(20-7-5-6-19(11-20)12-29(43)44)41-17-28(26)42(4)30(45)31(2,3)21-13-22(32(35,36)37)15-23(14-21)33(38,39)40/h8-10,13-17,19-20H,5-7,11-12H2,1-4H3,(H,43,44)
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US Patent
n/an/a 9.40E+3n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261484
PNG
(US9708266, 7)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC2(CC2C(O)=O)CC1
Show InChI InChI=1S/C34H33F7N2O3/c1-18-11-23(35)5-6-24(18)25-15-27(19-7-9-32(10-8-19)16-26(32)29(44)45)42-17-28(25)43(4)30(46)31(2,3)20-12-21(33(36,37)38)14-22(13-20)34(39,40)41/h5-6,11-15,17,19,26H,7-10,16H2,1-4H3,(H,44,45)
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US Patent
n/an/a 1.10E+4n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261487
PNG
(US9708266, 10)
Show SMILES CC(C1CCC(CC1)c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(F)cc1C)C(O)=O
Show InChI InChI=1S/C34H35F7N2O3/c1-18-12-25(35)10-11-26(18)27-16-28(21-8-6-20(7-9-21)19(2)30(44)45)42-17-29(27)43(5)31(46)32(3,4)22-13-23(33(36,37)38)15-24(14-22)34(39,40)41/h10-17,19-21H,6-9H2,1-5H3,(H,44,45)
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US Patent
n/an/a 1.10E+4n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261478
PNG
(US9708266, 1)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(CC1)C(O)=O
Show InChI InChI=1S/C32H31F7N2O3/c1-17-11-23(33)9-10-24(17)25-15-26(18-5-7-19(8-6-18)28(42)43)40-16-27(25)41(4)29(44)30(2,3)20-12-21(31(34,35)36)14-22(13-20)32(37,38)39/h9-16,18-19H,5-8H2,1-4H3,(H,42,43)
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n/an/a 1.30E+4n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


Citation and Details
More data for this
Ligand-Target Pair
CYP3A4


(Homo sapiens (human))
BDBM261482
PNG
(US9708266, 5)
Show SMILES CN(C(=O)C(C)(CO)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C33H33F7N2O4/c1-18-10-24(34)8-9-25(18)26-15-27(20-6-4-19(5-7-20)11-29(44)45)41-16-28(26)42(3)30(46)31(2,17-43)21-12-22(32(35,36)37)14-23(13-21)33(38,39)40/h8-10,12-16,19-20,43H,4-7,11,17H2,1-3H3,(H,44,45)
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US Patent
n/an/a 1.30E+4n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...


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