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Patent code US10202388

Compile Data Set for Download or QSAR
Found 53 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
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347006
PNG
(US10202388, Compound 9)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C12CC3CC(CC(O)(C3)C1)C2
Show InChI InChI=1S/C22H26N2O2/c25-20(21-7-14-5-15(8-21)10-22(26,9-14)12-21)6-18-16-3-1-2-4-17(16)19-11-23-13-24(18)19/h1-4,11,13-15,18,20,25-26H,5-10,12H2
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n/an/a<100n/an/an/an/an/an/a



SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347034
PNG
(US10202388, Compound 45A-1)
Show SMILES O[C@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](NS(=O)(=O)Cc1ccccc1)C(C3)C2
Show InChI InChI=1S/C29H32FN3O3S/c30-23-8-4-7-22-25-15-31-17-33(25)24(27(22)23)11-26(34)29-12-19-9-20(13-29)28(21(10-19)14-29)32-37(35,36)16-18-5-2-1-3-6-18/h1-8,15,17,19-21,24,26,28,32,34H,9-14,16H2/t19?,20?,21?,24?,26-,28-,29?/m1/s1
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n/an/a<100n/an/an/an/an/an/a



SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347041
PNG
(US10202388, Compound 55)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)C(NC(=O)Nc1ccccc1)C(C3)C2
Show InChI InChI=1S/C29H31FN4O2/c30-22-8-4-7-21-24-15-31-16-34(24)23(26(21)22)11-25(35)29-12-17-9-18(13-29)27(19(10-17)14-29)33-28(36)32-20-5-2-1-3-6-20/h1-8,15-19,23,25,27,35H,9-14H2,(H2,32,33,36)
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n/an/a<100n/an/an/an/an/an/a



SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347020
PNG
(US10202388, Compound 23A | US10202388, Compound 26...)
Show SMILES O[C@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)C(O)C(C3)C2
Show InChI InChI=1S/C22H25FN2O2/c23-16-3-1-2-15-18-10-24-11-25(18)17(20(15)16)6-19(26)22-7-12-4-13(8-22)21(27)14(5-12)9-22/h1-3,10-14,17,19,21,26-27H,4-9H2/t12?,13?,14?,17?,19-,21?,22?/m1/s1
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347016
PNG
(US10202388, Compound 14A-4)
Show SMILES C[C@@]1(O)C2CC3CC1CC(C3)(C2)[C@H](O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1S/C23H28N2O2/c1-22(27)15-6-14-7-16(22)11-23(9-14,10-15)21(26)8-19-17-4-2-3-5-18(17)20-12-24-13-25(19)20/h2-5,12-16,19,21,26-27H,6-11H2,1H3/t14?,15?,16?,19?,21-,22-,23?/m1/s1
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM346999
PNG
(US10202388, Compound 1-3)
Show SMILES O=C(C[C@@H]1c2ccccc2-c2cncn12)[C@@]12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H24N2O/c25-21(22-9-14-5-15(10-22)7-16(6-14)11-22)8-19-17-3-1-2-4-18(17)20-12-23-13-24(19)20/h1-4,12-16,19H,5-11H2/t14?,15?,16?,19-,22-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM346996
PNG
(US10202388, Compound 1)
Show SMILES O=C(CC1c2ccccc2-c2cncn12)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H24N2O/c25-21(22-9-14-5-15(10-22)7-16(6-14)11-22)8-19-17-3-1-2-4-18(17)20-12-23-13-24(19)20/h1-4,12-16,19H,5-11H2
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347015
PNG
(US10202388, Compound 13)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H26N2O/c25-21(22-9-14-5-15(10-22)7-16(6-14)11-22)8-19-17-3-1-2-4-18(17)20-12-23-13-24(19)20/h1-4,12-16,19,21,25H,5-11H2
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347044
PNG
(US10202388, Compound 62A)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)C(C(C3)C2)c1ccccc1
Show InChI InChI=1S/C28H30N2O/c31-26(12-24-22-8-4-5-9-23(22)25-16-29-17-30(24)25)28-13-18-10-20(14-28)27(21(11-18)15-28)19-6-2-1-3-7-19/h1-9,16-18,20-21,24,26-27,31H,10-15H2
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM346998
PNG
(US10202388, Compound 1-2)
Show SMILES O=C(C[C@H]1c2ccccc2-c2cncn12)[C@@]12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H24N2O/c25-21(22-9-14-5-15(10-22)7-16(6-14)11-22)8-19-17-3-1-2-4-18(17)20-12-23-13-24(19)20/h1-4,12-16,19H,5-11H2/t14?,15?,16?,19-,22-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347014
PNG
(US10202388, Compound 14A)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)C(O)C(C3)C2
Show InChI InChI=1S/C22H26N2O2/c25-20(22-8-13-5-14(9-22)21(26)15(6-13)10-22)7-18-16-3-1-2-4-17(16)19-11-23-12-24(18)19/h1-4,11-15,18,20-21,25-26H,5-10H2
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347013
PNG
(US10202388, Compound 11A-2)
Show SMILES C[C@@]1(O)C2CC3CC1CC(C3)(C2)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1S/C23H28N2O2/c1-22(27)15-6-14-7-16(22)11-23(9-14,10-15)21(26)8-19-17-4-2-3-5-18(17)20-12-24-13-25(19)20/h2-5,12-16,19,21,26-27H,6-11H2,1H3/t14?,15?,16?,19?,21?,22-,23?
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347019
PNG
(US10202388, Compound 22)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C12CC3CC(CC(O)(C3)C1)C2
Show InChI InChI=1S/C22H25FN2O2/c23-16-3-1-2-15-18-10-24-12-25(18)17(20(15)16)5-19(26)21-6-13-4-14(7-21)9-22(27,8-13)11-21/h1-3,10,12-14,17,19,26-27H,4-9,11H2
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347018
PNG
(US10202388, Compound 21 | US10202388, Compound 25)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H25FN2O/c23-17-3-1-2-16-19-11-24-12-25(19)18(21(16)17)7-20(26)22-8-13-4-14(9-22)6-15(5-13)10-22/h1-3,11-15,18,20,26H,4-10H2
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347008
PNG
(US10202388, Compound 10A-2)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2
Show InChI InChI=1S/C22H26N2O2/c25-20(22-8-13-5-14(9-22)21(26)15(6-13)10-22)7-18-16-3-1-2-4-17(16)19-11-23-12-24(18)19/h1-4,11-15,18,20-21,25-26H,5-10H2/t13?,14?,15?,18?,20?,21-,22?
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347022
PNG
(US10202388, Compound 23A-2 | US10202388, Compound ...)
Show SMILES O[C@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2
Show InChI InChI=1S/C22H25FN2O2/c23-16-3-1-2-15-18-10-24-11-25(18)17(20(15)16)6-19(26)22-7-12-4-13(8-22)21(27)14(5-12)9-22/h1-3,10-14,17,19,21,26-27H,4-9H2/t12?,13?,14?,17?,19-,21-,22?/m1/s1
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347007
PNG
(US10202388, Compound 10A)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)C(O)C(C3)C2
Show InChI InChI=1S/C22H26N2O2/c25-20(22-8-13-5-14(9-22)21(26)15(6-13)10-22)7-18-16-3-1-2-4-17(16)19-11-23-12-24(18)19/h1-4,11-15,18,20-21,25-26H,5-10H2
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347012
PNG
(US10202388, Compound 11A)
Show SMILES CC1(O)C2CC3CC1CC(C3)(C2)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1S/C23H28N2O2/c1-22(27)15-6-14-7-16(22)11-23(9-14,10-15)21(26)8-19-17-4-2-3-5-18(17)20-12-24-13-25(19)20/h2-5,12-16,19,21,26-27H,6-11H2,1H3
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347021
PNG
(US10202388, Compound 23A-1)
Show SMILES O[C@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2
Show InChI InChI=1S/C22H25FN2O2/c23-16-3-1-2-15-18-10-24-11-25(18)17(20(15)16)6-19(26)22-7-12-4-13(8-22)21(27)14(5-12)9-22/h1-3,10-14,17,19,21,26-27H,4-9H2/t12?,13?,14?,17?,19-,21-,22?/m1/s1
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n/an/a<100n/an/an/an/an/an/a



SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347023
PNG
(US10202388, Compound 23A-3)
Show SMILES O[C@@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2
Show InChI InChI=1S/C22H25FN2O2/c23-16-3-1-2-15-18-10-24-11-25(18)17(20(15)16)6-19(26)22-7-12-4-13(8-22)21(27)14(5-12)9-22/h1-3,10-14,17,19,21,26-27H,4-9H2/t12?,13?,14?,17?,19-,21-,22?/m0/s1
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347018
PNG
(US10202388, Compound 21 | US10202388, Compound 25)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H25FN2O/c23-17-3-1-2-16-19-11-24-12-25(19)18(21(16)17)7-20(26)22-8-13-4-14(9-22)6-15(5-13)10-22/h1-3,11-15,18,20,26H,4-10H2
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347036
PNG
(US10202388, Compound 46)
Show SMILES CS(=O)(=O)NC1C2CC3CC1CC(C3)(C2)C(O)CC1c2c(cccc2F)-c2cncn12
Show InChI InChI=1S/C23H28FN3O3S/c1-31(29,30)26-22-14-5-13-6-15(22)10-23(8-13,9-14)20(28)7-18-21-16(3-2-4-17(21)24)19-11-25-12-27(18)19/h2-4,11-15,18,20,22,26,28H,5-10H2,1H3
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347033
PNG
(US10202388, Compound 45A)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)C(NS(=O)(=O)Cc1ccccc1)C(C3)C2
Show InChI InChI=1S/C29H32FN3O3S/c30-23-8-4-7-22-25-15-31-17-33(25)24(27(22)23)11-26(34)29-12-19-9-20(13-29)28(21(10-19)14-29)32-37(35,36)16-18-5-2-1-3-6-18/h1-8,15,17,19-21,24,26,28,32,34H,9-14,16H2
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347037
PNG
(US10202388, Compound 49)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)C(NC(=O)CC1CCCCC1)C(C3)C2
Show InChI InChI=1S/C30H38FN3O2/c31-23-8-4-7-22-25-16-32-17-34(25)24(28(22)23)12-26(35)30-13-19-9-20(14-30)29(21(10-19)15-30)33-27(36)11-18-5-2-1-3-6-18/h4,7-8,16-21,24,26,29,35H,1-3,5-6,9-15H2,(H,33,36)
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347040
PNG
(US10202388, Compound 53A)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)C(NC(=O)Cc1ccccc1)C(C3)C2
Show InChI InChI=1S/C30H33N3O2/c34-27(13-25-23-8-4-5-9-24(23)26-17-31-18-33(25)26)30-14-20-10-21(15-30)29(22(11-20)16-30)32-28(35)12-19-6-2-1-3-7-19/h1-9,17-18,20-22,25,27,29,34H,10-16H2,(H,32,35)
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347043
PNG
(US10202388, Compound 61A)
Show SMILES OCCO[C@H]1C2CC3CC1CC(C3)(C2)C(O)CC1c2c(cccc2F)-c2cncn12
Show InChI InChI=1S/C24H29FN2O3/c25-18-3-1-2-17-20-12-26-13-27(20)19(22(17)18)8-21(29)24-9-14-6-15(10-24)23(30-5-4-28)16(7-14)11-24/h1-3,12-16,19,21,23,28-29H,4-11H2/t14?,15?,16?,19?,21?,23-,24?
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347020
PNG
(US10202388, Compound 23A | US10202388, Compound 26...)
Show SMILES O[C@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)C(O)C(C3)C2
Show InChI InChI=1S/C22H25FN2O2/c23-16-3-1-2-15-18-10-24-11-25(18)17(20(15)16)6-19(26)22-7-12-4-13(8-22)21(27)14(5-12)9-22/h1-3,10-14,17,19,21,26-27H,4-9H2/t12?,13?,14?,17?,19-,21?,22?/m1/s1
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347038
PNG
(US10202388, Compound 52A)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)C(NC(=O)c1ccccc1)C(C3)C2
Show InChI InChI=1S/C29H31N3O2/c33-26(12-24-22-8-4-5-9-23(22)25-16-30-17-32(24)25)29-13-18-10-20(14-29)27(21(11-18)15-29)31-28(34)19-6-2-1-3-7-19/h1-9,16-18,20-21,24,26-27,33H,10-15H2,(H,31,34)
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347042
PNG
(US10202388, Compound 58)
Show SMILES CC(C)(O)CCOC1C2CC3CC1CC(C3)(C2)C(O)CC1c2c(cccc2F)-c2cncn12
Show InChI InChI=1S/C27H35FN2O3/c1-26(2,32)6-7-33-25-17-8-16-9-18(25)13-27(11-16,12-17)23(31)10-21-24-19(4-3-5-20(24)28)22-14-29-15-30(21)22/h3-5,14-18,21,23,25,31-32H,6-13H2,1-2H3
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347013
PNG
(US10202388, Compound 11A-2)
Show SMILES C[C@@]1(O)C2CC3CC1CC(C3)(C2)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1S/C23H28N2O2/c1-22(27)15-6-14-7-16(22)11-23(9-14,10-15)21(26)8-19-17-4-2-3-5-18(17)20-12-24-13-25(19)20/h2-5,12-16,19,21,26-27H,6-11H2,1H3/t14?,15?,16?,19?,21?,22-,23?
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The TDO2 enzymatic assay was performed by UV absorption using a recombinant TDO2 and L-Tryptophan substrate. The UV absorption signal at 321 nm is co...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347024
PNG
(US10202388, Compound 23A-4 | US10202388, Compound ...)
Show SMILES O[C@@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2
Show InChI InChI=1S/C22H25FN2O2/c23-16-3-1-2-15-18-10-24-11-25(18)17(20(15)16)6-19(26)22-7-12-4-13(8-22)21(27)14(5-12)9-22/h1-3,10-14,17,19,21,26-27H,4-9H2/t12?,13?,14?,17?,19-,21-,22?/m0/s1
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347025
PNG
(US10202388, Compound 23B | US10202388, Compound 26...)
Show SMILES O[C@@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)C(O)C(C3)C2
Show InChI InChI=1S/C22H25FN2O2/c23-16-3-1-2-15-18-10-24-11-25(18)17(20(15)16)6-19(26)22-7-12-4-13(8-22)21(27)14(5-12)9-22/h1-3,10-14,17,19,21,26-27H,4-9H2/t12?,13?,14?,17?,19-,21?,22?/m0/s1
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347011
PNG
(US10202388, Compound 10B)
Show SMILES O[C@@H](CC1c2ccccc2-c2cncn12)C12CC3CC(C1)C(O)C(C3)C2
Show InChI InChI=1S/C22H26N2O2/c25-20(22-8-13-5-14(9-22)21(26)15(6-13)10-22)7-18-16-3-1-2-4-17(16)19-11-23-12-24(18)19/h1-4,11-15,18,20-21,25-26H,5-10H2/t13?,14?,15?,18?,20-,21?,22?/m0/s1
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347023
PNG
(US10202388, Compound 23A-3)
Show SMILES O[C@@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2
Show InChI InChI=1S/C22H25FN2O2/c23-16-3-1-2-15-18-10-24-11-25(18)17(20(15)16)6-19(26)22-7-12-4-13(8-22)21(27)14(5-12)9-22/h1-3,10-14,17,19,21,26-27H,4-9H2/t12?,13?,14?,17?,19-,21-,22?/m0/s1
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The TDO2 enzymatic assay was performed by UV absorption using a recombinant TDO2 and L-Tryptophan substrate. The UV absorption signal at 321 nm is co...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347039
PNG
(US10202388, Compound 52B)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)[C@H](NC(=O)c1ccccc1)C(C3)C2
Show InChI InChI=1S/C29H31N3O2/c33-26(12-24-22-8-4-5-9-23(22)25-16-30-17-32(24)25)29-13-18-10-20(14-29)27(21(11-18)15-29)31-28(34)19-6-2-1-3-7-19/h1-9,16-18,20-21,24,26-27,33H,10-15H2,(H,31,34)/t18?,20?,21?,24?,26?,27-,29?
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347003
PNG
(US10202388, Compound 4)
Show SMILES OC(CC1c2ncccc2-c2cncn12)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H25N3O/c25-19(21-8-13-4-14(9-21)6-15(5-13)10-21)7-17-20-16(2-1-3-23-20)18-11-22-12-24(17)18/h1-3,11-15,17,19,25H,4-10H2
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347002
PNG
(US10202388, Compound 3)
Show SMILES OC(CC1c2ncccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C17H21N3O/c21-16(12-5-2-1-3-6-12)9-14-17-13(7-4-8-19-17)15-10-18-11-20(14)15/h4,7-8,10-12,14,16,21H,1-3,5-6,9H2
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347035
PNG
(US10202388, Compound 45A-4)
Show SMILES O[C@@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](NS(=O)(=O)Cc1ccccc1)C(C3)C2
Show InChI InChI=1S/C29H32FN3O3S/c30-23-8-4-7-22-25-15-31-17-33(25)24(27(22)23)11-26(34)29-12-19-9-20(13-29)28(21(10-19)14-29)32-37(35,36)16-18-5-2-1-3-6-18/h1-8,15,17,19-21,24,26,28,32,34H,9-14,16H2/t19?,20?,21?,24?,26-,28-,29?/m0/s1
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347004
PNG
(US10202388, Compound 7)
Show SMILES OC(CC1c2cc(F)ccc2-c2cncn12)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H25FN2O/c23-16-1-2-17-18(6-16)19(25-12-24-11-20(17)25)7-21(26)22-8-13-3-14(9-22)5-15(4-13)10-22/h1-2,6,11-15,19,21,26H,3-5,7-10H2
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347022
PNG
(US10202388, Compound 23A-2 | US10202388, Compound ...)
Show SMILES O[C@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2
Show InChI InChI=1S/C22H25FN2O2/c23-16-3-1-2-15-18-10-24-11-25(18)17(20(15)16)6-19(26)22-7-12-4-13(8-22)21(27)14(5-12)9-22/h1-3,10-14,17,19,21,26-27H,4-9H2/t12?,13?,14?,17?,19-,21-,22?/m1/s1
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The TDO2 enzymatic assay was performed by UV absorption using a recombinant TDO2 and L-Tryptophan substrate. The UV absorption signal at 321 nm is co...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347005
PNG
(US10202388, Compound 8)
Show SMILES OC(CC1c2cccc(F)c2-c2cncn12)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H25FN2O/c23-17-3-1-2-16-18(25-12-24-11-19(25)21(16)17)7-20(26)22-8-13-4-14(9-22)6-15(5-13)10-22/h1-3,11-15,18,20,26H,4-10H2
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n/an/a 300n/an/an/an/an/an/a



SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347034
PNG
(US10202388, Compound 45A-1)
Show SMILES O[C@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](NS(=O)(=O)Cc1ccccc1)C(C3)C2
Show InChI InChI=1S/C29H32FN3O3S/c30-23-8-4-7-22-25-15-31-17-33(25)24(27(22)23)11-26(34)29-12-19-9-20(13-29)28(21(10-19)14-29)32-37(35,36)16-18-5-2-1-3-6-18/h1-8,15,17,19-21,24,26,28,32,34H,9-14,16H2/t19?,20?,21?,24?,26-,28-,29?/m1/s1
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n/an/a 300n/an/an/an/an/an/a



SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The TDO2 enzymatic assay was performed by UV absorption using a recombinant TDO2 and L-Tryptophan substrate. The UV absorption signal at 321 nm is co...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM346997
PNG
(US10202388, Compound 1-1)
Show SMILES O=C(C[C@H]1c2ccccc2-c2cncn12)[C@@]12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H24N2O/c25-21(22-9-14-5-15(10-22)7-16(6-14)11-22)8-19-17-3-1-2-4-18(17)20-12-23-13-24(19)20/h1-4,12-16,19H,5-11H2/t14?,15?,16?,19-,22-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347017
PNG
(US10202388, Compound 14A-1)
Show SMILES C[C@@]1(O)C2CC3CC1CC(C3)(C2)[C@@H](O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1S/C23H28N2O2/c1-22(27)15-6-14-7-16(22)11-23(9-14,10-15)21(26)8-19-17-4-2-3-5-18(17)20-12-24-13-25(19)20/h2-5,12-16,19,21,26-27H,6-11H2,1H3/t14?,15?,16?,19?,21-,22-,23?/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347024
PNG
(US10202388, Compound 23A-4 | US10202388, Compound ...)
Show SMILES O[C@@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2
Show InChI InChI=1S/C22H25FN2O2/c23-16-3-1-2-15-18-10-24-11-25(18)17(20(15)16)6-19(26)22-7-12-4-13(8-22)21(27)14(5-12)9-22/h1-3,10-14,17,19,21,26-27H,4-9H2/t12?,13?,14?,17?,19-,21-,22?/m0/s1
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347032
PNG
(US10202388, Compound 40)
Show SMILES OC(Cn1c2cncn2c2ccccc12)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H25N3O/c25-19(21-8-14-5-15(9-21)7-16(6-14)10-21)12-23-17-3-1-2-4-18(17)24-13-22-11-20(23)24/h1-4,11,13-16,19,25H,5-10,12H2
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n/an/a 5.50E+3n/an/an/an/an/an/a



SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347025
PNG
(US10202388, Compound 23B | US10202388, Compound 26...)
Show SMILES O[C@@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)C(O)C(C3)C2
Show InChI InChI=1S/C22H25FN2O2/c23-16-3-1-2-15-18-10-24-11-25(18)17(20(15)16)6-19(26)22-7-12-4-13(8-22)21(27)14(5-12)9-22/h1-3,10-14,17,19,21,26-27H,4-9H2/t12?,13?,14?,17?,19-,21?,22?/m0/s1
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347035
PNG
(US10202388, Compound 45A-4)
Show SMILES O[C@@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](NS(=O)(=O)Cc1ccccc1)C(C3)C2
Show InChI InChI=1S/C29H32FN3O3S/c30-23-8-4-7-22-25-15-31-17-33(25)24(27(22)23)11-26(34)29-12-19-9-20(13-29)28(21(10-19)14-29)32-37(35,36)16-18-5-2-1-3-6-18/h1-8,15,17,19-21,24,26,28,32,34H,9-14,16H2/t19?,20?,21?,24?,26-,28-,29?/m0/s1
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The TDO2 enzymatic assay was performed by UV absorption using a recombinant TDO2 and L-Tryptophan substrate. The UV absorption signal at 321 nm is co...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347001
PNG
(US10202388, Compound 2)
Show SMILES OC(CC1c2cccnc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C17H21N3O/c21-16(12-5-2-1-3-6-12)9-14-13-7-4-8-19-17(13)15-10-18-11-20(14)15/h4,7-8,10-12,14,16,21H,1-3,5-6,9H2
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347009
PNG
(US10202388, Compound 10A-3)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2
Show InChI InChI=1S/C22H26N2O2/c25-20(22-8-13-5-14(9-22)21(26)15(6-13)10-22)7-18-16-3-1-2-4-17(16)19-11-23-12-24(18)19/h1-4,11-15,18,20-21,25-26H,5-10H2/t13?,14?,15?,18?,20?,21-,22?
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347000
PNG
(US10202388, Compound 1-4)
Show SMILES O=C(C[C@@H]1c2ccccc2-c2cncn12)[C@@]12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H24N2O/c25-21(22-9-14-5-15(10-22)7-16(6-14)11-22)8-19-17-3-1-2-4-18(17)20-12-23-13-24(19)20/h1-4,12-16,19H,5-11H2/t14?,15?,16?,19-,22-/m1/s1
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347022
PNG
(US10202388, Compound 23A-2 | US10202388, Compound ...)
Show SMILES O[C@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2
Show InChI InChI=1S/C22H25FN2O2/c23-16-3-1-2-15-18-10-24-11-25(18)17(20(15)16)6-19(26)22-7-12-4-13(8-22)21(27)14(5-12)9-22/h1-3,10-14,17,19,21,26-27H,4-9H2/t12?,13?,14?,17?,19-,21-,22?/m1/s1
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SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper...


US Patent US10202388 (2019)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM347045
PNG
(4-amino-N-(3-chloro-4-fluorophenyl)-N′-hydro...)
Show SMILES Nc1nonc1C(Nc1ccc(F)c(Cl)c1)=NO
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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n/an/a 5.50E+4n/an/an/an/an/an/a



SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The TDO2 enzymatic assay was performed by UV absorption using a recombinant TDO2 and L-Tryptophan substrate. The UV absorption signal at 321 nm is co...


US Patent US10202388 (2019)

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