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Patent code US10669273

Compile Data Set for Download or QSAR
Found 42 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
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM446493
PNG
(9-chloropyrido[2′,3′:4,5]pyrimido[1,2-...)
Show SMILES Clc1ccc-2c(c1)C(=O)c1nc3ncccc3c(=O)n-21
Show InChI InChI=1S/C14H6ClN3O2/c15-7-3-4-10-9(6-7)11(19)13-17-12-8(2-1-5-16-12)14(20)18(10)13/h1-6H
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446508
PNG
(N,N-dimethyl-2-(9-nitro-5-oxopyrido[2′,3R...)
Show SMILES CN(C)C(=S)NN=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O
Show InChI InChI=1S/C17H13N7O3S/c1-22(2)17(28)21-20-13-11-8-9(24(26)27)5-6-12(11)23-15(13)19-14-10(16(23)25)4-3-7-18-14/h3-8H,1-2H3,(H,21,28)/b20-13+
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM50300305
PNG
(4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1
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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US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM50154611
PNG
(2-Nitro-4b,9,10-triaza-benzo[b]fluorene-5,11-dione...)
Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ncccc3c(=O)n-21
Show InChI InChI=1S/C14H6N4O4/c19-11-9-6-7(18(21)22)3-4-10(9)17-13(11)16-12-8(14(17)20)2-1-5-15-12/h1-6H
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US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446517
PNG
(US10669273, Compound CY-1-31 | pyrido[2,3-D]pyrido...)
Show SMILES O=C1c2cnccc2-n2c1nc1ncccc1c2=O
Show InChI InChI=1S/C13H6N4O2/c18-10-8-6-14-5-3-9(8)17-12(10)16-11-7(13(17)19)2-1-4-15-11/h1-6H
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US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM50154616
PNG
(2-Fluoro-4b,9,10-triaza-benzo[b]fluorene-5,11-dion...)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ncccc3c(=O)n-21
Show InChI InChI=1S/C14H6FN3O2/c15-7-3-4-10-9(6-7)11(19)13-17-12-8(2-1-5-16-12)14(20)18(10)13/h1-6H
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US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM50154616
PNG
(2-Fluoro-4b,9,10-triaza-benzo[b]fluorene-5,11-dion...)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ncccc3c(=O)n-21
Show InChI InChI=1S/C14H6FN3O2/c15-7-3-4-10-9(6-7)11(19)13-17-12-8(2-1-5-16-12)14(20)18(10)13/h1-6H
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446503
PNG
(11-((2-(dimethylamino)ethoxy)imino)-9-nitropyrido[...)
Show SMILES CN(C)CCON=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O
Show InChI InChI=1S/C18H16N6O4/c1-22(2)8-9-28-21-15-13-10-11(24(26)27)5-6-14(13)23-17(15)20-16-12(18(23)25)4-3-7-19-16/h3-7,10H,8-9H2,1-2H3/b21-15+
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US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446492
PNG
(9-(trifluoromethoxy)pyrido[2′,3′:4,5]p...)
Show SMILES FC(F)(F)Oc1ccc-2c(c1)C(=O)c1nc3ncccc3c(=O)n-21
Show InChI InChI=1S/C15H6F3N3O3/c16-15(17,18)24-7-3-4-10-9(6-7)11(22)13-20-12-8(2-1-5-19-12)14(23)21(10)13/h1-6H
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM50154611
PNG
(2-Nitro-4b,9,10-triaza-benzo[b]fluorene-5,11-dione...)
Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ncccc3c(=O)n-21
Show InChI InChI=1S/C14H6N4O4/c19-11-9-6-7(18(21)22)3-4-10(9)17-13(11)16-12-8(14(17)20)2-1-5-15-12/h1-6H
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446515
PNG
(2-(9-nitro-5-oxopyrido[2′,3′:4,5]pyrim...)
Show SMILES NC(=S)NN=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O
Show InChI InChI=1S/C15H9N7O3S/c16-15(26)20-19-11-9-6-7(22(24)25)3-4-10(9)21-13(11)18-12-8(14(21)23)2-1-5-17-12/h1-6H,(H3,16,20,26)/b19-11+
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446509
PNG
(2-(9-nitro-5-oxopyrido[2′,3′:4,5]pyrim...)
Show SMILES NC(=N)NN=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O
Show InChI InChI=1S/C15H10N8O3/c16-15(17)21-20-11-9-6-7(23(25)26)3-4-10(9)22-13(11)19-12-8(14(22)24)2-1-5-18-12/h1-6H,(H4,16,17,21)/b20-11+
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US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446507
PNG
(11-((2-hydroxyethoxy)imino)-9-nitropyrido[2′...)
Show SMILES OCCON=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O
Show InChI InChI=1S/C16H11N5O5/c22-6-7-26-19-13-11-8-9(21(24)25)3-4-12(11)20-15(13)18-14-10(16(20)23)2-1-5-17-14/h1-5,8,22H,6-7H2/b19-13+
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US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446504
PNG
(9-chloro-11-((2-(dimethylamino)ethoxy)imino)pyrido...)
Show SMILES CN(C)CCON=C1c2cc(Cl)ccc2-n2c1nc1ncccc1c2=O
Show InChI InChI=1S/C18H16ClN5O2/c1-23(2)8-9-26-22-15-13-10-11(19)5-6-14(13)24-17(15)21-16-12(18(24)25)4-3-7-20-16/h3-7,10H,8-9H2,1-2H3/b22-15+
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US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446498
PNG
(9-chloro-11-(hydroxyimino)pyrido[2′,3′...)
Show SMILES ON=C1c2cc(Cl)ccc2-n2c1nc1ncccc1c2=O
Show InChI InChI=1S/C14H7ClN4O2/c15-7-3-4-10-9(6-7)11(18-21)13-17-12-8(2-1-5-16-12)14(20)19(10)13/h1-6,21H/b18-11+
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US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446483
PNG
(US10669273, Compound CY-1-1 | pyrido[2′,3...)
Show SMILES O=C1c2ccccc2-n2c1nc1ncccc1c2=O
Show InChI InChI=1S/C14H7N3O2/c18-11-8-4-1-2-6-10(8)17-13(11)16-12-9(14(17)19)5-3-7-15-12/h1-7H
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US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM50442991
PNG
(CHEMBL432537 | GNF-Pf-3777 | US10669273, Compound ...)
Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7N3O4/c19-13-10-7-8(18(21)22)5-6-12(10)17-14(13)16-11-4-2-1-3-9(11)15(17)20/h1-7H
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US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446514
PNG
(11-((carboxymethoxyimino)-9-nitropyridine[2′...)
Show SMILES OC(=O)CON=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O
Show InChI InChI=1S/C16H9N5O6/c22-12(23)7-27-19-13-10-6-8(21(25)26)3-4-11(10)20-15(13)18-14-9(16(20)24)2-1-5-17-14/h1-6H,7H2,(H,22,23)/b19-13+
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US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446510
PNG
((((9-nitro-5-oxopyrido[2′,3′:4,5]pyrim...)
Show SMILES OS(=O)(=O)ON=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O
Show InChI InChI=1S/C14H7N5O7S/c20-14-8-2-1-5-15-12(8)16-13-11(17-26-27(23,24)25)9-6-7(19(21)22)3-4-10(9)18(13)14/h1-6H,(H,23,24,25)/b17-11+
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446483
PNG
(US10669273, Compound CY-1-1 | pyrido[2′,3...)
Show SMILES O=C1c2ccccc2-n2c1nc1ncccc1c2=O
Show InChI InChI=1S/C14H7N3O2/c18-11-8-4-1-2-6-10(8)17-13(11)16-12-9(14(17)19)5-3-7-15-12/h1-7H
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446494
PNG
(9-methoxypyrido[2′,3′:4,5]pyrimido[1,2...)
Show SMILES COc1ccc-2c(c1)C(=O)c1nc3ncccc3c(=O)n-21
Show InChI InChI=1S/C15H9N3O3/c1-21-8-4-5-11-10(7-8)12(19)14-17-13-9(3-2-6-16-13)15(20)18(11)14/h2-7H,1H3
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446484
PNG
(US10669273, Compound CY-1-8 | pyrido[3′,4...)
Show SMILES O=C1c2ccccc2-n2c1nc1cnccc1c2=O
Show InChI InChI=1S/C14H7N3O2/c18-12-9-3-1-2-4-11(9)17-13(12)16-10-7-15-6-5-8(10)14(17)19/h1-7H
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446502
PNG
(11-((2-(dimethylamino)ethoxy)imino)pyrido[2′...)
Show SMILES CN(C)CCON=C1c2ccccc2-n2c1nc1ncccc1c2=O
Show InChI InChI=1S/C18H17N5O2/c1-22(2)10-11-25-21-15-12-6-3-4-8-14(12)23-17(15)20-16-13(18(23)24)7-5-9-19-16/h3-9H,10-11H2,1-2H3/b21-15+
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446486
PNG
(9-methylpyrido[2′,3′:4,5]pyrimido[1,2-...)
Show SMILES Cc1ccc-2c(c1)C(=O)c1nc3ncccc3c(=O)n-21
Show InChI InChI=1S/C15H9N3O2/c1-8-4-5-11-10(7-8)12(19)14-17-13-9(3-2-6-16-13)15(20)18(11)14/h2-7H,1H3
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446511
PNG
(11-(methoxyimino)-9-nitropyrido[2′,3′:...)
Show SMILES CON=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O
Show InChI InChI=1S/C15H9N5O4/c1-24-18-12-10-7-8(20(22)23)4-5-11(10)19-14(12)17-13-9(15(19)21)3-2-6-16-13/h2-7H,1H3/b18-12+
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446496
PNG
(9-chloropyrido[3′,4′: 4,5]pyrimido[1,2...)
Show SMILES Clc1ccc-2c(c1)C(=O)c1nc3cnccc3c(=O)n-21
Show InChI InChI=1S/C14H6ClN3O2/c15-7-1-2-11-9(5-7)12(19)13-17-10-6-16-4-3-8(10)14(20)18(11)13/h1-6H
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446489
PNG
(9-fluoropyrido[3′,4′:4,5]pyrimido[1,2-...)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3cnccc3c(=O)n-21
Show InChI InChI=1S/C14H6FN3O2/c15-7-1-2-11-9(5-7)12(19)13-17-10-6-16-4-3-8(10)14(20)18(11)13/h1-6H
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM48009
PNG
(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446486
PNG
(9-methylpyrido[2′,3′:4,5]pyrimido[1,2-...)
Show SMILES Cc1ccc-2c(c1)C(=O)c1nc3ncccc3c(=O)n-21
Show InChI InChI=1S/C15H9N3O2/c1-8-4-5-11-10(7-8)12(19)14-17-13-9(3-2-6-16-13)15(20)18(11)14/h2-7H,1H3
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446505
PNG
(11-((2-(dimethylamino)ethoxy)imino)-9-fluoropyrido...)
Show SMILES CN(C)CCON=C1c2cc(F)ccc2-n2c1nc1ncccc1c2=O
Show InChI InChI=1S/C18H16FN5O2/c1-23(2)8-9-26-22-15-13-10-11(19)5-6-14(13)24-17(15)21-16-12(18(24)25)4-3-7-20-16/h3-7,10H,8-9H2,1-2H3/b22-15+
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446489
PNG
(9-fluoropyrido[3′,4′:4,5]pyrimido[1,2-...)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3cnccc3c(=O)n-21
Show InChI InChI=1S/C14H6FN3O2/c15-7-1-2-11-9(5-7)12(19)13-17-10-6-16-4-3-8(10)14(20)18(11)13/h1-6H
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446484
PNG
(US10669273, Compound CY-1-8 | pyrido[3′,4...)
Show SMILES O=C1c2ccccc2-n2c1nc1cnccc1c2=O
Show InChI InChI=1S/C14H7N3O2/c18-12-9-3-1-2-4-11(9)17-13(12)16-10-7-15-6-5-8(10)14(17)19/h1-7H
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446497
PNG
(11-(hydroxyimino)pyrido[2′,3′:4,5]pyri...)
Show SMILES ON=C1c2ccccc2-n2c1nc1ncccc1c2=O
Show InChI InChI=1S/C14H8N4O2/c19-14-9-5-3-7-15-12(9)16-13-11(17-20)8-4-1-2-6-10(8)18(13)14/h1-7,20H/b17-11+
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446495
PNG
(9-methoxypyrido[3′,4′:4,5]pyrimido[1,2...)
Show SMILES COc1ccc-2c(c1)C(=O)c1nc3cnccc3c(=O)n-21
Show InChI InChI=1S/C15H9N3O3/c1-21-8-2-3-12-10(6-8)13(19)14-17-11-7-16-5-4-9(11)15(20)18(12)14/h2-7H,1H3
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446513
PNG
(11-((allyloxy)imino)-9-nitropyrido[2′,3̸...)
Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=NOCC=C)c1nc3ncccc3c(=O)n-21
Show InChI InChI=1S/C17H11N5O4/c1-2-8-26-20-14-12-9-10(22(24)25)5-6-13(12)21-16(14)19-15-11(17(21)23)4-3-7-18-15/h2-7,9H,1,8H2/b20-14+
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM50240612
PNG
(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Show SMILES O=C1c2ccccc2-n2c1nc1ccccc1c2=O
Show InChI InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446516
PNG
(2-(9-methoxy-5-oxopyrido[2′,3′:4,5]pyr...)
Show SMILES COc1ccc-2c(c1)C(=NNC(=S)N(C)C)c1nc3ncccc3c(=O)n-21
Show InChI InChI=1S/C18H16N6O2S/c1-23(2)18(27)22-21-14-12-9-10(26-3)6-7-13(12)24-16(14)20-15-11(17(24)25)5-4-8-19-15/h4-9H,1-3H3,(H,22,27)/b21-14+
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446500
PNG
(11-(hydroxyimino)-9-methoxypyrido[2′,3′...)
Show SMILES COc1ccc-2c(c1)C(=NO)c1nc3ncccc3c(=O)n-21
Show InChI InChI=1S/C15H10N4O3/c1-22-8-4-5-11-10(7-8)12(18-21)14-17-13-9(3-2-6-16-13)15(20)19(11)14/h2-7,21H,1H3/b18-12+
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446499
PNG
(11-(hydroxyimino)-9-methylpyrido[2′,3′...)
Show SMILES Cc1ccc-2c(c1)C(=NO)c1nc3ncccc3c(=O)n-21
Show InChI InChI=1S/C15H10N4O2/c1-8-4-5-11-10(7-8)12(18-21)14-17-13-9(3-2-6-16-13)15(20)19(11)14/h2-7,21H,1H3/b18-12+
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446512
PNG
(11-(ethoxyimino)-9-nitropyrido[2′,3′:4...)
Show SMILES CCON=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O
Show InChI InChI=1S/C16H11N5O4/c1-2-25-19-13-11-8-9(21(23)24)5-6-12(11)20-15(13)18-14-10(16(20)22)4-3-7-17-14/h3-8H,2H2,1H3/b19-13+
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM446506
PNG
(9-chloro-11-((3-(dimethylamino)propoxy)imino)pyrid...)
Show SMILES CN(C)CCCON=C1c2cc(Cl)ccc2-n2c1nc1ncccc1c2=O
Show InChI InChI=1S/C19H18ClN5O2/c1-24(2)9-4-10-27-23-16-14-11-12(20)6-7-15(14)25-18(16)22-17-13(19(25)26)5-3-8-21-17/h3,5-8,11H,4,9-10H2,1-2H3/b23-16+
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Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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


(Homo sapiens (Human))
BDBM50442994
PNG
(CHEMBL312537 | US10669273, Compound 5b)
Show SMILES Cc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C16H10N2O2/c1-9-6-7-13-11(8-9)14(19)15-17-12-5-3-2-4-10(12)16(20)18(13)15/h2-8H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Peking University

US Patent


Assay Description
Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...


US Patent US10669273 (2020)

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