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Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50045127   
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 1


(Homo sapiens (Human))
BDBM21973
PNG
(1-Methyltryptophan, 1 | 2-amino-3-(1-methyl-1H-ind...)
Show SMILES Cn1cc(CC(N)C(O)=O)c2ccccc12
Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)
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3.40E+4n/an/an/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO using L-tryptophan as substrate


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046105
PNG
(CHEMBL3310843)
Show SMILES Cc1cccc(NNS(=O)(=O)c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C14H16N2O4S2/c1-11-4-3-5-12(10-11)15-16-22(19,20)14-8-6-13(7-9-14)21(2,17)18/h3-10,15-16H,1-2H3
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n/an/a 43n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM80319
PNG
(MLS001171649 | N-[4-(m-toluidinosulfamoyl)phenyl]a...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1cccc(C)c1
Show InChI InChI=1S/C15H17N3O3S/c1-11-4-3-5-14(10-11)17-18-22(20,21)15-8-6-13(7-9-15)16-12(2)19/h3-10,17-18H,1-2H3,(H,16,19)
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n/an/a 49n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046106
PNG
(CHEMBL3310847)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(C)cc1
Show InChI InChI=1S/C15H17N3O3S/c1-11-3-5-14(6-4-11)17-18-22(20,21)15-9-7-13(8-10-15)16-12(2)19/h3-10,17-18H,1-2H3,(H,16,19)
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n/an/a 51n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046107
PNG
(CHEMBL3310860)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)c(C)c1
Show InChI InChI=1S/C15H16BrN3O3S/c1-10-9-13(5-8-15(10)16)18-19-23(21,22)14-6-3-12(4-7-14)17-11(2)20/h3-9,18-19H,1-2H3,(H,17,20)
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n/an/a 58n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046108
PNG
(CHEMBL3310844)
Show SMILES Cc1cccc(NNS(=O)(=O)c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C14H13N3O2S/c1-11-3-2-4-13(9-11)16-17-20(18,19)14-7-5-12(10-15)6-8-14/h2-9,16-17H,1H3
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n/an/a 59n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046109
PNG
(CHEMBL3310845)
Show SMILES Cc1cccc(NNS(=O)(=O)c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c1
Show InChI InChI=1S/C19H16F3N3O3S/c1-13-3-2-4-15(11-13)24-25-29(26,27)17-8-6-16(7-9-17)28-18-10-5-14(12-23-18)19(20,21)22/h2-12,24-25H,1H3
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n/an/a 59n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046110
PNG
(CHEMBL3310981)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C13H11BrN2O4S/c14-10-3-5-11(6-4-10)15-16-21(19,20)12-7-1-9(2-8-12)13(17)18/h1-8,15-16H,(H,17,18)
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n/an/a 61n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046125
PNG
(CHEMBL3310846)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccccc1
Show InChI InChI=1S/C14H15N3O3S/c1-11(18)15-12-7-9-14(10-8-12)21(19,20)17-16-13-5-3-2-4-6-13/h2-10,16-17H,1H3,(H,15,18)
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n/an/a 71n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046127
PNG
(CHEMBL3310852)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(F)cc1
Show InChI InChI=1S/C14H14FN3O3S/c1-10(19)16-12-6-8-14(9-7-12)22(20,21)18-17-13-4-2-11(15)3-5-13/h2-9,17-18H,1H3,(H,16,19)
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n/an/a 79n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046136
PNG
(CHEMBL3310298)
Show SMILES Cc1cccc(NNS(=O)(=O)c2ccc(cc2)C(=O)NCC(O)=O)c1
Show InChI InChI=1S/C16H17N3O5S/c1-11-3-2-4-13(9-11)18-19-25(23,24)14-7-5-12(6-8-14)16(22)17-10-15(20)21/h2-9,18-19H,10H2,1H3,(H,17,22)(H,20,21)
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n/an/a 80n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046140
PNG
(CHEMBL3310974)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C12H10Br2N2O2S/c13-9-1-5-11(6-2-9)15-16-19(17,18)12-7-3-10(14)4-8-12/h1-8,15-16H
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n/an/a 85n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046142
PNG
(CHEMBL3310858)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C14H13ClFN3O3S/c1-9(20)17-10-2-5-12(6-3-10)23(21,22)19-18-11-4-7-14(16)13(15)8-11/h2-8,18-19H,1H3,(H,17,20)
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n/an/a 110n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046143
PNG
(CHEMBL3310977)
Show SMILES COC(=O)CCc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C16H17BrN2O4S/c1-23-16(20)11-4-12-2-9-15(10-3-12)24(21,22)19-18-14-7-5-13(17)6-8-14/h2-3,5-10,18-19H,4,11H2,1H3
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n/an/a 121n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046144
PNG
(CHEMBL3310855)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1cccc(F)c1
Show InChI InChI=1S/C14H14FN3O3S/c1-10(19)16-12-5-7-14(8-6-12)22(20,21)18-17-13-4-2-3-11(15)9-13/h2-9,17-18H,1H3,(H,16,19)
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n/an/a 122n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046146
PNG
(CHEMBL3310980)
Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C14H13BrN2O5S/c15-10-1-3-11(4-2-10)16-17-23(20,21)13-7-5-12(6-8-13)22-9-14(18)19/h1-8,16-17H,9H2,(H,18,19)
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n/an/a 125n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046147
PNG
(CHEMBL3310857)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(F)c(Br)c1
Show InChI InChI=1S/C14H13BrFN3O3S/c1-9(20)17-10-2-5-12(6-3-10)23(21,22)19-18-11-4-7-14(16)13(15)8-11/h2-8,18-19H,1H3,(H,17,20)
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n/an/a 128n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046141
PNG
(CHEMBL3310854)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C14H14BrN3O3S/c1-10(19)16-12-6-8-14(9-7-12)22(20,21)18-17-13-4-2-11(15)3-5-13/h2-9,17-18H,1H3,(H,16,19)
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n/an/a 130n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046149
PNG
(CHEMBL3310978)
Show SMILES CCCC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C16H18BrN3O3S/c1-2-3-16(21)18-13-8-10-15(11-9-13)24(22,23)20-19-14-6-4-12(17)5-7-14/h4-11,19-20H,2-3H2,1H3,(H,18,21)
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n/an/a 132n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046151
PNG
(CHEMBL3310979)
Show SMILES OC(=O)CCc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C15H15BrN2O4S/c16-12-4-6-13(7-5-12)17-18-23(21,22)14-8-1-11(2-9-14)3-10-15(19)20/h1-2,4-9,17-18H,3,10H2,(H,19,20)
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n/an/a 141n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046152
PNG
(CHEMBL3310853)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Cl)cc1
Show InChI InChI=1S/C14H14ClN3O3S/c1-10(19)16-12-6-8-14(9-7-12)22(20,21)18-17-13-4-2-11(15)3-5-13/h2-9,17-18H,1H3,(H,16,19)
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n/an/a 155n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046104
PNG
(CHEMBL3310297)
Show SMILES O=S(=O)(CCc1ccccc1)NNc1ccccc1
Show InChI InChI=1S/C14H16N2O2S/c17-19(18,12-11-13-7-3-1-4-8-13)16-15-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
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n/an/a 167n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046148
PNG
(CHEMBL3310973)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C12H11BrN2O2S/c13-10-6-8-11(9-7-10)14-15-18(16,17)12-4-2-1-3-5-12/h1-9,14-15H
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n/an/a 172n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046150
PNG
(CHEMBL3310976)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C13H10BrN3O2S/c14-11-3-5-12(6-4-11)16-17-20(18,19)13-7-1-10(9-15)2-8-13/h1-8,16-17H
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n/an/a 176n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046139
PNG
(CHEMBL3310861)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C14H13ClFN3O3S/c1-9(20)17-10-2-5-12(6-3-10)23(21,22)19-18-11-4-7-13(15)14(16)8-11/h2-8,18-19H,1H3,(H,17,20)
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n/an/a 194n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046154
PNG
(CHEMBL3310859)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)c(F)c1
Show InChI InChI=1S/C14H13BrFN3O3S/c1-9(20)17-10-2-5-12(6-3-10)23(21,22)19-18-11-4-7-13(15)14(16)8-11/h2-8,18-19H,1H3,(H,17,20)
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n/an/a 205n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046155
PNG
(CHEMBL3310864)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H13Cl2N3O3S/c1-9(20)17-10-2-5-12(6-3-10)23(21,22)19-18-11-4-7-13(15)14(16)8-11/h2-8,18-19H,1H3,(H,17,20)
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n/an/a 247n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046156
PNG
(CHEMBL3310848)
Show SMILES COc1ccc(NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
Show InChI InChI=1S/C15H17N3O4S/c1-11(19)16-12-5-9-15(10-6-12)23(20,21)18-17-13-3-7-14(22-2)8-4-13/h3-10,17-18H,1-2H3,(H,16,19)
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n/an/a 254n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046157
PNG
(CHEMBL3310856)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1cccc(Br)c1
Show InChI InChI=1S/C14H14BrN3O3S/c1-10(19)16-12-5-7-14(8-6-12)22(20,21)18-17-13-4-2-3-11(15)9-13/h2-9,17-18H,1H3,(H,16,19)
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n/an/a 255n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046158
PNG
(CHEMBL3310972)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H13Cl2N3O3S/c1-9(20)17-12-2-4-14(5-3-12)23(21,22)19-18-13-7-10(15)6-11(16)8-13/h2-8,18-19H,1H3,(H,17,20)
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n/an/a 352n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046159
PNG
(CHEMBL3310863)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(F)cc1F
Show InChI InChI=1S/C14H13F2N3O3S/c1-9(20)17-11-3-5-12(6-4-11)23(21,22)19-18-14-7-2-10(15)8-13(14)16/h2-8,18-19H,1H3,(H,17,20)
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n/an/a 608n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046160
PNG
(CHEMBL3310975)
Show SMILES COc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C13H13BrN2O3S/c1-19-12-6-8-13(9-7-12)20(17,18)16-15-11-4-2-10(14)3-5-11/h2-9,15-16H,1H3
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n/an/a 1.43E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046153
PNG
(CHEMBL3310851)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H14F3N3O3S/c1-10(22)19-12-6-8-14(9-7-12)25(23,24)21-20-13-4-2-11(3-5-13)15(16,17)18/h2-9,20-21H,1H3,(H,19,22)
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n/an/a 1.61E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046162
PNG
(CHEMBL3310862)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1cc(F)cc(F)c1
Show InChI InChI=1S/C14H13F2N3O3S/c1-9(20)17-12-2-4-14(5-3-12)23(21,22)19-18-13-7-10(15)6-11(16)8-13/h2-8,18-19H,1H3,(H,17,20)
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n/an/a 1.75E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046163
PNG
(CHEMBL3310850)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N4O5S2/c1-10(19)16-11-2-8-14(9-3-11)25(22,23)18-17-12-4-6-13(7-5-12)24(15,20)21/h2-9,17-18H,1H3,(H,16,19)(H2,15,20,21)
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n/an/a 2.48E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046164
PNG
(CHEMBL3310982)
Show SMILES CN(NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C15H16BrN3O3S/c1-11(20)17-13-5-9-15(10-6-13)23(21,22)18-19(2)14-7-3-12(16)4-8-14/h3-10,18H,1-2H3,(H,17,20)
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n/an/a 4.06E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046161
PNG
(CHEMBL3310849)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(cc1)C#N
Show InChI InChI=1S/C15H14N4O3S/c1-11(20)17-13-6-8-15(9-7-13)23(21,22)19-18-14-4-2-12(10-16)3-5-14/h2-9,18-19H,1H3,(H,17,20)
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n/an/a 5.67E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046104
PNG
(CHEMBL3310297)
Show SMILES O=S(=O)(CCc1ccccc1)NNc1ccccc1
Show InChI InChI=1S/C14H16N2O2S/c17-19(18,12-11-13-7-3-1-4-8-13)16-15-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
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n/an/an/an/a>10n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO in human HeLa cells after 24 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046139
PNG
(CHEMBL3310861)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C14H13ClFN3O3S/c1-9(20)17-10-2-5-12(6-3-10)23(21,22)19-18-11-4-7-13(15)14(16)8-11/h2-8,18-19H,1H3,(H,17,20)
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n/an/an/an/a 84n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO in human HeLa cells after 24 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046141
PNG
(CHEMBL3310854)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C14H14BrN3O3S/c1-10(19)16-12-6-8-14(9-7-12)22(20,21)18-17-13-4-2-11(15)3-5-13/h2-9,17-18H,1H3,(H,16,19)
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n/an/an/an/a 85n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO in human HeLa cells after 24 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046148
PNG
(CHEMBL3310973)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C12H11BrN2O2S/c13-10-6-8-11(9-7-10)14-15-18(16,17)12-4-2-1-3-5-12/h1-9,14-15H
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n/an/an/an/a 128n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO in human HeLa cells after 24 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046107
PNG
(CHEMBL3310860)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)c(C)c1
Show InChI InChI=1S/C15H16BrN3O3S/c1-10-9-13(5-8-15(10)16)18-19-23(21,22)14-6-3-12(4-7-14)17-11(2)20/h3-9,18-19H,1-2H3,(H,17,20)
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n/an/an/an/a 130n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO in human HeLa cells after 24 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046150
PNG
(CHEMBL3310976)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C13H10BrN3O2S/c14-11-3-5-12(6-4-11)16-17-20(18,19)13-7-1-10(9-15)2-8-13/h1-8,16-17H
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n/an/an/an/a 134n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO in human HeLa cells after 24 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046152
PNG
(CHEMBL3310853)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Cl)cc1
Show InChI InChI=1S/C14H14ClN3O3S/c1-10(19)16-12-6-8-14(9-7-12)22(20,21)18-17-13-4-2-11(15)3-5-13/h2-9,17-18H,1H3,(H,16,19)
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n/an/an/an/a 142n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO in human HeLa cells after 24 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046146
PNG
(CHEMBL3310980)
Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C14H13BrN2O5S/c15-10-1-3-11(4-2-10)16-17-23(20,21)13-7-5-12(6-8-13)22-9-14(18)19/h1-8,16-17H,9H2,(H,18,19)
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n/an/an/an/a 152n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO in human HeLa cells after 24 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046110
PNG
(CHEMBL3310981)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C13H11BrN2O4S/c14-10-3-5-11(6-4-10)15-16-21(19,20)12-7-1-9(2-8-12)13(17)18/h1-8,15-16H,(H,17,18)
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n/an/an/an/a 172n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO in human HeLa cells after 24 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046153
PNG
(CHEMBL3310851)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H14F3N3O3S/c1-10(22)19-12-6-8-14(9-7-12)25(23,24)21-20-13-4-2-11(3-5-13)15(16,17)18/h2-9,20-21H,1H3,(H,19,22)
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n/an/an/an/a 181n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO in human HeLa cells after 24 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046151
PNG
(CHEMBL3310979)
Show SMILES OC(=O)CCc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C15H15BrN2O4S/c16-12-4-6-13(7-5-12)17-18-23(21,22)14-8-1-11(2-9-14)3-10-15(19)20/h1-2,4-9,17-18H,3,10H2,(H,19,20)
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n/an/an/an/a 183n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO in human HeLa cells after 24 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046154
PNG
(CHEMBL3310859)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)c(F)c1
Show InChI InChI=1S/C14H13BrFN3O3S/c1-9(20)17-10-2-5-12(6-3-10)23(21,22)19-18-11-4-7-13(15)14(16)8-11/h2-8,18-19H,1H3,(H,17,20)
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n/an/an/an/a 187n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO in human HeLa cells after 24 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046149
PNG
(CHEMBL3310978)
Show SMILES CCCC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C16H18BrN3O3S/c1-2-3-16(21)18-13-8-10-15(11-9-13)24(22,23)20-19-14-6-4-12(17)5-7-14/h4-11,19-20H,2-3H2,1H3,(H,18,21)
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n/an/an/an/a 187n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO in human HeLa cells after 24 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
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