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Compile Data Set for Download or QSAR

Found 192 hits of ph data with Target = 'Indoleamine 2,3-dioxygenase 1'   
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))
BDBM21975
PNG
((4S)-16'-(2-aminoethyl)-9'-hydroxy-1,3,6',6'-tetra...)
Show SMILES CN1C(=O)N(C)[C@@]2(Oc3c(O)cc4c(CC[N+]4(C)C)c3C3=C2C(=O)c2c(CCN)c[nH]c2C3=O)C1=O
Show InChI InChI=1S/C25H25N5O6/c1-28-23(34)25(29(2)24(28)35)18-17(21(33)19-15(20(18)32)11(5-7-26)10-27-19)16-12-6-8-30(3,4)13(12)9-14(31)22(16)36-25/h9-10H,5-8,26H2,1-4H3,(H-,27,31,32,33)/p+1/t25-/m0/s1
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PubMed
41 -43.9n/an/an/an/an/a6.537



University of British Columbia



Assay Description
The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...


J Med Chem 51: 2634-7 (2008)


Article DOI: 10.1021/jm800143h
BindingDB Entry DOI: 10.7270/Q2MK6B65
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM21979
PNG
(4,7-dihydro-1H-indole-4,7-dione | Indolequinone, 1...)
Show SMILES O=C1C=CC(=O)c2[nH]ccc12
Show InChI InChI=1S/C8H5NO2/c10-6-1-2-7(11)8-5(6)3-4-9-8/h1-4,9H
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PubMed
190 -39.9n/an/an/an/an/a6.537



University of British Columbia



Assay Description
The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...


J Med Chem 51: 2634-7 (2008)


Article DOI: 10.1021/jm800143h
BindingDB Entry DOI: 10.7270/Q2MK6B65
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM21982
PNG
(3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimi...)
Show SMILES CCCn1c(O)c(C2=CC(=O)c3[nH]cc(CCN)c3C2=O)n(C)c1=O
Show InChI InChI=1S/C17H20N4O4/c1-3-6-21-16(24)14(20(2)17(21)25)10-7-11(22)13-12(15(10)23)9(4-5-18)8-19-13/h7-8,19,24H,3-6,18H2,1-2H3
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PubMed
200 -39.8n/an/an/an/an/a6.537



University of British Columbia



Assay Description
The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...


J Med Chem 51: 2634-7 (2008)


Article DOI: 10.1021/jm800143h
BindingDB Entry DOI: 10.7270/Q2MK6B65
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM21984
PNG
(Tryptamine quinone, 25 | methyl 4-{4,7-dioxo-3-[2-...)
Show SMILES CCCN1C(=O)N(C)C(C(=O)OC)(C1=O)C1=CC(=O)c2[nH]cc(CCNC(=O)CCc3ccccc3)c2C1=O
Show InChI InChI=1S/C28H30N4O7/c1-4-14-32-25(36)28(26(37)39-3,31(2)27(32)38)19-15-20(33)23-22(24(19)35)18(16-30-23)12-13-29-21(34)11-10-17-8-6-5-7-9-17/h5-9,15-16,30H,4,10-14H2,1-3H3,(H,29,34)
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PubMed
260 -39.1n/an/an/an/an/a6.537



University of British Columbia



Assay Description
The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...


J Med Chem 51: 2634-7 (2008)


Article DOI: 10.1021/jm800143h
BindingDB Entry DOI: 10.7270/Q2MK6B65
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM21981
PNG
(Tryptamine quinone, 21 | methyl 4-[3-(2-{[(benzylo...)
Show SMILES CCCN1C(=O)N(C)C(C(=O)OC)(C1=O)C1=CC(=O)c2[nH]cc(CCNC(=O)OCc3ccccc3)c2C1=O
Show InChI InChI=1S/C27H28N4O8/c1-4-12-31-23(34)27(24(35)38-3,30(2)26(31)37)18-13-19(32)21-20(22(18)33)17(14-29-21)10-11-28-25(36)39-15-16-8-6-5-7-9-16/h5-9,13-14,29H,4,10-12,15H2,1-3H3,(H,28,36)
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260 -39.1n/an/an/an/an/a6.537



University of British Columbia



Assay Description
The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...


J Med Chem 51: 2634-7 (2008)


Article DOI: 10.1021/jm800143h
BindingDB Entry DOI: 10.7270/Q2MK6B65
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM21980
PNG
(Indolequinone, 20 | methyl 4-(4,7-dioxo-4,7-dihydr...)
Show SMILES CCCN1C(=O)N(C)C(C(=O)OC)(C1=O)C1=CC(=O)c2[nH]ccc2C1=O
Show InChI InChI=1S/C17H17N3O6/c1-4-7-20-14(23)17(15(24)26-3,19(2)16(20)25)10-8-11(21)12-9(13(10)22)5-6-18-12/h5-6,8,18H,4,7H2,1-3H3
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PubMed
420 -37.9n/an/an/an/an/a6.537



University of British Columbia



Assay Description
The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...


J Med Chem 51: 2634-7 (2008)


Article DOI: 10.1021/jm800143h
BindingDB Entry DOI: 10.7270/Q2MK6B65
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM21976
PNG
(Tryptamine quinone, 9 | benzyl N-[2-(4,7-dioxo-4,7...)
Show SMILES O=C(NCCc1c[nH]c2c1C(=O)C=CC2=O)OCc1ccccc1
Show InChI InChI=1S/C18H16N2O4/c21-14-6-7-15(22)17-16(14)13(10-20-17)8-9-19-18(23)24-11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2,(H,19,23)
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PubMed
1.49E+3 -34.6n/an/an/an/an/a6.537



University of British Columbia



Assay Description
The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...


J Med Chem 51: 2634-7 (2008)


Article DOI: 10.1021/jm800143h
BindingDB Entry DOI: 10.7270/Q2MK6B65
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24666
PNG
(4-(1H-imidazol-4-yl)benzene-1-thiol | 4-(1H-imidaz...)
Show SMILES Sc1ccc(cc1)-c1c[nH]cn1
Show InChI InChI=1S/C9H8N2S/c12-8-3-1-7(2-4-8)9-5-10-6-11-9/h1-6,12H,(H,10,11)
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PubMed
4.80E+3 -31.6 7.70E+3n/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 4968-77 (2008)


Article DOI: 10.1021/jm800512z
BindingDB Entry DOI: 10.7270/Q2154FB1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24665
PNG
(3-(1H-imidazol-4-yl)benzene-1-thiol | 3-(1H-imidaz...)
Show SMILES Sc1cccc(c1)-c1c[nH]cn1
Show InChI InChI=1S/C9H8N2S/c12-8-3-1-2-7(4-8)9-5-10-6-11-9/h1-6,12H,(H,10,11)
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PubMed
5.30E+3 -31.3 7.60E+3n/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 4968-77 (2008)


Article DOI: 10.1021/jm800512z
BindingDB Entry DOI: 10.7270/Q2154FB1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24663
PNG
(2-(1H-imidazol-4-yl)phenol | 2-(1H-imidazol-4-yl)p...)
Show SMILES Oc1ccccc1-c1c[nH]cn1
Show InChI InChI=1S/C9H8N2O/c12-9-4-2-1-3-7(9)8-5-10-6-11-8/h1-6,12H,(H,10,11)
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PubMed
8.90E+3 -30.0 4.80E+3n/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 4968-77 (2008)


Article DOI: 10.1021/jm800512z
BindingDB Entry DOI: 10.7270/Q2154FB1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM21977
PNG
(Tryptamine quinone, 13 | benzyl N-{2-[5-(1,3-dioxo...)
Show SMILES O=C(NCCc1c[nH]c2c1C(=O)C(=CC2=O)C1(C(=O)c2ccccc2C1=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C33H24N2O6/c36-26-17-25(33(22-11-5-2-6-12-22)30(38)23-13-7-8-14-24(23)31(33)39)29(37)27-21(18-35-28(26)27)15-16-34-32(40)41-19-20-9-3-1-4-10-20/h1-14,17-18,35H,15-16,19H2,(H,34,40)
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1.09E+4 -29.5n/an/an/an/an/a6.537



University of British Columbia



Assay Description
The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...


J Med Chem 51: 2634-7 (2008)


Article DOI: 10.1021/jm800143h
BindingDB Entry DOI: 10.7270/Q2MK6B65
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24828
PNG
(Brassinin derivative, 16 | N-[2-(1H-indol-3-yl)eth...)
Show SMILES S=C(NCCc1c[nH]c2ccccc12)SCc1ccc2ccccc2c1
Show InChI InChI=1S/C22H20N2S2/c25-22(23-12-11-19-14-24-21-8-4-3-7-20(19)21)26-15-16-9-10-17-5-1-2-6-18(17)13-16/h1-10,13-14,24H,11-12,15H2,(H,23,25)
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PubMed
1.16E+4 -29.3n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24825
PNG
((benzylsulfanyl)-N-(1H-indol-3-ylmethyl)carbothioa...)
Show SMILES S=C(NCc1c[nH]c2ccccc12)SCc1ccccc1
Show InChI InChI=1S/C17H16N2S2/c20-17(21-12-13-6-2-1-3-7-13)19-11-14-10-18-16-9-5-4-8-15(14)16/h1-10,18H,11-12H2,(H,19,20)
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PubMed
1.32E+4 -29.0n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24827
PNG
((benzylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]carboth...)
Show SMILES S=C(NCCc1c[nH]c2ccccc12)SCc1ccccc1
Show InChI InChI=1S/C18H18N2S2/c21-18(22-13-14-6-2-1-3-7-14)19-11-10-15-12-20-17-9-5-4-8-16(15)17/h1-9,12,20H,10-11,13H2,(H,19,21)
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PubMed
1.72E+4 -28.3n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24830
PNG
(Brassinin derivative, 18 | N-[2-(1H-indol-3-yl)eth...)
Show SMILES S=C(NCCc1c[nH]c2ccccc12)SCc1ccncc1
Show InChI InChI=1S/C17H17N3S2/c21-17(22-12-13-5-8-18-9-6-13)19-10-7-14-11-20-16-4-2-1-3-15(14)16/h1-6,8-9,11,20H,7,10,12H2,(H,19,21)
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PubMed
2.05E+4 -27.8n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24829
PNG
(Brassinin derivative, 17 | N-[2-(1H-indol-3-yl)eth...)
Show SMILES S=C(NCCc1c[nH]c2ccccc12)SCc1cccnc1
Show InChI InChI=1S/C17H17N3S2/c21-17(22-12-13-4-3-8-18-10-13)19-9-7-14-11-20-16-6-2-1-5-15(14)16/h1-6,8,10-11,20H,7,9,12H2,(H,19,21)
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2.84E+4 -27.0n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24816
PNG
(Brassinin derivative, 4 | N-[3-(1H-indol-3-yl)prop...)
Show SMILES CSC(=S)NCCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H16N2S2/c1-17-13(16)14-8-4-5-10-9-15-12-7-3-2-6-11(10)12/h2-3,6-7,9,15H,4-5,8H2,1H3,(H,14,16)
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3.40E+4 -26.5n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24824
PNG
(Brassinin derivative, 12 | N-(1H-indol-3-ylmethyl)...)
Show SMILES C=CCSC(=S)NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2S2/c1-2-7-17-13(16)15-9-10-8-14-12-6-4-3-5-11(10)12/h2-6,8,14H,1,7,9H2,(H,15,16)
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PubMed
3.70E+4 -26.3n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24815
PNG
(Brassinin derivative, 3 | N-[2-(1-benzothiophen-3-...)
Show SMILES CSC(=S)NCCc1csc2ccccc12
Show InChI InChI=1S/C12H13NS3/c1-15-12(14)13-7-6-9-8-16-11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H,13,14)
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PubMed
4.10E+4 -26.1n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24817
PNG
(Brassinin derivative, 5 | N-(2,3-dihydro-1H-inden-...)
Show SMILES CSC(=S)NC1Cc2ccccc2C1
Show InChI InChI=1S/C11H13NS2/c1-14-11(13)12-10-6-8-4-2-3-5-9(8)7-10/h2-5,10H,6-7H2,1H3,(H,12,13)
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PubMed
4.21E+4 -26.0n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24819
PNG
((methylsulfanyl)-N-(naphthalen-2-ylmethyl)carbothi...)
Show SMILES CSC(=S)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C13H13NS2/c1-16-13(15)14-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3,(H,14,15)
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PubMed
4.76E+4 -25.7n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
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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PubMed
6.20E+4 -25.0n/an/an/an/an/a6.537



University of British Columbia



Assay Description
The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...


J Med Chem 51: 2634-7 (2008)


Article DOI: 10.1021/jm800143h
BindingDB Entry DOI: 10.7270/Q2MK6B65
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24821
PNG
((methylsulfanyl)-N-(2-phenylethyl)carbothioamide |...)
Show SMILES CSC(=S)NCCc1ccccc1
Show InChI InChI=1S/C10H13NS2/c1-13-10(12)11-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)
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PubMed
6.24E+4 -25.0n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24820
PNG
(Brassinin derivative, 8 | N-benzyl(methylsulfanyl)...)
Show SMILES CSC(=S)NCc1ccccc1
Show InChI InChI=1S/C9H11NS2/c1-12-9(11)10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
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PubMed
7.24E+4 -24.6n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24814
PNG
(Brassinin derivative, 2 | N-[2-(1H-indol-3-yl)ethy...)
Show SMILES CSC(=S)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H14N2S2/c1-16-12(15)13-7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15)
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PubMed
8.25E+4 -24.2n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24813
PNG
(Brassinin, 1 | N-(1H-indol-3-ylmethyl)(methylsulfa...)
Show SMILES CSC(=S)NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H12N2S2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)
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PubMed
9.77E+4 -23.8n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24822
PNG
(Brassinin derivative, 10 | N-[2-(4-fluorophenyl)et...)
Show SMILES CSC(=S)NCCc1ccc(F)cc1
Show InChI InChI=1S/C10H12FNS2/c1-14-10(13)12-7-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H,12,13)
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PubMed
1.49E+5 -22.7n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24818
PNG
(Brassinin derivative, 6 | N-(adamantan-2-yl)(methy...)
Show SMILES CSC(=S)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C12H19NS2/c1-15-12(14)13-11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6H2,1H3,(H,13,14)
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PubMed
1.80E+5 -22.2n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24834
PNG
(N-(1H-indol-3-ylmethyl)propanethioamide | thioamid...)
Show SMILES CCC(=S)NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H14N2S/c1-2-12(15)14-8-9-7-13-11-6-4-3-5-10(9)11/h3-7,13H,2,8H2,1H3,(H,14,15)
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PubMed
2.02E+5 -21.9n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24836
PNG
(4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole | th...)
Show SMILES Cc1nc(Cc2c[nH]c3ccccc23)cs1
Show InChI InChI=1S/C13H12N2S/c1-9-15-11(8-16-9)6-10-7-14-13-5-3-2-4-12(10)13/h2-5,7-8,14H,6H2,1H3
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PubMed
3.29E+5 -20.7n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24832
PNG
(1-[2-(1H-indol-3-yl)ethyl]-3-methylthiourea | thio...)
Show SMILES CNC(=S)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H15N3S/c1-13-12(16)14-7-6-9-8-15-11-5-3-2-4-10(9)11/h2-5,8,15H,6-7H2,1H3,(H2,13,14,16)
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PubMed
3.42E+5 -20.6n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24826
PNG
((hexylsulfanyl)-N-(1H-indol-3-ylmethyl)carbothioam...)
Show SMILES CCCCCCSC(=S)NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C16H22N2S2/c1-2-3-4-7-10-20-16(19)18-12-13-11-17-15-9-6-5-8-14(13)15/h5-6,8-9,11,17H,2-4,7,10,12H2,1H3,(H,18,19)
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PubMed
3.64E+5 -20.4n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24823
PNG
(Brassinin derivative, 11 | N-methyl(methylsulfanyl...)
Show SMILES CSC(=S)N(C)CCc1ccccc1
Show InChI InChI=1S/C11H15NS2/c1-12(11(13)14-2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
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PubMed
1.27E+6 -17.2n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24835
PNG
(4-(1H-indol-3-ylmethyl)-1,3-thiazole | thiazole, 2...)
Show SMILES C(c1cscn1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C12H10N2S/c1-2-4-12-11(3-1)9(6-13-12)5-10-7-15-8-14-10/h1-4,6-8,13H,5H2
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PubMed
1.29E+6 -17.2n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24774
PNG
(2,3-dichloro-1,4-dihydronaphthalene-1,4-dione | 2,...)
Show SMILES ClC1=C(Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H
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n/an/a 280n/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24775
PNG
(2-methoxy-1,4-dihydronaphthalene-1,4-dione | 2-met...)
Show SMILES COC1=CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3
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PubMed
n/an/a 720n/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24776
PNG
(1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...)
Show SMILES O=C1C=CC(=O)c2ccccc12
Show InChI InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
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n/an/a 990n/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24777
PNG
(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...)
Show SMILES Oc1cccc2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
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n/an/a 1.00E+3n/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24778
PNG
(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Show SMILES CC1=CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
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n/an/a 1.10E+3n/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM22851
PNG
(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Show SMILES O=C1C=Cc2ccccc2C1=O
Show InChI InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H
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n/an/a 7.10E+3n/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24779
PNG
(2-Hydroxy-[1,4]naphthoquinone | 2-hydroxy-1,4-dihy...)
Show SMILES O=C1CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4H,5H2
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n/an/a 6.75E+5n/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM22774
PNG
(1,4-Benzoquinone | Benzil-related compound, 53 | C...)
Show SMILES O=C1C=CC(=O)C=C1
Show InChI InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
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n/an/an/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24780
PNG
(2-methyl-1,4-benzoquinone, 9 | 2-methylcyclohexa-2...)
Show SMILES CC1=CC(=O)C=CC1=O
Show InChI InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
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n/an/an/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24781
PNG
(2-phenyl-1,4-benzoquinone, 10 | 2-phenylcyclohexa-...)
Show SMILES O=C1C=CC(=O)C(=C1)c1ccccc1
Show InChI InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H
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n/an/an/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24782
PNG
(2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexad...)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/t23-,24-/m1/s1
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n/an/an/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24783
PNG
(4H-chromen-4-one | chromone, 12)
Show SMILES O=c1ccoc2ccccc12
Show InChI InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
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n/an/an/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24784
PNG
((2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]...)
Show SMILES CC1=C(SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H23N3O8S/c1-10-17(28)11-4-2-3-5-12(11)18(29)19(10)33-9-14(20(30)23-8-16(26)27)24-15(25)7-6-13(22)21(31)32/h2-5,13-14H,6-9,22H2,1H3,(H,23,30)(H,24,25)(H,26,27)(H,31,32)/t13-,14-/m0/s1
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n/an/a 880n/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24785
PNG
((2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]...)
Show SMILES Cc1c(O)c2ccccc2c(O)c1SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C21H25N3O8S/c1-10-17(28)11-4-2-3-5-12(11)18(29)19(10)33-9-14(20(30)23-8-16(26)27)24-15(25)7-6-13(22)21(31)32/h2-5,13-14,28-29H,6-9,22H2,1H3,(H,23,30)(H,24,25)(H,26,27)(H,31,32)/t13-,14-/m0/s1
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n/an/a 340n/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24786
PNG
(2,2-dimethyl-2H,5H,10H-benzo[g]chromene-5,10-dione...)
Show SMILES CC1(C)OC2=C(C=C1)C(=O)c1ccccc1C2=O
Show InChI InChI=1S/C15H12O3/c1-15(2)8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-15/h3-8H,1-2H3
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n/an/a 214n/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM24787
PNG
(Pyranonaphthoquinone derivative, 24 | methyl 2-met...)
Show SMILES COC(=O)C1(C)OC2=C(C=C1)C(=O)c1ccccc1C2=O
Show InChI InChI=1S/C16H12O5/c1-16(15(19)20-2)8-7-11-12(17)9-5-3-4-6-10(9)13(18)14(11)21-16/h3-8H,1-2H3
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n/an/a 247n/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair
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