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PubMed code 18393489

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Indoleamine 2,3-dioxygenase 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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Article
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))
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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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))
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))
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))
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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PubMed
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))
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))
BDBM21978
PNG
(1H-indol-4-ol | 4-hydroxyindole, 18)
Show SMILES Oc1cccc2[nH]ccc12
Show InChI InChI=1S/C8H7NO/c10-8-3-1-2-7-6(8)4-5-9-7/h1-5,9-10H
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Article
PubMed
n/an/an/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))
BDBM21983
PNG
(3-(2-aminoethyl)-5,10-diphenyl-1H,4H,11H-anthracen...)
Show SMILES NCCc1c[nH]c2c1C(=O)c1c(C2=O)c(-c2ccccc2)c2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C30H22N2O2/c31-16-15-20-17-32-28-25(20)29(33)26-23(18-9-3-1-4-10-18)21-13-7-8-14-22(21)24(27(26)30(28)34)19-11-5-2-6-12-19/h1-14,17,32H,15-16,31H2
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PubMed
n/an/an/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
* indicates data uncertainty>20%