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Compile Data Set for Download or QSAR

Found 908 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM50324701
PNG
(CHEMBL1221472 | Exiguamine A)
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-/m1/s1
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41n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase


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


(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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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...


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


(Homo sapiens (human))
BDBM50442991
PNG
(CHEMBL432537 | GNF-Pf-3777)
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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54n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


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


(Homo sapiens (human))
BDBM50324700
PNG
(CHEMBL1221412 | Exiguamine B)
Show SMILES CN1C(=O)N(C)[C@]2(Oc3c(O)cc4c([C@H](O)C[N+]4(C)C)c3C3=C2C(=O)c2c(CCN)c[nH]c2C3=O)C1=O
Show InChI InChI=1S/C25H25N5O7/c1-28-23(35)25(29(2)24(28)36)18-17(21(34)19-14(20(18)33)10(5-6-26)8-27-19)16-15-11(7-12(31)22(16)37-25)30(3,4)9-13(15)32/h7-8,13,32H,5-6,9,26H2,1-4H3,(H-,27,31,33,34)/p+1/t13-,25-/m1/s1
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80n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase


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


(Homo sapiens (human))
BDBM50324699
PNG
(CHEMBL1221473 | Seco-exiguamine)
Show SMILES CN(C)CCc1ccc(O)c(O)c1C1=C(c2c(O)n(C)c(=O)n2C)C(=O)c2c(CCN)c[nH]c2C1=O
Show InChI InChI=1S/C25H29N5O6/c1-28(2)10-8-12-5-6-14(31)21(32)15(12)17-18(20-24(35)30(4)25(36)29(20)3)22(33)16-13(7-9-26)11-27-19(16)23(17)34/h5-6,11,27,31-32,35H,7-10,26H2,1-4H3
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80n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase


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


(Homo sapiens (human))
BDBM50013811
PNG
(9H-beta-Carboline | 9H-pyrido[3,4-b]indole | CHEMB...)
Show SMILES c1ccc2c(c1)[nH]c1cnccc21
Show InChI InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
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120n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of IDO


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


(Homo sapiens (human))
BDBM50241709
PNG
(CHEMBL465020 | annulin B)
Show SMILES CCc1c(C)cc2c(O)c3c(OC(C)(C(=O)OC)C(=O)C3(C)C)c(O)c2c1O
Show InChI InChI=1S/C21H24O7/c1-7-10-9(2)8-11-12(14(10)22)16(24)17-13(15(11)23)20(3,4)18(25)21(5,28-17)19(26)27-6/h8,22-24H,7H2,1-6H3
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120n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


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


(Homo sapiens (human))
BDBM50241707
PNG
(CHEMBL518688 | annulin C | methyl 7-ethyl-8-hydrox...)
Show SMILES CCc1c(C)cc2C(=O)C3=C(C(=O)c2c1O)C(OC)(OC3(C)C)C(=O)OC
Show InChI InChI=1S/C20H22O7/c1-7-10-9(2)8-11-12(15(10)21)17(23)14-13(16(11)22)19(3,4)27-20(14,26-6)18(24)25-5/h8,21H,7H2,1-6H3
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140n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


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


(Homo sapiens (human))
BDBM50146461
PNG
(CHEMBL3765807)
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154n/an/an/an/an/an/an/an/a


TBA



Citation and Details
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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161n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


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


(Homo sapiens (human))
BDBM50146460
PNG
(CHEMBL3763688)
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164n/an/an/an/an/an/an/an/a


TBA



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


(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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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...


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


(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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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...


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


(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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210n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of IDO1 (unknown origin)


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


(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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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...


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


(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...


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


(Homo sapiens (human))
BDBM50428068
PNG
(CHEMBL2322655 | Cinnabarinic acid)
Show SMILES Nc1c(C(O)=O)c2nc3c(cccc3oc2cc1=O)C(O)=O
Show InChI InChI=1S/C14H8N2O6/c15-10-6(17)4-8-12(9(10)14(20)21)16-11-5(13(18)19)2-1-3-7(11)22-8/h1-4H,15H2,(H,18,19)(H,20,21)
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326n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus 6X-histidine-tagged indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as inhibition of L-...


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


(Homo sapiens (human))
BDBM50442987
PNG
(8-Bromotryptanthrin | CHEMBL72165)
Show SMILES Brc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7BrN2O2/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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389n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


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


(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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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...


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


(Homo sapiens (human))
BDBM50241708
PNG
(CHEMBL465019 | annulin A)
Show SMILES CCc1c(C)cc2C(=O)C3=C(C(=O)c2c1O)C(O)(OC3(C)C)C(=O)OC
Show InChI InChI=1S/C19H20O7/c1-6-9-8(2)7-10-11(14(9)20)16(22)13-12(15(10)21)18(3,4)26-19(13,24)17(23)25-5/h7,20,24H,6H2,1-5H3
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690n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


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


(Homo sapiens (human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of IDO1


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


(Homo sapiens (human))
BDBM50300312
PNG
(4-amino-1,2,5-oxadiazole-3-carboximidamide | CHEMB...)
Show SMILES Nc1nonc1C(NO)=NCc1ccccc1
Show InChI InChI=1S/C10H11N5O2/c11-9-8(14-17-15-9)10(13-16)12-6-7-4-2-1-3-5-7/h1-5,16H,6H2,(H2,11,15)(H,12,13)
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1.10E+3n/an/an/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...


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


(Homo sapiens (human))
BDBM50241725
PNG
(CHEMBL505049 | garveatin C)
Show SMILES COc1c(C(C)=O)c(C)cc2cc3c(C(=O)C(C)(C)C(=O)C3(C)C)c(O)c12
Show InChI InChI=1S/C22H24O5/c1-10-8-12-9-13-16(19(25)22(5,6)20(26)21(13,3)4)17(24)15(12)18(27-7)14(10)11(2)23/h8-9,24H,1-7H3
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1.20E+3n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


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


(Homo sapiens (human))
BDBM50241710
PNG
(2-hydroxygarveatin E | CHEMBL465021)
Show SMILES Cc1c(O)c2cc3c(C(=O)C(C)(O)C(=O)C3(C)C)c(O)c2c(O)c1C=C
Show InChI InChI=1S/C20H20O6/c1-6-9-8(2)14(21)10-7-11-13(16(23)12(10)15(9)22)17(24)20(5,26)18(25)19(11,3)4/h6-7,21-23,26H,1H2,2-5H3
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1.40E+3n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


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


(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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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...


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


(Homo sapiens (human))
BDBM50241726
PNG
(2-hydroxygarvin A | CHEMBL465623)
Show SMILES CCCc1c(C(=O)OC)c(OC)cc2cc3c(C(=O)C(C)(O)C(=O)C3(C)C)c(O)c12
Show InChI InChI=1S/C23H26O7/c1-7-8-12-15-11(10-14(29-5)16(12)20(26)30-6)9-13-17(18(15)24)19(25)23(4,28)21(27)22(13,2)3/h9-10,24,28H,7-8H2,1-6H3
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2.30E+3n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


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


(Homo sapiens (human))
BDBM50013804
PNG
(10,13-Dimethyl-hexadecahydro-cyclopenta[a]phenanth...)
Show SMILES CCCCc1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,16H,2-3,6H2,1H3
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3.00E+3n/an/an/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis


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


(Homo sapiens (human))
BDBM50241723
PNG
(CHEMBL513118 | garveatin E)
Show SMILES CC1C(=O)c2c(O)c3c(O)c(C=C)c(C)c(O)c3cc2C(C)(C)C1=O
Show InChI InChI=1S/C20H20O5/c1-6-10-8(2)15(21)11-7-12-14(18(24)13(11)17(10)23)16(22)9(3)19(25)20(12,4)5/h6-7,9,21,23-24H,1H2,2-5H3
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3.10E+3n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


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


(Homo sapiens (human))
BDBM50241724
PNG
(CHEMBL505821 | garveatin A)
Show SMILES CC1C(=O)c2c(O)c3c(O)c(C(C)=O)c(C)cc3cc2C(C)(C)C1=O
Show InChI InChI=1S/C20H20O5/c1-8-6-11-7-12-15(16(22)9(2)19(25)20(12,4)5)18(24)14(11)17(23)13(8)10(3)21/h6-7,9,23-24H,1-5H3
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3.20E+3n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


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


(Homo sapiens (human))
BDBM50442993
PNG
(CHEMBL3087012)
Show SMILES O[C@H]1[C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc12
Show InChI InChI=1S/C15H11FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7,13-14,17,19H/t13-,14-/m1/s1
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4.54E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


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


(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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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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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4.81E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Mixed competitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


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


(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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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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM50442988
PNG
(CHEMBL3087009)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(F)cc3c(=O)n-21
Show InChI InChI=1S/C15H6F2N2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6H
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5.48E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


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


(Homo sapiens (human))
BDBM50241727
PNG
((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Show SMILES Cn1cc(C[C@H](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)/t10-/m0/s1
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6.60E+3n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


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


(Homo sapiens (human))
BDBM50241727
PNG
((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Show SMILES Cn1cc(C[C@H](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)/t10-/m0/s1
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7.00E+3n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Competitive inhibition of histidine-tagged human recombinant IDO expressed in bacterial strain BL21 AI using L-Trptophan as substrate measured at 490...


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


(Homo sapiens (human))
BDBM50442992
PNG
(CHEMBL2314972)
Show SMILES O[C@H]1[C@@H]2Nc3ccccc3C(=O)N2c2ccccc12
Show InChI InChI=1S/C15H12N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8,13-14,16,18H/t13-,14-/m1/s1
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8.58E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


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


(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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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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM50442989
PNG
(CHEMBL3087010)
Show SMILES Clc1cccc-2c1C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7ClN2O2/c16-9-5-3-7-11-12(9)13(19)14-17-10-6-2-1-4-8(10)15(20)18(11)14/h1-7H
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9.65E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


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


(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...


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


(Homo sapiens (human))
BDBM36371
PNG
(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Show SMILES CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)
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1.14E+4n/an/an/an/an/an/an/an/a



Colorado College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 (unknown origin)


J Med Chem 58: 8762-82 (2015)

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


(Homo sapiens (human))
BDBM36371
PNG
(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Show SMILES CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)
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1.14E+4n/an/an/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis


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


(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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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...


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


(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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1.20E+4n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of IDO


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


(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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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...


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


(Homo sapiens (human))
BDBM50355862
PNG
(CHEMBL1909734)
Show SMILES Clc1ccccc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3/c9-7-4-2-1-3-6(7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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1.45E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate by Dixon...


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


(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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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...


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


(Homo sapiens (human))
BDBM50355861
PNG
(CHEMBL1909733)
Show SMILES Brc1ccccc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6BrN3/c9-7-4-2-1-3-6(7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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1.80E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate by Dixon...


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


(Homo sapiens (human))
BDBM50241727
PNG
((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Show SMILES Cn1cc(C[C@H](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)/t10-/m0/s1
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1.90E+4n/an/an/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of IDO by cell-free assay


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


(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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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...


Citation and Details
More data for this
Ligand-Target Pair
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