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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 2801   
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))
BDBM24797
PNG
((3S,4S)-4-(benzylamino)-3-hydroxy-2,2-dimethyl-2H,...)
Show SMILES CC1(C)OC2=C([C@H](NCc3ccccc3)[C@@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
Show InChI InChI=1S/C22H21NO4/c1-22(2)21(26)17(23-12-13-8-4-3-5-9-13)16-18(24)14-10-6-7-11-15(14)19(25)20(16)27-22/h3-11,17,21,23,26H,12H2,1-2H3/t17-,21-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



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))
BDBM24802
PNG
((3R,4S)-4-(butylamino)-3-hydroxy-2,2-dimethyl-2H,3...)
Show SMILES CCCCN[C@@H]1[C@@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:12|
Show InChI InChI=1S/C19H23NO4/c1-4-5-10-20-14-13-15(21)11-8-6-7-9-12(11)16(22)17(13)24-19(2,3)18(14)23/h6-9,14,18,20,23H,4-5,10H2,1-3H3/t14-,18+/m0/s1
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n/an/a 82n/an/an/an/an/an/a



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))
BDBM24794
PNG
(9-hydroxy-2,2-dimethyl-2H,5H,10H-benzo[g]chromene-...)
Show SMILES CC1(C)OC2=C(C=C1)C(=O)c1cccc(O)c1C2=O |c:4,6|
Show InChI InChI=1S/C15H12O4/c1-15(2)7-6-9-12(17)8-4-3-5-10(16)11(8)13(18)14(9)19-15/h3-7,16H,1-2H3
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n/an/a 121n/an/an/an/an/an/a



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))
BDBM24801
PNG
((3S,4S)-4-(butylamino)-3-hydroxy-2,2-dimethyl-2H,3...)
Show SMILES CCCCN[C@@H]1[C@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:12|
Show InChI InChI=1S/C19H23NO4/c1-4-5-10-20-14-13-15(21)11-8-6-7-9-12(11)16(22)17(13)24-19(2,3)18(14)23/h6-9,14,18,20,23H,4-5,10H2,1-3H3/t14-,18-/m0/s1
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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))
BDBM24800
PNG
((3R,4S)-3-hydroxy-2,2-dimethyl-4-(prop-2-en-1-ylam...)
Show SMILES CC1(C)OC2=C([C@H](NCC=C)[C@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
Show InChI InChI=1S/C18H19NO4/c1-4-9-19-13-12-14(20)10-7-5-6-8-11(10)15(21)16(12)23-18(2,3)17(13)22/h4-8,13,17,19,22H,1,9H2,2-3H3/t13-,17+/m0/s1
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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))
BDBM24799
PNG
((3S,4S)-3-hydroxy-2,2-dimethyl-4-(prop-2-en-1-ylam...)
Show SMILES CC1(C)OC2=C([C@H](NCC=C)[C@@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
Show InChI InChI=1S/C18H19NO4/c1-4-9-19-13-12-14(20)10-7-5-6-8-11(10)15(21)16(12)23-18(2,3)17(13)22/h4-8,13,17,19,22H,1,9H2,2-3H3/t13-,17-/m0/s1
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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))
BDBM24788
PNG
(6-hydroxy-2,2-dimethyl-2H,5H,10H-benzo[g]chromene-...)
Show SMILES CC1(C)OC2=C(C=C1)C(=O)c1c(O)cccc1C2=O |c:4,6|
Show InChI InChI=1S/C15H12O4/c1-15(2)7-6-9-12(17)11-8(4-3-5-10(11)16)13(18)14(9)19-15/h3-7,16H,1-2H3
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n/an/a 190n/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 |c:4,6|
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 |c:7,9|
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
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24798
PNG
((3R,4S)-4-(benzylamino)-3-hydroxy-2,2-dimethyl-2H,...)
Show SMILES CC1(C)OC2=C([C@H](NCc3ccccc3)[C@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
Show InChI InChI=1S/C22H21NO4/c1-22(2)21(26)17(23-12-13-8-4-3-5-9-13)16-18(24)14-10-6-7-11-15(14)19(25)20(16)27-22/h3-11,17,21,23,26H,12H2,1-2H3/t17-,21+/m0/s1
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n/an/a 252n/an/an/an/an/an/a



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))
BDBM24774
PNG
(2,3-dichloro-1,4-dihydronaphthalene-1,4-dione | 2,...)
Show SMILES ClC1=C(Cl)C(=O)c2ccccc2C1=O |c:1|
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))
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 |r|
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))
BDBM24804
PNG
((3R,4S)-3-hydroxy-2,2-dimethyl-4-(morpholin-4-yl)-...)
Show SMILES CC1(C)OC2=C([C@@H]([C@H]1O)N1CCOCC1)C(=O)c1ccccc1C2=O |r,c:4|
Show InChI InChI=1S/C19H21NO5/c1-19(2)18(23)14(20-7-9-24-10-8-20)13-15(21)11-5-3-4-6-12(11)16(22)17(13)25-19/h3-6,14,18,23H,7-10H2,1-2H3/t14-,18+/m0/s1
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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))
BDBM24811
PNG
((3S,4R)-3-bromo-4-hydroxy-2,2-dimethyl-2H,3H,4H,5H...)
Show SMILES CC1(C)OC2=C([C@@H](O)[C@@H]1Br)C(=O)c1ccccc1C2=O |r,c:4|
Show InChI InChI=1S/C15H13BrO4/c1-15(2)14(16)12(19)9-10(17)7-5-3-4-6-8(7)11(18)13(9)20-15/h3-6,12,14,19H,1-2H3/t12-,14+/m1/s1
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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 |t:2|
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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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))
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 |r,c:1|
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))
BDBM24793
PNG
(8-methoxy-2,2-dimethyl-2H,5H,10H-benzo[g]chromene-...)
Show SMILES COc1ccc2C(=O)C3=C(OC(C)(C)C=C3)C(=O)c2c1 |c:14,t:8|
Show InChI InChI=1S/C16H14O4/c1-16(2)7-6-11-13(17)10-5-4-9(19-3)8-12(10)14(18)15(11)20-16/h4-8H,1-3H3
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n/an/a 933n/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))
BDBM24805
PNG
((3S,4S)-3-hydroxy-4-methoxy-2,2-dimethyl-2H,3H,4H,...)
Show SMILES CO[C@@H]1[C@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:9|
Show InChI InChI=1S/C16H16O5/c1-16(2)15(19)14(20-3)10-11(17)8-6-4-5-7-9(8)12(18)13(10)21-16/h4-7,14-15,19H,1-3H3/t14-,15-/m0/s1
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n/an/a 976n/an/an/an/an/an/a



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 |c:2|
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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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 |c:8|
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))
BDBM24807
PNG
((3S,4S)-4-(benzyloxy)-3-hydroxy-2,2-dimethyl-2H,3H...)
Show SMILES CC1(C)OC2=C([C@H](OCc3ccccc3)[C@@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
Show InChI InChI=1S/C22H20O5/c1-22(2)21(25)20(26-12-13-8-4-3-5-9-13)16-17(23)14-10-6-7-11-15(14)18(24)19(16)27-22/h3-11,20-21,25H,12H2,1-2H3/t20-,21-/m0/s1
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n/an/a 1.09E+3n/an/an/an/an/an/a



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 |t:1|
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))
BDBM24803
PNG
((3S,4S)-3-hydroxy-2,2-dimethyl-4-(morpholin-4-yl)-...)
Show SMILES CC1(C)OC2=C([C@@H]([C@@H]1O)N1CCOCC1)C(=O)c1ccccc1C2=O |r,c:4|
Show InChI InChI=1S/C19H21NO5/c1-19(2)18(23)14(20-7-9-24-10-8-20)13-15(21)11-5-3-4-6-12(11)16(22)17(13)25-19/h3-6,14,18,23H,7-10H2,1-2H3/t14-,18-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



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))
BDBM24812
PNG
((3R,4R)-3,4-dihydroxy-2,2-dimethyl-2H,3H,4H,5H,10H...)
Show SMILES CC1(C)OC2=C([C@@H](O)[C@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
Show InChI InChI=1S/C15H14O5/c1-15(2)14(19)12(18)9-10(16)7-5-3-4-6-8(7)11(17)13(9)20-15/h3-6,12,14,18-19H,1-2H3/t12-,14-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



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))
BDBM24792
PNG
(8-hydroxy-2,2-dimethyl-2H,5H,10H-benzo[g]chromene-...)
Show SMILES CC1(C)OC2=C(C=C1)C(=O)c1ccc(O)cc1C2=O |c:4,6|
Show InChI InChI=1S/C15H12O4/c1-15(2)6-5-10-12(17)9-4-3-8(16)7-11(9)13(18)14(10)19-15/h3-7,16H,1-2H3
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n/an/a 2.05E+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))
BDBM24809
PNG
((3S,4S)-4-(benzylsulfanyl)-3-hydroxy-2,2-dimethyl-...)
Show SMILES CC1(C)OC2=C([C@H](SCc3ccccc3)[C@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
Show InChI InChI=1S/C22H20O4S/c1-22(2)21(25)20(27-12-13-8-4-3-5-9-13)16-17(23)14-10-6-7-11-15(14)18(24)19(16)26-22/h3-11,20-21,25H,12H2,1-2H3/t20-,21+/m0/s1
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n/an/a 2.12E+3n/an/an/an/an/an/a



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))
BDBM24789
PNG
(6-methoxy-2,2-dimethyl-2H,5H,10H-benzo[g]chromene-...)
Show SMILES COc1cccc2C(=O)C3=C(C=CC(C)(C)O3)C(=O)c12 |c:11,t:9|
Show InChI InChI=1S/C16H14O4/c1-16(2)8-7-10-13(17)12-9(14(18)15(10)20-16)5-4-6-11(12)19-3/h4-8H,1-3H3
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n/an/a 2.13E+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))
BDBM24795
PNG
(9-methoxy-2,2-dimethyl-2H,5H,10H-benzo[g]chromene-...)
Show SMILES COc1cccc2C(=O)C3=C(OC(C)(C)C=C3)C(=O)c12 |c:15,t:9|
Show InChI InChI=1S/C16H14O4/c1-16(2)8-7-10-13(17)9-5-4-6-11(19-3)12(9)14(18)15(10)20-16/h4-8H,1-3H3
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n/an/a 2.92E+3n/an/an/an/an/an/a



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))
BDBM24791
PNG
(7-methoxy-2,2-dimethyl-2H,5H,10H-benzo[g]chromene-...)
Show SMILES COc1ccc2C(=O)C3=C(C=CC(C)(C)O3)C(=O)c2c1 |c:10,t:8|
Show InChI InChI=1S/C16H14O4/c1-16(2)7-6-11-13(17)12-8-9(19-3)4-5-10(12)14(18)15(11)20-16/h4-8H,1-3H3
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n/an/a 3.02E+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))
BDBM24808
PNG
((3R,4S)-4-(benzylsulfanyl)-3-hydroxy-2,2-dimethyl-...)
Show SMILES CC1(C)OC2=C([C@H](SCc3ccccc3)[C@@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
Show InChI InChI=1S/C22H20O4S/c1-22(2)21(25)20(27-12-13-8-4-3-5-9-13)16-17(23)14-10-6-7-11-15(14)18(24)19(16)26-22/h3-11,20-21,25H,12H2,1-2H3/t20-,21-/m0/s1
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n/an/a 3.45E+3n/an/an/an/an/an/a



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))
BDBM24806
PNG
((3R,4S)-3-hydroxy-4-methoxy-2,2-dimethyl-2H,3H,4H,...)
Show SMILES CO[C@@H]1[C@@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:9|
Show InChI InChI=1S/C16H16O5/c1-16(2)15(19)14(20-3)10-11(17)8-6-4-5-7-9(8)12(18)13(10)21-16/h4-7,14-15,19H,1-3H3/t14-,15+/m0/s1
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n/an/a 3.96E+3n/an/an/an/an/an/a



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))
BDBM24810
PNG
(2,2-dimethyl-2H,3H,4H,5H,10H-naphtho[2,3-b]pyran-5...)
Show SMILES CC1(C)CCC2=C(O1)C(=O)c1ccccc1C2=O |c:5|
Show InChI InChI=1S/C15H14O3/c1-15(2)8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-15/h3-6H,7-8H2,1-2H3
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n/an/a 4.34E+3n/an/an/an/an/an/a



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))
BDBM24796
PNG
((11S,13S)-14,14-dimethyl-12,15-dioxatetracyclo[8.5...)
Show SMILES CC1(C)OC2=C([C@@H]3O[C@H]13)C(=O)c1ccccc1C2=O |r,c:4|
Show InChI InChI=1S/C15H12O4/c1-15(2)14-13(18-14)9-10(16)7-5-3-4-6-8(7)11(17)12(9)19-15/h3-6,13-14H,1-2H3/t13-,14-/m0/s1
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n/an/a 4.95E+3n/an/an/an/an/an/a



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))
BDBM24790
PNG
(7-hydroxy-2,2-dimethyl-2H,5H,10H-benzo[g]chromene-...)
Show SMILES CC1(C)OC2=C(C=C1)C(=O)c1cc(O)ccc1C2=O |c:4,6|
Show InChI InChI=1S/C15H12O4/c1-15(2)6-5-10-12(17)11-7-8(16)3-4-9(11)13(18)14(10)19-15/h3-7,16H,1-2H3
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n/an/a 5.52E+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 |c:2|
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))
BDBM24780
PNG
(2-methyl-1,4-benzoquinone, 9 | 2-methylcyclohexa-2...)
Show SMILES CC1=CC(=O)C=CC1=O |c:5,t:1|
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 |c:2,6|
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 |w:18.18,c:20|
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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Article
PubMed
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))
BDBM22774
PNG
(1,4-Benzoquinone | Benzil-related compound, 53 | C...)
Show SMILES O=C1C=CC(=O)C=C1 |c:2,6|
Show InChI InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
PDB
MMDB

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KEGG

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antibodypedia
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CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
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