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Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with all data for entry = 50039013   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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PubMed
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


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303906
PNG
((E)-4-(isopropylimino)-2-methylnaphthalen-1(4H)-on...)
Show SMILES CC(C)N=C1C=C(C)C(=O)c2ccccc12
Show InChI InChI=1S/C14H15NO/c1-9(2)15-13-8-10(3)14(16)12-7-5-4-6-11(12)13/h4-9H,1-3H3
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n/an/a 200n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303904
PNG
((4E,4'E)-4,4'-bis(isopropylimino)-4',4'a-dihydro-2...)
Show SMILES CC(C)Nc1cc(C2=CC(=NC(C)C)c3ccccc3C2=O)c(O)c2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-15(2)27-23-13-21(25(29)19-11-7-5-9-17(19)23)22-14-24(28-16(3)4)18-10-6-8-12-20(18)26(22)30/h5-16,27,29H,1-4H3
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n/an/a 450n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303905
PNG
((4E,4'E)-4,4'-bis(pentan-3-ylimino)-4',4'a-dihydro...)
Show SMILES CCC(CC)Nc1cc(C2=CC(=NC(CC)CC)c3ccccc3C2=O)c(O)c2ccccc12
Show InChI InChI=1S/C30H34N2O2/c1-5-19(6-2)31-27-17-25(29(33)23-15-11-9-13-21(23)27)26-18-28(32-20(7-3)8-4)22-14-10-12-16-24(22)30(26)34/h9-20,31,33H,5-8H2,1-4H3
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n/an/a 520n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant IDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303901
PNG
(1,4-Dihydroxynaphthalene | 1,4-Naphthohydroquinone...)
Show SMILES Oc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303927
PNG
(4-(Benzylamino)-1-naphthol | CHEMBL569096)
Show SMILES Oc1ccc(NCc2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H15NO/c19-17-11-10-16(14-8-4-5-9-15(14)17)18-12-13-6-2-1-3-7-13/h1-11,18-19H,12H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303903
PNG
(4-(Isopropylamino)-1-naphthol | CHEMBL578212)
Show SMILES CC(C)Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C13H15NO/c1-9(2)14-12-7-8-13(15)11-6-4-3-5-10(11)12/h3-9,14-15H,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303930
PNG
(4-(2-(diethylamino)ethylamino)-1-naphthol | CHEMBL...)
Show SMILES CCN(CC)CCNc1ccc(O)c2ccccc12
Show InChI InChI=1S/C16H22N2O/c1-3-18(4-2)12-11-17-15-9-10-16(19)14-8-6-5-7-13(14)15/h5-10,17,19H,3-4,11-12H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303925
PNG
(4-(Pent-3-ylamino)-1-naphthol | CHEMBL571980)
Show SMILES CCC(CC)Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C15H19NO/c1-3-11(4-2)16-14-9-10-15(17)13-8-6-5-7-12(13)14/h5-11,16-17H,3-4H2,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303910
PNG
(4-phenylthiazole-2-thiol | CHEMBL571436)
Show SMILES Sc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in HEK293 cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50303906
PNG
((E)-4-(isopropylimino)-2-methylnaphthalen-1(4H)-on...)
Show SMILES CC(C)N=C1C=C(C)C(=O)c2ccccc12
Show InChI InChI=1S/C14H15NO/c1-9(2)15-13-8-10(3)14(16)12-7-5-4-6-11(12)13/h4-9H,1-3H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant IDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303923
PNG
(4-(tert-butylamino)naphthalen-1-ol | CHEMBL568767)
Show SMILES CC(C)(C)Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C14H17NO/c1-14(2,3)15-12-8-9-13(16)11-7-5-4-6-10(11)12/h4-9,15-16H,1-3H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303922
PNG
(4-(propylamino)naphthalen-1-ol | CHEMBL572064)
Show SMILES CCCNc1ccc(O)c2ccccc12
Show InChI InChI=1S/C13H15NO/c1-2-9-14-12-7-8-13(15)11-6-4-3-5-10(11)12/h3-8,14-15H,2,9H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303929
PNG
(CHEMBL576124 | N-(4-Hydroxy-1-naphthyl)propane-1,3...)
Show SMILES NCCCNc1ccc(O)c2ccccc12
Show InChI InChI=1S/C13H16N2O/c14-8-3-9-15-12-6-7-13(16)11-5-2-1-4-10(11)12/h1-2,4-7,15-16H,3,8-9,14H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM17448
PNG
(1,2,3-triazole analogue, 4 | 5-phenyl-1H-1,2,3-tri...)
Show SMILES c1[nH]nnc1-c1ccccc1
Show InChI InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H,(H,9,10,11)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant IDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM17472
PNG
(1,2,3-triazole analogue, 28 | 4-(1H-1,2,3-triazol-...)
Show SMILES c1[nH]nnc1-c1ccncc1
Show InChI InChI=1S/C7H6N4/c1-3-8-4-2-6(1)7-5-9-11-10-7/h1-5H,(H,9,10,11)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303938
PNG
(4-methoxynaphthalen-1-amine | CHEMBL572058)
Show SMILES COc1ccc(N)c2ccccc12
Show InChI InChI=1S/C11H11NO/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,12H2,1H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM43339
PNG
(4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...)
Show SMILES Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50303906
PNG
((E)-4-(isopropylimino)-2-methylnaphthalen-1(4H)-on...)
Show SMILES CC(C)N=C1C=C(C)C(=O)c2ccccc12
Show InChI InChI=1S/C14H15NO/c1-9(2)15-13-8-10(3)14(16)12-7-5-4-6-11(12)13/h4-9H,1-3H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303907
PNG
(2,3-dihydrobenzo[d]thiazole-2-thiol | CHEMBL570797)
Show SMILES SC1Nc2ccccc2S1
Show InChI InChI=1S/C7H7NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4,7-9H
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n/an/a 7.00E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in HEK293 cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50303901
PNG
(1,4-Dihydroxynaphthalene | 1,4-Naphthohydroquinone...)
Show SMILES Oc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant IDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303901
PNG
(1,4-Dihydroxynaphthalene | 1,4-Naphthohydroquinone...)
Show SMILES Oc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in HEK293 cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50303901
PNG
(1,4-Dihydroxynaphthalene | 1,4-Naphthohydroquinone...)
Show SMILES Oc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303921
PNG
(4-(methylamino)naphthalen-1-ol | CHEMBL571240)
Show SMILES CNc1ccc(O)c2ccccc12
Show InChI InChI=1S/C11H11NO/c1-12-10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,12-13H,1H3
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n/an/a 1.25E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303903
PNG
(4-(Isopropylamino)-1-naphthol | CHEMBL578212)
Show SMILES CC(C)Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C13H15NO/c1-9(2)14-12-7-8-13(15)11-6-4-3-5-10(11)12/h3-9,14-15H,1-2H3
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n/an/a 1.25E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in HEK293 cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303937
PNG
(4-(2-Hydroxyethoxy)-1-naphthol | CHEMBL570066)
Show SMILES OCCOc1ccc(O)c2ccccc12
Show InChI InChI=1S/C12H12O3/c13-7-8-15-12-6-5-11(14)9-3-1-2-4-10(9)12/h1-6,13-14H,7-8H2
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n/an/a 1.25E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303926
PNG
(4-(Cyclohexylamino)-1-naphthol | CHEMBL571437)
Show SMILES Oc1ccc(NC2CCCCC2)c2ccccc12
Show InChI InChI=1S/C16H19NO/c18-16-11-10-15(13-8-4-5-9-14(13)16)17-12-6-2-1-3-7-12/h4-5,8-12,17-18H,1-3,6-7H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303920
PNG
(5-(isopropylamino)quinolin-8-ol | CHEMBL571661)
Show SMILES CC(C)Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C12H14N2O/c1-8(2)14-10-5-6-11(15)12-9(10)4-3-7-13-12/h3-8,14-15H,1-2H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50303903
PNG
(4-(Isopropylamino)-1-naphthol | CHEMBL578212)
Show SMILES CC(C)Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C13H15NO/c1-9(2)14-12-7-8-13(15)11-6-4-3-5-10(11)12/h3-9,14-15H,1-2H3
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n/an/a>1.50E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303902
PNG
(4-(ethylamino)naphthalen-1-ol | CHEMBL577335)
Show SMILES CCNc1ccc(O)c2ccccc12
Show InChI InChI=1S/C12H13NO/c1-2-13-11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,13-14H,2H2,1H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50303907
PNG
(2,3-dihydrobenzo[d]thiazole-2-thiol | CHEMBL570797)
Show SMILES SC1Nc2ccccc2S1
Show InChI InChI=1S/C7H7NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4,7-9H
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n/an/a 2.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant IDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50303910
PNG
(4-phenylthiazole-2-thiol | CHEMBL571436)
Show SMILES Sc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant IDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303904
PNG
((4E,4'E)-4,4'-bis(isopropylimino)-4',4'a-dihydro-2...)
Show SMILES CC(C)Nc1cc(C2=CC(=NC(C)C)c3ccccc3C2=O)c(O)c2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-15(2)27-23-13-21(25(29)19-11-7-5-9-17(19)23)22-14-24(28-16(3)4)18-10-6-8-12-20(18)26(22)30/h5-16,27,29H,1-4H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in HEK293 cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303924
PNG
(4-(isobutylamino)naphthalen-1-ol | CHEMBL571865)
Show SMILES CC(C)CNc1ccc(O)c2ccccc12
Show InChI InChI=1S/C14H17NO/c1-10(2)9-15-13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8,10,15-16H,9H2,1-2H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50303903
PNG
(4-(Isopropylamino)-1-naphthol | CHEMBL578212)
Show SMILES CC(C)Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C13H15NO/c1-9(2)14-12-7-8-13(15)11-6-4-3-5-10(11)12/h3-9,14-15H,1-2H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant IDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
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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n/an/a 4.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant IDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303919
PNG
(5-(ethylamino)quinolin-8-ol | CHEMBL571660)
Show SMILES CCNc1ccc(O)c2ncccc12
Show InChI InChI=1S/C11H12N2O/c1-2-12-9-5-6-10(14)11-8(9)4-3-7-13-11/h3-7,12,14H,2H2,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303928
PNG
(CHEMBL569381 | N-(4-Hydroxy-1-naphthyl)ethane-1,2-...)
Show SMILES NCCNc1ccc(O)c2ccccc12
Show InChI InChI=1S/C12H14N2O/c13-7-8-14-11-5-6-12(15)10-4-2-1-3-9(10)11/h1-6,14-15H,7-8,13H2
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n/an/a 4.40E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303908
PNG
(5-chloro-2,3-dihydrobenzo[d]thiazole-2-thiol | CHE...)
Show SMILES SC1Nc2cc(Cl)ccc2S1
Show InChI InChI=1S/C7H6ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3,7,9-10H
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n/an/a 5.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303907
PNG
(2,3-dihydrobenzo[d]thiazole-2-thiol | CHEMBL570797)
Show SMILES SC1Nc2ccccc2S1
Show InChI InChI=1S/C7H7NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4,7-9H
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n/an/a 5.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50303904
PNG
((4E,4'E)-4,4'-bis(isopropylimino)-4',4'a-dihydro-2...)
Show SMILES CC(C)Nc1cc(C2=CC(=NC(C)C)c3ccccc3C2=O)c(O)c2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-15(2)27-23-13-21(25(29)19-11-7-5-9-17(19)23)22-14-24(28-16(3)4)18-10-6-8-12-20(18)26(22)30/h5-16,27,29H,1-4H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant IDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303906
PNG
((E)-4-(isopropylimino)-2-methylnaphthalen-1(4H)-on...)
Show SMILES CC(C)N=C1C=C(C)C(=O)c2ccccc12
Show InChI InChI=1S/C14H15NO/c1-9(2)15-13-8-10(3)14(16)12-7-5-4-6-11(12)13/h4-9H,1-3H3
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Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in HEK293 cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50303904
PNG
((4E,4'E)-4,4'-bis(isopropylimino)-4',4'a-dihydro-2...)
Show SMILES CC(C)Nc1cc(C2=CC(=NC(C)C)c3ccccc3C2=O)c(O)c2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-15(2)27-23-13-21(25(29)19-11-7-5-9-17(19)23)22-14-24(28-16(3)4)18-10-6-8-12-20(18)26(22)30/h5-16,27,29H,1-4H3
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Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50303902
PNG
(4-(ethylamino)naphthalen-1-ol | CHEMBL577335)
Show SMILES CCNc1ccc(O)c2ccccc12
Show InChI InChI=1S/C12H13NO/c1-2-13-11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,13-14H,2H2,1H3
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Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50303902
PNG
(4-(ethylamino)naphthalen-1-ol | CHEMBL577335)
Show SMILES CCNc1ccc(O)c2ccccc12
Show InChI InChI=1S/C12H13NO/c1-2-13-11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,13-14H,2H2,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant IDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303909
PNG
(1-(2,3-dihydrobenzo[d]thiazol-2-ylthio)-N,N-dimeth...)
Show SMILES CN(C)CSC1Nc2ccccc2S1
Show InChI InChI=1S/C10H14N2S2/c1-12(2)7-13-10-11-8-5-3-4-6-9(8)14-10/h3-6,10-11H,7H2,1-2H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50303910
PNG
(4-phenylthiazole-2-thiol | CHEMBL571436)
Show SMILES Sc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
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