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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 1 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))
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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Article
PubMed
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


(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


(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
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))
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))
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 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 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))
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>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 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))
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 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))
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 7.00E+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
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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n/an/a 9.00E+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