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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM50303910'   
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))
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)
PDB
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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 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 1


(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 2.40E+4n/an/an/an/an/an/a



NAMEDIC-NARILIS, University of Namur, 61 Rue de Bruxelles, 5000 Namur, Belgium; Laboratory of Organic Synthesis and Heterocyclic Chemistry, Department of Chemistry, College of Sciences at Tunis, El M

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 pre-incubated for 10 mins before L-Trp as substrate addition and measured after 30 mins by colorimetry


Bioorg Med Chem Lett 27: 3607-3610 (2017)


Article DOI: 10.1016/j.bmcl.2016.06.052
BindingDB Entry DOI: 10.7270/Q2F1925G
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(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)
PDB
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Article
PubMed
n/an/a 2.44E+4n/an/an/an/an/an/a



NAMEDIC-NARILIS, University of Namur, 61 Rue de Bruxelles, 5000 Namur, Belgium; Laboratory of Organic Synthesis and Heterocyclic Chemistry, Department of Chemistry, College of Sciences at Tunis, El M

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 pre-incubated for 10 mins before L-Trp as substrate addition and measured after 30 mins by colorimetry


Bioorg Med Chem Lett 27: 3607-3610 (2017)


Article DOI: 10.1016/j.bmcl.2016.06.052
BindingDB Entry DOI: 10.7270/Q2F1925G
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(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)
PDB
MMDB

Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
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