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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'fung' and Initial = 'sp'   
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


(Mus musculus)
BDBM50444455
PNG
(CHEBI:27924 | Phenylhydrazine)
Show SMILES NNc1ccccc1
Show InChI InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
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n/an/a 200n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs


Bioorg Med Chem 21: 7595-603 (2013)


Article DOI: 10.1016/j.bmc.2013.10.037
BindingDB Entry DOI: 10.7270/Q2377B6F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50444455
PNG
(CHEBI:27924 | Phenylhydrazine)
Show SMILES NNc1ccccc1
Show InChI InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
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n/an/a 250n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 using L-tryptophan as substrate after 1 hr


Bioorg Med Chem 21: 7595-603 (2013)


Article DOI: 10.1016/j.bmc.2013.10.037
BindingDB Entry DOI: 10.7270/Q2377B6F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50444455
PNG
(CHEBI:27924 | Phenylhydrazine)
Show SMILES NNc1ccccc1
Show InChI InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs


Bioorg Med Chem 21: 7595-603 (2013)


Article DOI: 10.1016/j.bmc.2013.10.037
BindingDB Entry DOI: 10.7270/Q2377B6F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50444457
PNG
(CHEMBL3092383)
Show SMILES NNc1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C7H6ClN3S/c8-4-1-2-6-5(3-4)10-7(11-9)12-6/h1-3H,9H2,(H,10,11)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 using L-tryptophan as substrate after 1 hr


Bioorg Med Chem 21: 7595-603 (2013)


Article DOI: 10.1016/j.bmc.2013.10.037
BindingDB Entry DOI: 10.7270/Q2377B6F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50444456
PNG
(2-Hydrazinylbenzo[D]Thiazole | CHEMBL1933308)
Show SMILES NNc1nc2ccccc2s1
Show InChI InChI=1S/C7H7N3S/c8-10-7-9-5-3-1-2-4-6(5)11-7/h1-4H,8H2,(H,9,10)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 using L-tryptophan as substrate after 1 hr


Bioorg Med Chem 21: 7595-603 (2013)


Article DOI: 10.1016/j.bmc.2013.10.037
BindingDB Entry DOI: 10.7270/Q2377B6F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50444456
PNG
(2-Hydrazinylbenzo[D]Thiazole | CHEMBL1933308)
Show SMILES NNc1nc2ccccc2s1
Show InChI InChI=1S/C7H7N3S/c8-10-7-9-5-3-1-2-4-6(5)11-7/h1-4H,8H2,(H,9,10)
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CHEMBL
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n/an/a 5.05E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs


Bioorg Med Chem 21: 7595-603 (2013)


Article DOI: 10.1016/j.bmc.2013.10.037
BindingDB Entry DOI: 10.7270/Q2377B6F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50444456
PNG
(2-Hydrazinylbenzo[D]Thiazole | CHEMBL1933308)
Show SMILES NNc1nc2ccccc2s1
Show InChI InChI=1S/C7H7N3S/c8-10-7-9-5-3-1-2-4-6(5)11-7/h1-4H,8H2,(H,9,10)
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Article
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n/an/a 6.23E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs


Bioorg Med Chem 21: 7595-603 (2013)


Article DOI: 10.1016/j.bmc.2013.10.037
BindingDB Entry DOI: 10.7270/Q2377B6F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50444459
PNG
(2-Mercaptobenzothiazole | 2-Mercaptobenzothioazole...)
Show SMILES Sc1nc2ccccc2s1
Show InChI InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
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n/an/a 1.26E+5n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 using L-tryptophan as substrate after 1 hr


Bioorg Med Chem 21: 7595-603 (2013)


Article DOI: 10.1016/j.bmc.2013.10.037
BindingDB Entry DOI: 10.7270/Q2377B6F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50444458
PNG
(BENZOTHIAZYL DISULFIDE | BI-87F4 | CHEBI:53239)
Show SMILES S(Sc1nc2ccccc2s1)c1nc2ccccc2s1
Show InChI InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 using L-tryptophan as substrate after 1 hr


Bioorg Med Chem 21: 7595-603 (2013)


Article DOI: 10.1016/j.bmc.2013.10.037
BindingDB Entry DOI: 10.7270/Q2377B6F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50335098
PNG
(6-Nitro-benzothiazol-2-ylamine | 6-nitrobenzo[d]th...)
Show SMILES Nc1nc2ccc(cc2s1)[N+]([O-])=O
Show InChI InChI=1S/C7H5N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H,(H2,8,9)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 using L-tryptophan as substrate after 1 hr


Bioorg Med Chem 21: 7595-603 (2013)


Article DOI: 10.1016/j.bmc.2013.10.037
BindingDB Entry DOI: 10.7270/Q2377B6F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50444460
PNG
(Benzo[D]Thiazole | Benzothiazole | CHEBI:45993)
Show SMILES c1nc2ccccc2s1
Show InChI InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
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n/an/a 6.52E+5n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 using L-tryptophan as substrate after 1 hr


Bioorg Med Chem 21: 7595-603 (2013)


Article DOI: 10.1016/j.bmc.2013.10.037
BindingDB Entry DOI: 10.7270/Q2377B6F
More data for this
Ligand-Target Pair