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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM50514753'   
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)
BDBM50514753
PNG
(CHEMBL4557994)
Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1
Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)
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UniChem
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PubMed
n/an/a 13n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 transfected in P815 cells assessed as reduction in L-Kyn level measured after 16 hrs by HPLC analysis


J Med Chem 63: 3047-3065 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01809
BindingDB Entry DOI: 10.7270/Q29K4FKS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50514753
PNG
(CHEMBL4557994)
Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1
Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)
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UniChem
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n/an/a 14n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human LXF-289 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis


J Med Chem 63: 3047-3065 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01809
BindingDB Entry DOI: 10.7270/Q29K4FKS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50514753
PNG
(CHEMBL4557994)
Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1
Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)
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n/an/a 16n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis


J Med Chem 63: 3047-3065 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01809
BindingDB Entry DOI: 10.7270/Q29K4FKS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50514753
PNG
(CHEMBL4557994)
Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1
Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)
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n/an/a 21n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human MCF7 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis


J Med Chem 63: 3047-3065 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01809
BindingDB Entry DOI: 10.7270/Q29K4FKS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50514753
PNG
(CHEMBL4557994)
Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1
Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)
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PC sid
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n/an/a 43n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HepG2 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis


J Med Chem 63: 3047-3065 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01809
BindingDB Entry DOI: 10.7270/Q29K4FKS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50514753
PNG
(CHEMBL4557994)
Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1
Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)
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PC cid
PC sid
UniChem
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n/an/a 64n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis


J Med Chem 63: 3047-3065 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01809
BindingDB Entry DOI: 10.7270/Q29K4FKS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50514753
PNG
(CHEMBL4557994)
Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1
Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)
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PC sid
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n/an/a 605n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human DAN-G cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis


J Med Chem 63: 3047-3065 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01809
BindingDB Entry DOI: 10.7270/Q29K4FKS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50514753
PNG
(CHEMBL4557994)
Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1
Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)
PDB
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PC sid
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n/an/an/a 550n/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Binding affinity to NT650-NHS fluorophore-labeled recombinant human N-terminal His-tagged IDO1 expressed in Escherichia coli measured after 10 mins b...


J Med Chem 63: 3047-3065 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01809
BindingDB Entry DOI: 10.7270/Q29K4FKS
More data for this
Ligand-Target Pair