BDBM50529361 CHEMBL4515137::US10988487, Example 52

SMILES OCCNC(=O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O

InChI Key InChIKey=OLPQNOYGDGMZSU-NSHDSACASA-N

Data  10 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50529361   

TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50529361(CHEMBL4515137 | US10988487, Example 52)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of TDO in human SW480 cells incubated for 48 hrs using L-tryptophan as substrate by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 4B1(Homo sapiens)
Merck

Curated by ChEMBL
LigandPNGBDBM50529361(CHEMBL4515137 | US10988487, Example 52)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP450 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Mus musculus)
Merck

Curated by ChEMBL
LigandPNGBDBM50529361(CHEMBL4515137 | US10988487, Example 52)
Affinity DataIC50:  28nMAssay Description:Inhibition of mouse IDO1 preincubated for 30 mins followed by substrate tryptophan addition and measured after 60 mins by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50529361(CHEMBL4515137 | US10988487, Example 52)
Affinity DataIC50:  81nMAssay Description:Inhibition of recombinant His-tagged IDO1 (unknown origin) expressed in Escherichia coli preincubated for 30 mins followed by substrate tryptophan ad...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50529361(CHEMBL4515137 | US10988487, Example 52)
Affinity DataIC50:  249nMAssay Description:Inhibition of IDO1 in human whole blood stimulated with IFNgamma/LPS using L-tryptophan/kynurenine as substrate incubated for 15 mins followed by IFN...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50529361(CHEMBL4515137 | US10988487, Example 52)
Affinity DataIC50:  81nMAssay Description:Inhibition of IDO1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50529361(CHEMBL4515137 | US10988487, Example 52)
Affinity DataEC50: >3.00E+4nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Rattus norvegicus)
Merck

Curated by ChEMBL
LigandPNGBDBM50529361(CHEMBL4515137 | US10988487, Example 52)
Affinity DataIC50:  59nMAssay Description:Inhibition of rat IDO1 preincubated for 30 mins followed by substrate tryptophan addition and measured after 60 mins by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50529361(CHEMBL4515137 | US10988487, Example 52)
Affinity DataIC50:  49nMAssay Description:Inhibition of IDO1 in human HeLa cells stimulated with IFNgamma using L-tryptophan as substrate incubated for 48 hrs by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50529361(CHEMBL4515137 | US10988487, Example 52)
Affinity DataIC50:  65.3nMAssay Description:HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50529361(CHEMBL4515137 | US10988487, Example 52)
Affinity DataIC50:  26nMAssay Description:Inhibition of IDO1 in human whole blood stimulated with IFNgamma/LPS assessed as unbound potency using L-tryptophan/kynurenine as substrate incubated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed