BDBM50241727 (S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic acid::1-Methyl-Tryptophan::1-methyltryptophan::CHEMBL504816::L-1-methyl-tryptophan

SMILES Cn1cc(C[C@H](N)C(O)=O)c2ccccc12

InChI Key InChIKey=ZADWXFSZEAPBJS-JTQLQIEISA-N

Data  12 KI  26 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 50241727   

TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataKi:  6.60E+3nMAssay Description:Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataKi:  7.00E+3nMAssay Description:Competitive inhibition of histidine-tagged human recombinant IDO expressed in bacterial strain BL21 AI using L-Trptophan as substrate measured at 490...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataKi:  1.90E+4nMAssay Description:Inhibition of IDO by cell-free assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataKi:  3.00E+4nMAssay Description:Inhibition of IDO1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataKi:  3.40E+4nMAssay Description:Competitive inhibition of recombinant human IDO1 expressed in Escherichia coli BL21 cells assessed as apparent inhibition constant using varying conc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataKi:  3.40E+4nMAssay Description:Competitive inhibition of human IDO1 in presence of tryptophanMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataKi:  3.70E+4nMAssay Description:Inhibition of IDOMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataKi:  4.23E+4nMAssay Description:Competitive inhibition of human recombinant IDO1 using L-tryptophan as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataKi:  5.32E+4nMAssay Description:Inhibition of indoleamine 2,3-dioxygenase (unknown origin) in aerobic conditionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 2(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataKi:  3.00E+5nMAssay Description:Inhibition of recombinant human IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynurenine formation using ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 2(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataKi:  4.25E+5nMAssay Description:Competitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of vary...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Tennessee

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataKi:  8.10E+5nMAssay Description:Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  9.00E+4nMAssay Description:Inhibition of human recombinant IDO expressed in HEK293 cells assessed as blockade of tryptophan degradation by HPLCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTryptophan 2,3-dioxygenase(Mus musculus)
Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50: >4.00E+5nMAssay Description:Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Mus musculus)
Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  4.00E+4nMAssay Description:Inhibition of mouse recombinant IDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  7.73E+4nMAssay Description:Inhibition of IFNgamma-induced IDO1 in human HeLa cells using L-tryptophan as substrate after 24 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  3.80E+5nMAssay Description:Inhibition of IDO1 (unknown origin) using L-Trp as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  3.80E+5nMAssay Description:Inhibition of recombinant human IDO1 expressed in Escherichia coli BL21 cells assessed as reduction in conversion of L-tryptophan to N-formyl kynuren...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  1.84E+4nMAssay Description:Inhibition of recombinant human IDO1 expressed in HEK293 cells assessed as reduction in kynurenine formation after 5 hrs by microplate reader analysi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  9.85E+4nMAssay Description:Inhibition of purified recombinant human IDO1 using L-tryptophan substrate incubated fro 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  1.19E+5nMAssay Description:Inhibition of IDO1 in interferon-gamma-induced human HeLa cells using L-tryptophan substrate incubated for 24 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  3.50E+4nMAssay Description:Inhibition of human IDO1 expressed in Escherichia coli BL21 Star assessed as kynurenine formation using L-Trp as substrate preincubated for 90 mins m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  3.50E+4nMAssay Description:Inhibition of human IDO1 expressed in Escherichia coli BL21 Star assessed as kynurenine formation using L-Trp as substrate preincubated for 90 mins m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 2(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  3.50E+4nMAssay Description:Inhibition of human IDO2 expressed in Escherichia coli BL21 Star assessed as kynurenine formation using L-Trp as substrate preincubated for 90 mins m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 2(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  3.50E+4nMAssay Description:Inhibition of human IDO2 expressed in Escherichia coli BL21 Star assessed as kynurenine formation using L-Trp as substrate preincubated for 90 mins m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  4.20E+4nMAssay Description:Inhibition of recombinant human IDO1 expressed in Escherichia coli BL21(DE3) assessed as effect on kynurenine level using L-tryptophan as substrate i...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  1.84E+4nMAssay Description:Inhibition of IDO1 in human HeLa cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  3.85E+5nMAssay Description:Inhibition of N-terminus 6xHis-tagged human IDO1 expressed in Escherichia coli M15 using L-tryptophan as substrate preincubated for 1 hr measured aft...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  78nMAssay Description:Inhibition of N-terminus 6xHis-tagged human IDO1 expressed in Escherichia coli M15 using L-tryptophan as substrate preincubated for 1 hr measured aft...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataEC50:  1.20E+5nMAssay Description:Inhibition of IDO1 in IFNgamma-induced human MDA-MB-231 cells using tryptophan as substrate preincubated for 4 hrs followed by substrate addition for...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  1.84E+4nMAssay Description:Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  4.99E+5nMAssay Description:Competitive inhibition of human recombinant IDO1 using L-tryptophan as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of human IDO1-mediated tryptophan degradation expressed in human tumor cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 2(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  8.25E+4nMAssay Description:Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 2(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  5.69E+4nMAssay Description:Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of His-tagged recombinant human IDO1 expressed in Escherichia coli using tryptophan as substrate by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  1.00E+5nMAssay Description:Inhibition of human IDO activity by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  1.00E+5nMAssay Description:Inhibition of recombinant N-terminal His-tagged human IDO (Ala2 to Gly403) overexpressed in Escherichia coli BL21 AI using L-tryptophan as substrate ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50241727((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Affinity DataIC50:  1.39E+5nMAssay Description:Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed