BDBM50043799 (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid::(R)-tryptophan::CHEMBL292303::D-TRYPTOPHAN

SMILES N[C@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key InChIKey=QIVBCDIJIAJPQS-SECBINFHSA-N

Data  1 KI  2 IC50  1 Kd

PDB links: 97 PDB IDs match this monomer.

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 4 hits for monomerid = 50043799   

TargetDihydrofolate reductase(Homo sapiens (Human))
University of Tennessee

Curated by ChEMBL
LigandPNGBDBM50043799((2R)-2-amino-3-(1H-indol-3-yl)propanoic acid | (R)...)
Show SMILES N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
Affinity DataKi:  8.80E+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
Target2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase(Burkholderia pseudomallei (strain K96243))
Northern Illinois University

Curated by ChEMBL
LigandPNGBDBM50043799((2R)-2-amino-3-(1H-indol-3-yl)propanoic acid | (R)...)
Show SMILES N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
Affinity DataKd: >1.00E+6nMAssay Description:Binding affinity to Burkholderia pseudomallei IspF at pH 7.4 measured by isothermal titration calorimetry methodMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetStromelysin-1(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50043799((2R)-2-amino-3-(1H-indol-3-yl)propanoic acid | (R)...)
Show SMILES N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
Affinity DataIC50: 5.00E+5nMAssay Description:In vitro inhibition of recombinant stromelysin catalytic domain.More data for this Ligand-Target Pair
TargetLarge neutral amino acids transporter small subunit 1(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM50043799((2R)-2-amino-3-(1H-indol-3-yl)propanoic acid | (R)...)
Show SMILES N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
Affinity DataIC50: 3.80E+5nMAssay Description:Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...More data for this Ligand-Target Pair