BDBM18073 (2S)-2-amino-3-phenylpropanoic acid::CHEMBL301523::L-[2,3,4,5,6-3H]phenylalanine::L-phenylalanine::Phenylalanine::US11021454, Compound L-phe

SMILES N[C@@H](Cc1ccccc1)C(O)=O

InChI Key InChIKey=COLNVLDHVKWLRT-QMMMGPOBSA-N

Data  2 KI  16 IC50  2 ITC

PDB links: 42 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 18 hits for monomerid = 18073   

TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Mus musculus)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataKi:  980nMAssay Description:Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLarge neutral amino acids transporter small subunit 1(Rattus norvegicus)
University Of Kentucky

Curated by ChEMBL
LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataKi:  5.50E+4nMAssay Description:Inhibition of LAT1-mediated L-[14C]-leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntestinal-type alkaline phosphatase(Bos taurus (Cattle))
Comsats Institute Of Information Technology

LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataIC50:  8.02E+4nMpH: 9.8 T: 2°CAssay Description:Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntestinal-type alkaline phosphatase(Bos taurus (Cattle))
Comsats Institute Of Information Technology

LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataIC50:  8.02E+4nMAssay Description:Inhibition of calf intestinal alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectrophotometric...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhospholipase A-2-activating protein(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of PLAP by analogous luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of TNAP by analogous luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntestinal-type alkaline phosphatase(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of IAP by analogous luminescence assayMore data for this Ligand-Target Pair
TargetIntestinal-type alkaline phosphatase(Bos taurus (Cattle))
Comsats Institute Of Information Technology

LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataIC50:  8.02E+4nMAssay Description:Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataIC50:  1.00E+5nMAssay Description:Inhibition of human TNAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntestinal-type alkaline phosphatase(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataIC50:  8.02E+4nMAssay Description:Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...More data for this Ligand-Target Pair
TargetLarge neutral amino acids transporter small subunit 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataIC50:  6.90E+4nMAssay 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
In DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Quaid-I-Azam University

Curated by ChEMBL
LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataIC50:  8.02E+4nMAssay Description:Inhibition of human IAP expressed in COS7 cells using CDP-star as substrate preincubated for 5 to 10 mins followed by substrate addition measured aft...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of human TNAP expressed in African green monkey COS7 cell membranes using CDP-star as substrate pretreated for 5 to 10 mins followed by su...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntestinal-type alkaline phosphatase(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataIC50:  1.00E+5nMAssay Description:Inhibition of human IAP expressed in African green monkey COS7 cell membranes using CDP-star as substrate pretreated for 5 to 10 mins followed by sub...More data for this Ligand-Target Pair
TargetLarge neutral amino acids transporter small subunit 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataIC50:  6.90E+4nMAssay Description:Cis-inhibition of human LAT1 expressed in TREx HEK293 cells assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC follo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetXanthine dehydrogenase/oxidase(Homo sapiens (Human))
China Pharmaceutical University

US Patent
LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataIC50: >6.00E+4nMAssay Description:11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetIntestinal-type alkaline phosphatase(Bos taurus (Cattle))
Comsats Institute Of Information Technology

LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataIC50:  8.02E+4nMpH: 9.8 T: 2°CAssay Description:The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Bos taurus (Cattle))
University Of Karachi

LigandPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Affinity DataIC50:  8.02E+4nMpH: 9.8 T: 2°CAssay Description:Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 18073   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
ITC DataΔG°: -0.717kcal/mole −TΔS°: 2.14kcal/mole ΔH°: -2.87kcal/mole logk: 3
pH: 5.01 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
ITC DataΔG°: -1.24kcal/mole −TΔS°: 1.64kcal/mole ΔH°: -2.87kcal/mole logk: 8
pH: 5.01 T: 25.00°C 
In DepthDetails Article