BDBM50219348 (2S)-2-amino-4-methylpentanoic acid::(S)-(+)-leucine::(S)-leucine::CHEMBL291962::L-Leucin::L-Leuzin::L-leucine

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

InChI Key InChIKey=ROHFNLRQFUQHCH-YFKPBYRVSA-N

Data  1 KI  5 IC50

PDB links: 84 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 6 hits for monomerid = 50219348   

TargetProton-coupled amino acid transporter 1(Homo sapiens (Human))
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50219348((2S)-2-amino-4-methylpentanoic acid | (S)-(+)-leuc...)
Show SMILES CC(C)C[C@H](N)C(O)=O
Show InChI InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
Affinity DataKi:  1.00E+8nMAssay Description:Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation countingChecked by AuthorMore data for this Ligand-Target Pair
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50219348((2S)-2-amino-4-methylpentanoic acid | (S)-(+)-leuc...)
Show SMILES CC(C)C[C@H](N)C(O)=O
Show InChI InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of TNAP by analogous luminescence assayMore data for this Ligand-Target Pair
TargetLarge neutral amino acids transporter small subunit 1(Homo sapiens (Human))
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50219348((2S)-2-amino-4-methylpentanoic acid | (S)-(+)-leuc...)
Show SMILES CC(C)C[C@H](N)C(O)=O
Show InChI InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
Affinity DataIC50: 8.70E+4nMAssay Description:Inhibition of human LAT1 expressed in HEK293-T-Rex cells assessed as inhibition of [3H]-gabapentin uptake by scintillation counting cis-inhibition as...More data for this Ligand-Target Pair
TargetLarge neutral amino acids transporter small subunit 1(Homo sapiens (Human))
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50219348((2S)-2-amino-4-methylpentanoic acid | (S)-(+)-leuc...)
Show SMILES CC(C)C[C@H](N)C(O)=O
Show InChI InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
Affinity DataIC50: 8.50E+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
TargetPhospholipase A-2-activating protein(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50219348((2S)-2-amino-4-methylpentanoic acid | (S)-(+)-leuc...)
Show SMILES CC(C)C[C@H](N)C(O)=O
Show InChI InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of PLAP by analogous luminescence assayMore data for this Ligand-Target Pair
TargetIntestinal-type alkaline phosphatase(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50219348((2S)-2-amino-4-methylpentanoic acid | (S)-(+)-leuc...)
Show SMILES CC(C)C[C@H](N)C(O)=O
Show InChI InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of IAP by analogous luminescence assayMore data for this Ligand-Target Pair