BDBM50069985 (S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic acid [(S)-1-((S)-1-formyl-3-methyl-butylcarbamoyl)-3-methyl-butyl]-amide::CHEMBL64925::Cbz-L-leu-L-leu-L-leu-CHO::MG-13::MG-132::Z-L-leu-L-leu-L-leu-H::Z-Leu-Leu-Leu-H::Z-Leu-Leu-Leu-al::benzyl (S)-4-methyl-1-((S)-4-methyl-1-((S)-4-methyl-1-oxopentan-2-ylamino)-1-oxopentan-2-ylamino)-1-oxopentan-2-ylcarbamate::benzyl(S)-4-methyl-1-((S)-4-methyl-1-((S)-4-methyl-1-oxopentan-2-ylamino)-1-oxopentan-2-ylamino)-1-oxopentan-2-ylcarbamate::benzyloxycarbonyl-Leu-Leu-leucinal::{(S)-1-[(S)-1-((S)-1-Formyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester::{1-[(S)-(S)-1-((S)-1-Formyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester::{1-[1-(1-Formyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester

SMILES CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

InChI Key InChIKey=TZYWCYJVHRLUCT-UHFFFAOYSA-N

Data  19 KI  33 IC50  3 EC50

PDB links: 4 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 3 hits for monomerid = 50069985   

TargetProteasome subunit beta type-5(Human)
University of Naples Federico Ii

Curated by ChEMBL
LigandPNGBDBM50069985({1-[(S)-(S)-1-((S)-1-Formyl-3-methyl-butylcarbamoy...)
Affinity DataKi:  1.40nMAssay Description:Competitive inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2018
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProteasome subunit beta type-1(Human)
University of Naples Federico Ii

Curated by ChEMBL
LigandPNGBDBM50069985({1-[(S)-(S)-1-((S)-1-Formyl-3-methyl-butylcarbamoy...)
Affinity DataKi:  5.52E+3nMAssay Description:Competitive inhibition of post-glutamyl peptide hydrolyzing activity of human 20S proteasome using Cbz-Leu-Leu-Glu-AMC as substrate measured for 10 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2018
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProteasome subunit beta type-2(Human)
University of Naples Federico Ii

Curated by ChEMBL
LigandPNGBDBM50069985({1-[(S)-(S)-1-((S)-1-Formyl-3-methyl-butylcarbamoy...)
Affinity DataKi:  2.21E+4nMAssay Description:Competitive inhibition of trypsin-like activity of human 20S proteasome using Boc-Leu-Arg-Arg-AMC as substrate measured for 10 mins by fluorescence a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2018
Entry Details Article
PubMedPDB3D3D Structure (crystal)