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

InChI Key InChIKey=TZYWCYJVHRLUCT-VABKMULXSA-N

Data  19 KI  27 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 49 hits for monomerid = 50069985   

TargetProteasome subunit beta type-2(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataKi:  1nMAssay Description:Inhibition of 20S immuno proteosome beta2i subunit (unknown origin) assessed as substrate hydrolysis using Z-Leu-Leu-Leu-al as substrateMore data for this Ligand-Target Pair
TargetProteasome subunit beta type-2(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataKi:  1nMAssay Description:Inhibition of 20s immunoproteasome beta2 trypsin-like activity in human spleen using Boc-Leu-Arg-Arg-AMC as substrate after 10 mins by fluorescence a...More data for this Ligand-Target Pair
TargetProteasome subunit beta type-5(Homo sapiens (Human))
University Of Naples Federico Ii

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
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
TargetProteasome subunit beta type-5(Homo sapiens (Human))
University Of Naples Federico Ii

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataKi:  1.40nMAssay Description:Inhibition of 20S constitutive proteosome beta5c subunit (unknown origin) assessed as substrate hydrolysis using Z-Leu-Leu-Leu-al as substrateMore data for this Ligand-Target Pair
TargetProteasome subunit beta type-5(Homo sapiens (Human))
University Of Naples Federico Ii

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataKi:  3.70nMAssay Description:Inhibition of chymotrypsin-like proteasome activity of human 20S proteasomeMore data for this Ligand-Target Pair
TargetProteasome subunit beta type-5(Homo sapiens (Human))
University Of Naples Federico Ii

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataKi:  4nMAssay Description:Inhibition of 20s constitutive proteasome beta5 chymotrypsin-like activity in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 10 ...More data for this Ligand-Target Pair
TargetProteasome subunit beta type-5(Homo sapiens (Human))
University Of Naples Federico Ii

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataKi:  70nMAssay Description:Inhibition of 20s immunoproteasome beta5 chymotrypsin-like activity in human spleen using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 10 mins by fluor...More data for this Ligand-Target Pair
TargetProteasome subunit beta type-1(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataKi:  130nMAssay Description:Inhibition of 20S immuno proteosome beta1i subunit (unknown origin) assessed as substrate hydrolysis using Z-Leu-Leu-Leu-al as substrateMore data for this Ligand-Target Pair
TargetProteasome subunit beta type-1(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataKi:  130nMAssay Description:Inhibition of 20s immunoproteasome beta1 caspase-like activity in human spleen using Ac-Pro-Ala-Leu-AMC as substrate after 10 mins by fluorescence as...More data for this Ligand-Target Pair
TargetCathepsin B(Homo sapiens (Human))
Whitman College

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataKi:  230nMAssay Description:Inhibition of human liver cathepsin B using Cbz-RR-AMC as substrate by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProteasome subunit beta type-2(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataKi:  330nMAssay Description:Inhibition of trypsin-like proteasome activity of human 20S proteasomeMore data for this Ligand-Target Pair
TargetProteasome subunit beta type-1(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataKi:  470nMAssay Description:Inhibition of post glutamyl peptide hydrolase-like proteasome activity of human 20S proteasomeMore data for this Ligand-Target Pair
TargetCalpain-2 catalytic subunit(Homo sapiens (Human))
Whitman College

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataKi:  653nMAssay Description:Inhibition of m-calpain (unknown origin) using Suc-LY-AMC as substrate by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProteasome subunit beta type-2(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataKi:  5.52E+3nMAssay Description:Inhibition of 20S constitutive proteosome beta2c subunit (unknown origin) assessed as substrate hydrolysis using Z-Leu-Leu-Leu-al as substrateMore data for this Ligand-Target Pair
TargetProteasome subunit beta type-2(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataKi:  5.52E+3nMAssay Description:Inhibition of 20s constitutive proteasome beta2 trypsin-like activity in human erythrocytes using Boc-Leu-Arg-Arg-AMC as substrate after 10 mins by f...More data for this Ligand-Target Pair
TargetProteasome subunit beta type-1(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
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
TargetProteasome subunit beta type-2(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
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
TargetProteasome subunit beta type-1(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataKi:  2.21E+4nMAssay Description:Inhibition of 20S constitutive proteosome beta1c subunit (unknown origin) assessed as substrate hydrolysis using Z-Leu-Leu-Leu-al as substrateMore data for this Ligand-Target Pair
TargetProteasome subunit beta type-1(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataKi:  2.21E+4nMAssay Description:Inhibition of 20s constitutive proteasome beta1 caspase-like activity in human erythrocytes using Z-Leu-Leu-Glu-AMC as substrate after 10 mins by flu...More data for this Ligand-Target Pair
TargetProteasome subunit beta type-5(Homo sapiens (Human))
University Of Naples Federico Ii

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  25nMAssay Description:Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate by fluorometric methodMore data for this Ligand-Target Pair
TargetProteasome subunit beta type-5(Homo sapiens (Human))
University Of Naples Federico Ii

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  9nMAssay Description:Inhibition of chymotrypsin-like activity of proteasome beta-5 subunit in HEK293 cells using Suc-LLVY-Glo as substrate incubated for 2 hrs prior to su...More data for this Ligand-Target Pair
TargetProteasome subunit beta type-2(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  2.10E+3nMAssay Description:Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit assessed as hydrolysis of Boc-LRR-AMC fluorogenic substrate measured for 1...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetNF-kappa-B inhibitor alpha(Homo sapiens (Human))
Columbia University

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataEC50:  5.20E+3nMAssay Description:Induction of human IkappaBalpha stabilization in OCI-Ly3 cells assessed as ratio of green light emiting IkappaBalpha-fused luciferase expression to r...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNF-kappa-B inhibitor alpha(Homo sapiens (Human))
Columbia University

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataEC50:  1.00E+3nMAssay Description:Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-secretase subunit PEN-2(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  2.00E+5nMAssay Description:Inhibition of Amyloid-beta production in APP-transfected cells at level of gamma secretaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  4.50E+3nMAssay Description:Inhibitory concentration to inhibit trypsin-like activity of 20S proteasome from human leukemia HL-60 cells was determinedMore data for this Ligand-Target Pair
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibitory concentration to inhibit the PGPH activity of 20S proteasome prepared from human leukemia HL-60 cells was determinedMore data for this Ligand-Target Pair
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  68nMAssay Description:Inhibitory concentration to inhibit chymotrypsin-like activity of 20S proteasome prepared from human leukemia HL-60 cells was determinedMore data for this Ligand-Target Pair
TargetProteasome subunit beta type-5(Homo sapiens (Human))
University Of Naples Federico Ii

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of chymotrypsin like activity of 26S proteasome beta 5 subunit (unknown origin) by fluorescence assayMore data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  7.35E+3nMAssay Description:Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...More data for this Ligand-Target Pair
In DepthDetails Article
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  4.74E+3nMAssay Description:Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...More data for this Ligand-Target Pair
In DepthDetails Article
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataEC50:  120nMAssay Description:anti-cytopathic effect in a Vero-E6 cell line.More data for this Ligand-Target Pair
In DepthDetails Article
TargetProteasome subunit beta type-5(Homo sapiens (Human))
University Of Naples Federico Ii

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  30nMAssay Description:Inhibition of chymotrypsin-like activity of beta5 subunit of 20S proteasome in human erythrocytes using Suc-LLVY-MCA as substrate preincubated with e...More data for this Ligand-Target Pair
TargetProteasome subunit beta type-2(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of trypsin-like activity of beta2 subunit of 20S proteasome in human erythrocytes using Boc-LRR-MCA as substrate preincubated with enzyme ...More data for this Ligand-Target Pair
TargetProteasome subunit beta type-1(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  500nMAssay Description:Inhibition of caspase-like activity of beta1 subunit of 20S proteasome in human erythrocytes using Z-LLE-MCA as substrate preincubated with enzyme fo...More data for this Ligand-Target Pair
TargetProteasome subunit beta type-1(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  1.45E+3nMAssay Description:Inhibition of 20S proteosome beta 1 purified from human HCT116 cells using Z-LLE-AMC as substrate incubated for 30 to 120 mins by fluorimetryMore data for this Ligand-Target Pair
TargetProteasome subunit beta type-2(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  4.59E+3nMAssay Description:Inhibition of 20S proteosome beta 2 purified from human HCT116 cells using Boc-LRR-AMC as substrate incubated for 30 to 120 mins by fluorimetryMore data for this Ligand-Target Pair
TargetProteasome subunit beta type-5(Homo sapiens (Human))
University Of Naples Federico Ii

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  7nMAssay Description:Inhibition of 20S proteosome beta 5 purified from human HCT116 cells using Suc-LLVY-AMC as substrate incubated for 30 to 120 mins by fluorimetryMore data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50: >1.00E+4nMAssay Description:SARS-CoV-2 3CLpro expression and purification is based on a published procedure and our modified protocol is found in the supplementary file. A highl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  3.90E+3nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  3.90E+3nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProteasome subunit beta type-2(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  52nMAssay Description:Inhibition of trypsin-like activity of 20S human proteasome assessed as Z-LRR-AMC hydrolysis at using Promega proteasome-Glo-3 substrate incubated fo...More data for this Ligand-Target Pair
TargetProteasome subunit beta type-1(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  44nMAssay Description:Inhibition of caspase-like activity of 20S human proteasome assessed as Z-nLPnLD-AMC hydrolysis at using Promega proteasome-Glo-3 substrate incubated...More data for this Ligand-Target Pair
TargetProteasome subunit beta type-5(Homo sapiens (Human))
University Of Naples Federico Ii

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  37nMAssay Description:Inhibition of chymotrypsin-like activity of 20S human proteasome assessed as Suc-LLVY-AMC hydrolysis at using Promega proteasome-Glo-3 substrate incu...More data for this Ligand-Target Pair
TargetProteasome subunit beta type-5(Homo sapiens (Human))
University Of Naples Federico Ii

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  11nMAssay Description:Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogenic substrate mea...More data for this Ligand-Target Pair
TargetProteasome subunit beta type-1(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  600nMAssay Description:Inhibition of postacid activity of 20s proteasome beta-1 subunit in HEK293 cells using Z-nLPnLD-Glo as substrate incubated for 2 hrs prior to substra...More data for this Ligand-Target Pair
TargetProteasome subunit beta type-1(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50069985((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Affinity DataIC50:  120nMAssay Description:Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...More data for this Ligand-Target Pair