null

SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O

InChI Key InChIKey=NGBKFLTYGSREKK-ANYOKISRSA-N

  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 29 hits for monomerid = 50073850   

TargetCalpain-1 catalytic subunit(Gallus gallus)
Hoechst Marion Roussel, Inc.

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataKi:  10nMAssay Description:Inhibitory activity against chicken gizzard smooth muscle calpainMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DN4476PubMed
TargetCalpain-1 catalytic subunit(Homo sapiens (Human))
Hoechst Marion Roussel, Inc.

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataKi:  10nMAssay Description:Tested for inhibitory activity against calpain.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2F1907JPubMed
TargetCalpain-1 catalytic subunit(Homo sapiens (Human))
Hoechst Marion Roussel, Inc.

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataKi:  15nMAssay Description:Inhibition of calpain, using human mu-calpain isolated from erythrocytes and Suc-Leu-Tyr-AMC as the fluorogenic substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W0958RPubMed
TargetCalpain-1 catalytic subunit(Homo sapiens (Human))
Hoechst Marion Roussel, Inc.

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataKi:  15nMAssay Description:Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28K78BDPubMed
TargetCalpain-1 catalytic subunit(Homo sapiens (Human))
Hoechst Marion Roussel, Inc.

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataKi:  15.5nMAssay Description:Inhibitory activity against human Calpain 1 isolated from erythrocytesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28P5ZVPPubMed
TargetCathepsin B(Homo sapiens (Human))
Abbott GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataKi:  18nMAssay Description:Inhibition of cathepsin BMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28P5ZVPPubMed
TargetCathepsin B(Homo sapiens (Human))
Abbott GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataKi:  25nMAssay Description:Inhibition of human Cathepsin BMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28K78BDPubMed
TargetProcathepsin L(Homo sapiens (Human))TBA
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 2.5nMAssay Description:pA2 for NK2 receptor of human bladder IM9 cellsMore data for this Ligand-Target Pair
In DepthDetails
TargetCalpain-1 catalytic subunit(Homo sapiens (Human))
Hoechst Marion Roussel, Inc.

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 200nMAssay Description:Inhibition of human erythrocytes mu-calpain after 30 mins by fluorometric assay using pep1 as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KK9CQ4PubMed
TargetCalpain-1 catalytic subunit(Homo sapiens (Human))
Hoechst Marion Roussel, Inc.

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 199nMAssay Description:Inhibition of human erythrocytes mu-calpain by fluorometric assay using pep2 as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KK9CQ4PubMed
TargetCathepsin B(Homo sapiens (Human))
Abbott GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 1.36E+3nMAssay Description:Inhibition of human liver cathepsin B after 30 mins by fluorometric end-point assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KK9CQ4PubMed
TargetProcathepsin L(Homo sapiens (Human))TBA
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of human liver cathepsin L after 30 mins by fluorometric end-point assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KK9CQ4PubMed
TargetPro-cathepsin H(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human liver cathepsin H after 30 mins by fluorometric end-point assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KK9CQ4PubMed
TargetCathepsin D(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human liver cathepsin D after 30 mins by fluorometric end-point assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KK9CQ4PubMed
TargetCalpain-1 catalytic subunit(Homo sapiens (Human))
Hoechst Marion Roussel, Inc.

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 70nMAssay Description:Inhibition of human erythrocytes mu-calpain by spectrofluorimeterMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B27W6HPubMed
TargetCalpain-1 catalytic subunit(Homo sapiens (Human))
Hoechst Marion Roussel, Inc.

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 70nMAssay Description:Inhibition of human erythrocytes mu-calpainMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PK0H2SPubMed
TargetCalpain small subunit 1/1 catalytic subunit(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 40nMAssay Description:Inhibition of Calpain 1 by [3H]-acetyl-casein assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ03R1
TargetProcathepsin L(Homo sapiens (Human))TBA
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 3.10nMAssay Description:Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate preincubated for 30 mins followed by substrate addition and further incubated ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2736VMHPubMed
TargetCalpain-1 catalytic subunit(Homo sapiens (Human))
Hoechst Marion Roussel, Inc.

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 99nMAssay Description:Inhibition of human erythrocytes mu-calpain using Pep1 as substrate incubated for 30 mins under shaking condition in presence of CaCl2 by fluorescenc...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2736VMHPubMed
TargetCathepsin B(Homo sapiens (Human))
Abbott GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 96nMAssay Description:Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate preincubated for 30 mins followed by substrate addition and further incubated fo...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2736VMHPubMed
TargetProcathepsin L(Homo sapiens (Human))TBA
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 2.5nMMore data for this Ligand-Target Pair
In DepthDetails
TargetFalcipain 2B(Plasmodium falciparum)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of Plasmodium falciparum recombinant FP2B fused with maltose binding proteinMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2736RQMPubMed
TargetCathepsin B(Homo sapiens (Human))
Abbott GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:Inhibitory activity against cathepsin BMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N2466PubMed
TargetCalpain-1 catalytic subunit(Homo sapiens (Human))
Hoechst Marion Roussel, Inc.

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay Description:Inhibitory activity of the compound was determined using recombinant human Calpain 1 with Suc-Leu-Tyr-MNA as substrate.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6RJC
TargetCalpain-1 catalytic subunit(Homo sapiens (Human))
Hoechst Marion Roussel, Inc.

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 17nMAssay Description:Inhibitory activity of compound against recombinant human Calpain 1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RN37V7
TargetCalpain-1 catalytic subunit(Homo sapiens (Human))
Hoechst Marion Roussel, Inc.

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 70nMAssay Description:Inhibition of human mu-calpainMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CV4HH3PubMed
TargetCalpain-1 catalytic subunit(Homo sapiens (Human))
Hoechst Marion Roussel, Inc.

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 200nMAssay Description:Inhibitory concentration against human plasma mu-calpainMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z31Z5JPubMed
TargetCalpain-1 catalytic subunit(Homo sapiens (Human))
Hoechst Marion Roussel, Inc.

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 700nMAssay Description:Inhibition of degradation of tyrosine kinase pp60src by Calpain 1 in human plateletsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28P5ZVPPubMed
TargetFalcipain 2(Plasmodium falciparum)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of Plasmodium falciparum recombinant FP2A fused with maltose binding proteinMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2736RQMPubMed