BDBM16510 (2S,3S)-3-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acid::(2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid::(2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid::(2S,3S)-3-[[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid::(2S,3S)-3-{[(1S)-3-methyl-1-[(3-methylbutyl)carbamoyl]butyl]carbamoyl}oxirane-2-carboxylic acid::CHEMBL418661::E-64C::HO-tES-Leu-NH-CH2-CH2CH(CH3)2::MLS000028693::SMR000058872::cid_123664::epoxysuccinyl derivative E64c

SMILES CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(O)=O

InChI Key InChIKey=SCMSYZJDIQPSDI-SRVKXCTJSA-N

Data  2 KI  4 IC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 16510   

TargetCathepsin B(Human)
National Chemical Laboratory (Csir-Ncl)

Curated by ChEMBL
LigandPNGBDBM16510((2S,3S)-3-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-but...)
Affinity DataKi:  3.36nMAssay Description:Inhibition of cathepsin BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetPapain(Papaya)
University of Wisconsin

Curated by ChEMBL
LigandPNGBDBM16510((2S,3S)-3-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-but...)
Affinity DataKi:  2.40E+3nMpH: 6.8Assay Description:Kinetic constant Apparent binding constant (Ki`) for the inhibition of papain conducted in 0.1 M phosphate, pH 6.8, at 30 degree CMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetProcathepsin L(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM16510((2S,3S)-3-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-but...)
Affinity DataIC50: <1.63nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetCathepsin B(Human)
National Chemical Laboratory (Csir-Ncl)

Curated by ChEMBL
LigandPNGBDBM16510((2S,3S)-3-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-but...)
Affinity DataIC50:  1.53nMpH: 6.8 T: 23°CAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssayPDB3D3D Structure (crystal)

TargetCathepsin B(Bovine)
Osaka University of Pharmaceutical Sciences

LigandPNGBDBM16510((2S,3S)-3-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-but...)
Affinity DataIC50:  40nMpH: 6.0 T: 40°CAssay Description:Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetProcathepsin L(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM16510((2S,3S)-3-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-but...)
Affinity DataIC50:  3.61nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay