BDBM50318879 CHEMBL607169::N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl)-4-methyl-1-oxopentan-2-yl)-4-tert-butylbenzamide::N-[1-((S)-(S)-4-Benzoyl-6-(S)-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carbonyl)-3-methyl-butyl]-4-tert-butyl-benzamide

SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1CC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1

InChI Key InChIKey=UDPRWQLZVHVIPZ-GSLIJJQTSA-N

Data  5 KI

  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 5 hits for monomerid = 50318879   

TargetCathepsin K(Homo sapiens (Human))
Amura Therapeutics

Curated by ChEMBL
LigandPNGBDBM50318879(CHEMBL607169 | N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...)
Affinity DataKi:  10nMAssay Description:Binding affinity against human cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin K(Homo sapiens (Human))
Amura Therapeutics

Curated by ChEMBL
LigandPNGBDBM50318879(CHEMBL607169 | N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...)
Affinity DataKi:  10.1nMAssay Description:Inhibition of cathepsin K at enzyme-substrate complex stateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
Amura Therapeutics

Curated by ChEMBL
LigandPNGBDBM50318879(CHEMBL607169 | N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...)
Affinity DataKi:  173nMAssay Description:Binding affinity against cruzaineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteine proteinase B(Leishmania mexicana)
Amura Therapeutics

Curated by ChEMBL
LigandPNGBDBM50318879(CHEMBL607169 | N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...)
Affinity DataKi:  691nMAssay Description:Binding affinity against Leishmania mexicana cysteine peptidase B (CPB)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
Amura Therapeutics

Curated by ChEMBL
LigandPNGBDBM50318879(CHEMBL607169 | N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...)
Affinity DataKi: >4.50E+3nMAssay Description:Binding affinity against cathepsin SMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed