BDBM50321627 CHEMBL1171505::CatS_6::N-(2-chloro-5-(4-(3-(4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propyl)-3-oxo-3,4-dihydropyrazin-2-yl)benzyl)-4-fluorobenzamide

SMILES CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=CN=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl

InChI Key InChIKey=MNEPYBOQUOAGHK-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50321627   

TargetCathepsin S(Human)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50321627(N-(2-chloro-5-(4-(3-(4-(6-chloro-3-methyl-2-oxo-2,...)
Affinity DataIC50: 110nMAssay Description:Inhibition of human cathepsin SMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCathepsin S(Human)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50321627(N-(2-chloro-5-(4-(3-(4-(6-chloro-3-methyl-2-oxo-2,...)
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of cathepsin S-mediated invariant chain degradation in human JY B-cells assessed as accumulation of p10 fragment by Western blot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCathepsin S(Human)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50321627(N-(2-chloro-5-(4-(3-(4-(6-chloro-3-methyl-2-oxo-2,...)
Affinity DataIC50: 110nMAssay Description:D3R2020More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2023
Entry Details
D3R
PDB3D3D Structure (crystal)