BDBM50322348 (R)-Methyl4-(2-(3-((cyclohexylcarbamoyloxy)methyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-1-yl)acetamido)but-2-enoate::CHEMBL1171094

SMILES COC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)NC2CCCCC2)N=C(c2ccccc2)c2ccccc21

InChI Key InChIKey=IPRYOVAALHXMID-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50322348   

TargetCathepsin B(Human)
University of Messina

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50322348BDBM50322348((R)-Methyl4-(2-(3-((cyclohexylcarbamoyloxy)methyl)...)
Affinity DataKi:  1.24E+4nMAssay Description:Inhibition of human cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetProcathepsin L(Human)
University of Messina

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50322348BDBM50322348((R)-Methyl4-(2-(3-((cyclohexylcarbamoyloxy)methyl)...)
Affinity DataKi:  7.65E+4nMAssay Description:Inhibition of human cathepsin LMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetFalcipain 2(malaria parasite P. falciparum)
University of Messina

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50322348BDBM50322348((R)-Methyl4-(2-(3-((cyclohexylcarbamoyloxy)methyl)...)
Affinity DataKi:  8.90E+4nMAssay Description:Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 minMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed