BDBM50121554 CHEMBL356155::N-{1-[(Benzyloxymethyl-cyano-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-isonicotinamide

SMILES O=C(N[C@@H](COCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)c1ccncc1

InChI Key InChIKey=NCYCUZLVAKSGIR-PKTZIBPZSA-N

Data  1 IC50  1 Kd

  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 2 hits for monomerid = 50121554   

TargetCathepsin S(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50121554(CHEMBL356155 | N-{1-[(Benzyloxymethyl-cyano-methyl...)
Affinity DataIC50:  6nMAssay Description:Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirusMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50121554(CHEMBL356155 | N-{1-[(Benzyloxymethyl-cyano-methyl...)
Affinity DataKd:  0.700nMAssay Description:Equilibrium dissocation constant determined using fluorescence based competitive binding assay towards Cathepsin SMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed