BDBM19857 N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-[2-(morpholin-4-yl)-1,3-thiazol-4-yl]benzamide::aryl-morpholino-containing analogue, 12

SMILES O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1csc(n1)N1CCOCC1

InChI Key InChIKey=TYJLGELUBBAGKK-UHFFFAOYSA-N

Data  1 KI  6 IC50  5 EC50

  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 7 hits for monomerid = 19857   

TargetCathepsin K(Oryctolagus cuniculus (rabbit))
Celera Genomics

Curated by ChEMBL
LigandPNGBDBM19857(N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-[2-(mor...)
Affinity DataKi:  2.30nMAssay Description:Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19857(N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-[2-(mor...)
Affinity DataIC50:  2.40E+4nM EC50: >1.00E+4nMpH: 5.5 T: 2°CAssay Description:Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19857(N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-[2-(mor...)
Affinity DataIC50:  4.20E+3nM EC50:  2.90E+3nMpH: 6.0 T: 2°CAssay Description:Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin K(Oryctolagus cuniculus (rabbit))
Celera Genomics

Curated by ChEMBL
LigandPNGBDBM19857(N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-[2-(mor...)
Affinity DataIC50:  9.5nM EC50:  41nMpH: 5.5 T: 2°CAssay Description:Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin S(Mus musculus (Mouse))
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19857(N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-[2-(mor...)
Affinity DataIC50:  8.50E+3nM EC50:  6.70E+3nMAssay Description:Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin K(Oryctolagus cuniculus (rabbit))
Celera Genomics

Curated by ChEMBL
LigandPNGBDBM19857(N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-[2-(mor...)
Affinity DataIC50:  2.30nMpH: 5.5 T: 2°CAssay Description:Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19857(N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-[2-(mor...)
Affinity DataIC50:  2.70E+4nM EC50: >1.00E+4nMpH: 6.5 T: 2°CAssay Description:Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed