BDBM19855 Balicatib::CHEMBL371064::N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)::N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-(4-propylpiperazin-1-yl)benzamide::basic piperazine-containing compound, 10

SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N

InChI Key InChIKey=LLCRBOWRJOUJAE-UHFFFAOYSA-N

Data  8 KI  15 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 23 hits for monomerid = 19855   

TargetCathepsin D(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataKi:  1.30nMAssay Description:Inhibition of human cathepsin K using Z-Leu-Arg-AMC fluorogenic substrate incubated for 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin K(Oryctolagus cuniculus (rabbit))
Celera Genomics

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataKi:  1.40nMAssay Description:Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin K(Homo sapiens (Human))
National Institute Of Chemistry

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataKi:  1.40nMAssay Description:Inhibition of human cathepsin-K using Z-Gly-Pro-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
National Institute Of Chemistry

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataKi:  503nMAssay Description:Inhibition of human cathepsin-L using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
National Institute Of Chemistry

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataKi:  3.26E+3nMAssay Description:Inhibition of human cathepsin L using Z-Phe-Arg-pNA chromogenic substrate fluorogenic substrate incubated for 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataKi:  3.80E+3nMAssay Description:Inhibition of human cathepsin B using Z-Arg-Arg-pNA chromogenic substrate fluorogenic substrate incubated for 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataKi:  3.01E+4nMAssay Description:Inhibition of human cathepsin S using Z-Phe-Arg-AMC fluorogenic substrate fluorogenic substrate incubated for 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataKi:  6.50E+4nMAssay Description:Inhibition of human cathepsin-S using Z-Phe-Val-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataIC50:  4.75E+3nMAssay Description:Inhibition of human recombinant CatB assessed as suppression of enzyme-mediated Z-Arg-Arg-AMC cleavage by QFRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataIC50:  2.90E+3nMAssay Description:Inhibition of cathepsin S in human ramos cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
National Institute Of Chemistry

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataIC50:  48nMAssay Description:Inhibition of cathepsin L in human HepG2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin K(Oryctolagus cuniculus (rabbit))
Celera Genomics

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataIC50:  2.70nMAssay Description:Inhibition of rabbit cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin K(Homo sapiens (Human))
National Institute Of Chemistry

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of human cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataIC50:  61nMAssay Description:Inhibition of cathepsin B in human HepG2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin K(Homo sapiens (Human))
National Institute Of Chemistry

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataIC50:  5nMAssay Description:Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin K(Homo sapiens (Human))
National Institute Of Chemistry

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataIC50:  5nMAssay Description:Inhibition of cathepsin-kMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin K(Homo sapiens (Human))
National Institute Of Chemistry

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin S(Mus musculus (Mouse))
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataIC50:  6.35E+3nM EC50:  480nMAssay 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
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataIC50:  2.70nM EC50:  97nMpH: 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))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataIC50:  6.50E+4nM EC50:  2.90E+3nMpH: 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
TargetCathepsin B(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataIC50:  4.80E+3nM EC50:  61nMpH: 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
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataIC50:  1.40nMpH: 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
TargetProcathepsin L(Homo sapiens (Human))
National Institute Of Chemistry

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataIC50:  503nM EC50:  48nMpH: 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