BDBM19856 (2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide::CHEMBL184514::JMC463709 (R)-2::piperazine-containing compound, 11

SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1

InChI Key InChIKey=AQPCFTUFFUSBNZ-UHFFFAOYSA-N

Data  4 KI  19 IC50  5 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 19856   

TargetProcathepsin L(Human)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 2.60E+3nM EC50:  320nMpH: 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 Depth
Date in BDB:
1/4/2008
Entry Details Article
PubMed
TargetCathepsin K(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 11nMAssay Description:Inhibitory activity against cathepsin K using humanized rabbit enzymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin S(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 2.01E+3nMAssay Description:Inhibitory activity against cathepsin S from humanMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 3.73E+3nMAssay Description:Inhibitory activity against cathepsin L from humanMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 3.95E+3nMAssay Description:Inhibitory activity against cathepsin B from humanMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin K(Rabbit)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 11nMAssay Description:Inhibitory concentration against humanized rabbit cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin K(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 3nMAssay Description:Inhibitory concentration against human cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin S(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 2.01E+3nMAssay Description:Inhibitory concentration against human cathepsin SMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 3.73E+3nMAssay Description:Inhibitory concentration against human cathepsin LMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 3.95E+3nMAssay Description:Inhibitory concentration against human cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 3.95E+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 Depth
Date in BDB:
1/6/2008
Entry Details Article
PubMed
TargetCathepsin S(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 2.01E+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 Depth
Date in BDB:
1/6/2008
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 3.73E+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 Depth
Date in BDB:
1/6/2008
Entry Details Article
PubMed
TargetCathepsin K(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 3nMpH: 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 Depth
Date in BDB:
1/6/2008
Entry Details Article
PubMed
TargetCathepsin S(Mouse)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 3.41E+4nM EC50:  740nMAssay 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 Depth
Date in BDB:
1/4/2008
Entry Details Article
PubMed
TargetCathepsin K(Rabbit)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 33nM EC50:  149nMpH: 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 Depth
Date in BDB:
1/4/2008
Entry Details Article
PubMed
TargetCathepsin S(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 2.00E+4nM EC50:  1.34E+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 Depth
Date in BDB:
1/4/2008
Entry Details Article
PubMed
TargetCathepsin B(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 8.60E+4nM EC50:  4.40E+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 Depth
Date in BDB:
1/4/2008
Entry Details Article
PubMed
TargetCathepsin K(Rabbit)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataIC50: 7.80nMpH: 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 Depth
Date in BDB:
1/4/2008
Entry Details Article
PubMed
TargetCathepsin K(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataKi:  8nMAssay Description:Inhibition of human cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin S(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataKi:  1.70E+3nMAssay Description:Inhibition of human cathepsin SMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataKi:  3.84E+3nMAssay Description:Inhibition of human cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19856((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Affinity DataKi:  4.64E+3nMAssay Description:Inhibition of human cathepsin LMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed