BDBM19746 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)ethyl]-9H-purine-2-carbonitrile::CHEMBL363847::NVP-ABE854::Purine lead structure, 1

SMILES CN1CCN(CCn2cnc3c(NC4CCCCC4)nc(nc23)C#N)CC1

InChI Key InChIKey=OGODDSLNRULSMM-UHFFFAOYSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 19746   

TargetCathepsin K(Human)
Novartis Pharmaceuticals

LigandPNGBDBM19746(6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)e...)
Affinity DataIC50:  6nMAssay Description:The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetProcathepsin L(Human)
Novartis Pharmaceuticals

LigandPNGBDBM19746(6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)e...)
Affinity DataIC50:  89nMAssay Description:The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin S(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM19746(6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)e...)
Affinity DataIC50:  150nMAssay Description:Inhibitory concentration against recombinant human cathepsin S by using Z-Leu-Leu-Arg-AMC as synthetic substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin K(Human)
Novartis Pharmaceuticals

LigandPNGBDBM19746(6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)e...)
Affinity DataIC50:  6nMAssay Description:Inhibitory concentration against recombinant human cathepsin K by using Z-Phe-Arg-AMC as synthetic substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetProcathepsin L(Human)
Novartis Pharmaceuticals

LigandPNGBDBM19746(6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)e...)
Affinity DataIC50:  89nMAssay Description:Inhibitory concentration against recombinant human cathepsin L by using Z-Phe-Arg-AMC as synthetic substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin S(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM19746(6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)e...)
Affinity DataIC50:  150nMAssay Description:The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed