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

SMILES: CN1CCN(CC1)CCn2cnc3c2nc(nc3NC4CCCCC4)C#N

InChI Key: InChIKey=OGODDSLNRULSMM-UHFFFAOYSA-N

Data: 6 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 19746   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin K (Human)	BDBM19746 (CHEMBL363847 | Purine lead structure, 1 | 6-(cyclo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
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Procathepsin L (Human)	BDBM19746 (CHEMBL363847 | Purine lead structure, 1 | 6-(cyclo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Cathepsin S (Human)	BDBM19746 (CHEMBL363847 | Purine lead structure, 1 | 6-(cyclo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin K (Human)	BDBM19746 (CHEMBL363847 | Purine lead structure, 1 | 6-(cyclo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Procathepsin L (Human)	BDBM19746 (CHEMBL363847 | Purine lead structure, 1 | 6-(cyclo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin S (Human)	BDBM19746 (CHEMBL363847 | Purine lead structure, 1 | 6-(cyclo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair