BDBM50197892 CHEMBL3949917

SMILES: N#Cc1nc(NCCc2ccccc2)nc(NC2CCCCC2)n1

InChI Key: InChIKey=FKWDMIPLXKTQTC-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50197892   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin S (Homo sapiens (Human))	BDBM50197892 (CHEMBL3949917) Show SMILES N#Cc1nc(NCCc2ccccc2)nc(NC2CCCCC2)n1 Show InChI InChI=1S/C18H22N6/c19-13-16-22-17(20-12-11-14-7-3-1-4-8-14)24-18(23-16)21-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-12H2,(H2,20,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method				Eur J Med Chem 121: 12-20 (2016) Article DOI: 10.1016/j.ejmech.2016.05.009 BindingDB Entry DOI: 10.7270/Q22J6DTR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50197892 (CHEMBL3949917) Show SMILES N#Cc1nc(NCCc2ccccc2)nc(NC2CCCCC2)n1 Show InChI InChI=1S/C18H22N6/c19-13-16-22-17(20-12-11-14-7-3-1-4-8-14)24-18(23-16)21-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-12H2,(H2,20,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method				Eur J Med Chem 121: 12-20 (2016) Article DOI: 10.1016/j.ejmech.2016.05.009 BindingDB Entry DOI: 10.7270/Q22J6DTR
					More data for this Ligand-Target Pair