BDBM50197889 CHEMBL3922171

SMILES: Cc1cccc(CNc2nc(NC3CCCCC3)nc(n2)C#N)c1

InChI Key: InChIKey=ROYHQNKYCLIWRK-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 = 50197889   

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 K (Homo sapiens (Human))	BDBM50197889 (CHEMBL3922171) Show SMILES Cc1cccc(CNc2nc(NC3CCCCC3)nc(n2)C#N)c1 Show InChI InChI=1S/C18H22N6/c1-13-6-5-7-14(10-13)12-20-17-22-16(11-19)23-18(24-17)21-15-8-3-2-4-9-15/h5-7,10,15H,2-4,8-9,12H2,1H3,(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	60	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
Cathepsin S (Homo sapiens (Human))	BDBM50197889 (CHEMBL3922171) Show SMILES Cc1cccc(CNc2nc(NC3CCCCC3)nc(n2)C#N)c1 Show InChI InChI=1S/C18H22N6/c1-13-6-5-7-14(10-13)12-20-17-22-16(11-19)23-18(24-17)21-15-8-3-2-4-9-15/h5-7,10,15H,2-4,8-9,12H2,1H3,(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