BDBM50197888 CHEMBL3902967

SMILES: FC(F)(F)c1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1

InChI Key: InChIKey=VXOVYYURZDVSRP-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 = 50197888   

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))	BDBM50197888 (CHEMBL3902967) Show SMILES FC(F)(F)c1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1 Show InChI InChI=1S/C15H14F3N7/c16-15(17,18)10-1-3-11(4-2-10)21-13-22-12(9-19)23-14(24-13)25-7-5-20-6-8-25/h1-4,20H,5-8H2,(H,21,22,23,24)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50197888 (CHEMBL3902967) Show SMILES FC(F)(F)c1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1 Show InChI InChI=1S/C15H14F3N7/c16-15(17,18)10-1-3-11(4-2-10)21-13-22-12(9-19)23-14(24-13)25-7-5-20-6-8-25/h1-4,20H,5-8H2,(H,21,22,23,24)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	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