BDBM50114049 CHEMBL3605411

SMILES: FC(F)(F)C(=O)Nc1cc(Cl)ccc1C(=O)NC1(CCCCC1)C(=O)NCC#N

InChI Key: InChIKey=VQEAZMDLMHWDFY-UHFFFAOYSA-N

Data: 2 KI

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 = 50114049   

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))	BDBM50114049 (CHEMBL3605411) Show SMILES FC(F)(F)C(=O)Nc1cc(Cl)ccc1C(=O)NC1(CCCCC1)C(=O)NCC#N Show InChI InChI=1S/C18H18ClF3N4O3/c19-11-4-5-12(13(10-11)25-16(29)18(20,21)22)14(27)26-17(6-2-1-3-7-17)15(28)24-9-8-23/h4-5,10H,1-3,6-7,9H2,(H,24,28)(H,25,29)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of human cathepsin-K using Z-Gly-Pro-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assay				J Med Chem 58: 6928-37 (2015) BindingDB Entry DOI: 10.7270/Q2BK1F44
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50114049 (CHEMBL3605411) Show SMILES FC(F)(F)C(=O)Nc1cc(Cl)ccc1C(=O)NC1(CCCCC1)C(=O)NCC#N Show InChI InChI=1S/C18H18ClF3N4O3/c19-11-4-5-12(13(10-11)25-16(29)18(20,21)22)14(27)26-17(6-2-1-3-7-17)15(28)24-9-8-23/h4-5,10H,1-3,6-7,9H2,(H,24,28)(H,25,29)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of human cathepsin-L using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assay				J Med Chem 58: 6928-37 (2015) BindingDB Entry DOI: 10.7270/Q2BK1F44
					More data for this Ligand-Target Pair