BDBM50237029 CHEMBL4097098

SMILES: Fc1cnc(nc1N(Cc1ccc2OCOc2c1)C1CCSCC1)C#N

InChI Key: InChIKey=MCTSXCSZMIIZOY-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50237029   

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
Procathepsin L (Homo sapiens (Human))	BDBM50237029 (CHEMBL4097098) Show SMILES Fc1cnc(nc1N(Cc1ccc2OCOc2c1)C1CCSCC1)C#N Show InChI InChI=1S/C18H17FN4O2S/c19-14-9-21-17(8-20)22-18(14)23(13-3-5-26-6-4-13)10-12-1-2-15-16(7-12)25-11-24-15/h1-2,7,9,13H,3-6,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	515	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharmaceutical Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis				J Med Chem 60: 2485-2497 (2017) Article DOI: 10.1021/acs.jmedchem.6b01881 BindingDB Entry DOI: 10.7270/Q2PV6NN3
					More data for this Ligand-Target Pair