BDBM50237012 CHEMBL4082899

SMILES: Fc1cnc(nc1N(CCCc1noc(n1)-c1ccccc1)Cc1ccc2OCOc2c1)C#N

InChI Key: InChIKey=MUQOSRPEFUCBOX-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 = 50237012   

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))	BDBM50237012 (CHEMBL4082899) Show SMILES Fc1cnc(nc1N(CCCc1noc(n1)-c1ccccc1)Cc1ccc2OCOc2c1)C#N Show InChI InChI=1S/C24H19FN6O3/c25-18-13-27-22(12-26)28-23(18)31(14-16-8-9-19-20(11-16)33-15-32-19)10-4-7-21-29-24(34-30-21)17-5-2-1-3-6-17/h1-3,5-6,8-9,11,13H,4,7,10,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	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