BDBM50237037 CHEMBL4101829

SMILES: Fc1cnc(nc1N(CCc1cccc(Br)c1)Cc1ccc2OCOc2c1)C#N

InChI Key: InChIKey=RFXCAFREGMEYAN-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 = 50237037   

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))	BDBM50237037 (CHEMBL4101829) Show SMILES Fc1cnc(nc1N(CCc1cccc(Br)c1)Cc1ccc2OCOc2c1)C#N Show InChI InChI=1S/C21H16BrFN4O2/c22-16-3-1-2-14(8-16)6-7-27(21-17(23)11-25-20(10-24)26-21)12-15-4-5-18-19(9-15)29-13-28-18/h1-5,8-9,11H,6-7,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	358	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