BDBM50237018 CHEMBL4074742

SMILES: Cc1nsc(n1)N1CCC(CC1)N(Cc1ccc2OCOc2c1)c1nc(ncc1F)C#N

InChI Key: InChIKey=OZCJONQEVBJISM-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 = 50237018   

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))	BDBM50237018 (CHEMBL4074742) Show SMILES Cc1nsc(n1)N1CCC(CC1)N(Cc1ccc2OCOc2c1)c1nc(ncc1F)C#N Show InChI InChI=1S/C21H20FN7O2S/c1-13-25-21(32-27-13)28-6-4-15(5-7-28)29(20-16(22)10-24-19(9-23)26-20)11-14-2-3-17-18(8-14)31-12-30-17/h2-3,8,10,15H,4-7,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	411	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 Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)				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