Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 745.7 BDBM586571

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin S (Homo sapiens (Human))	BDBM586571 (CatS_89) Show SMILES NC(=O)C(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)c(c1)C(=O)N[C@@H](CO)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description D3R2020				Citation and Details BindingDB Entry DOI: 10.7270/Q2J96B77
					More data for this Ligand-Target Pair