Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 684.6 BDBM3120

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))	BDBM3120 (US8524710, 57) Show SMILES CC(CNC(=O)c1cnc(nc1N1CC[C@@H](C1)S(=O)(=O)c1ccc(cc1Cl)N1CCN(CC1)C(C)(C)C)C#N)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H39Cl2N7O3S/c1-22(23-5-7-24(34)8-6-23)19-38-32(43)27-20-37-30(18-36)39-31(27)41-12-11-26(21-41)46(44,45)29-10-9-25(17-28(29)35)40-13-15-42(16-14-40)33(2,3)4/h5-10,17,20,22,26H,11-16,19,21H2,1-4H3,(H,38,43)/t22?,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8524710 (2013) BindingDB Entry DOI: 10.7270/Q2Z31X8G
					More data for this Ligand-Target Pair