Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 599.7 BDBM50415750

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 K (Homo sapiens (Human))	BDBM50415750 (CHEMBL1077003) Show SMILES CCCC[C@H](NC(=O)O[C@@H]1CN(CC1(C)C)C(=O)Oc1ccc(cc1)-c1ccccc1)C(=O)C(=O)N[C@H](C)c1ccccc1 |r| Show InChI InChI=1S/C35H41N3O6/c1-5-6-17-29(31(39)32(40)36-24(2)25-13-9-7-10-14-25)37-33(41)44-30-22-38(23-35(30,3)4)34(42)43-28-20-18-27(19-21-28)26-15-11-8-12-16-26/h7-16,18-21,24,29-30H,5-6,17,22-23H2,1-4H3,(H,36,40)(H,37,41)/t24-,29+,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Eur J Med Chem 45: 667-81 (2010) Article DOI: 10.1016/j.ejmech.2009.11.010 BindingDB Entry DOI: 10.7270/Q29C6ZP1
					More data for this Ligand-Target Pair