BDBM50415746 CHEMBL1087814

SMILES: CCCC[C@H](NC(=O)O[C@@H]1CN(CC1(C)C)C(=O)c1ccc2ccccc2c1)C(=O)C(=O)N[C@H](C)c1ccccc1

InChI Key: InChIKey=IHQXGIQGJKXQOP-KKVCJECGSA-N

Data: 1 IC50

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 = 50415746   

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
Cathepsin K (Homo sapiens (Human))	BDBM50415746 (CHEMBL1087814) Show SMILES CCCC[C@H](NC(=O)O[C@@H]1CN(CC1(C)C)C(=O)c1ccc2ccccc2c1)C(=O)C(=O)N[C@H](C)c1ccccc1 |r| Show InChI InChI=1S/C33H39N3O5/c1-5-6-16-27(29(37)30(38)34-22(2)23-12-8-7-9-13-23)35-32(40)41-28-20-36(21-33(28,3)4)31(39)26-18-17-24-14-10-11-15-25(24)19-26/h7-15,17-19,22,27-28H,5-6,16,20-21H2,1-4H3,(H,34,38)(H,35,40)/t22-,27+,28-/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	1.58	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