Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 410.5 BDBM50179536

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))	BDBM50179536 (1-(4-isopropylphenoxy)-N-(2-(4-methoxyphenylamino)...) Show SMILES COc1ccc(NCCNC(=O)C2(CCCCC2)Oc2ccc(cc2)C(C)C)cc1 Show InChI InChI=1S/C25H34N2O3/c1-19(2)20-7-11-23(12-8-20)30-25(15-5-4-6-16-25)24(28)27-18-17-26-21-9-13-22(29-3)14-10-21/h7-14,19,26H,4-6,15-18H2,1-3H3,(H,27,28)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Cathepsin K				Bioorg Med Chem Lett 16: 1502-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.053 BindingDB Entry DOI: 10.7270/Q2T154FS
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