BDBM50438361 CHEMBL2408753

SMILES: COC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1

InChI Key: InChIKey=IMCAMSICSFMGPT-QPPCPWFDSA-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 = 50438361   

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 D (Homo sapiens (Human))	BDBM50438361 (CHEMBL2408753) Show SMILES COC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 |r| Show InChI InChI=1S/C29H40F2N2O4/c1-18(34)33-24(12-20-9-21(30)13-22(31)10-20)26(35)16-32-25-15-29(5,17-36-6)37-27-8-7-19(11-23(25)27)14-28(2,3)4/h7-11,13,24-26,32,35H,12,14-17H2,1-6H3,(H,33,34)/t24-,25-,26+,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair