BDBM232282 US9345742, 40

SMILES: CCc1cccc(CC)c1NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCCc1ccccc1)C(C)C

InChI Key: InChIKey=SBFCHYUPNJWUIM-JHFJJOSTSA-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 = 232282   

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))	BDBM232282 (US9345742, 40) Show SMILES CCc1cccc(CC)c1NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C36H48N4O3/c1-5-28-20-14-21-29(6-2)35(28)40-33(42)24-30(37)31(23-27-17-11-8-12-18-27)38-36(43)34(25(3)4)39-32(41)22-13-19-26-15-9-7-10-16-26/h7-12,14-18,20-21,25,30-31,34H,5-6,13,19,22-24,37H2,1-4H3,(H,38,43)(H,39,41)(H,40,42)/t30-,31-,34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	800	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
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