BDBM232280 US9345742, 38

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

InChI Key: InChIKey=GQNIGSCFFZFRNB-MEROQGEASA-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 = 232280   

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))	BDBM232280 (US9345742, 38) Show SMILES CCc1cccc(CC)c1NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C |r| Show InChI InChI=1S/C37H57N5O4/c1-9-27-17-14-18-28(10-2)35(27)41-33(44)22-29(38)30(21-26-15-12-11-13-16-26)40-37(46)34(25(7)8)42-36(45)31(19-23(3)4)39-32(43)20-24(5)6/h11-18,23-25,29-31,34H,9-10,19-22,38H2,1-8H3,(H,39,43)(H,40,46)(H,41,44)(H,42,45)/t29-,30-,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	230	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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