BDBM232247 US9345742, 5

SMILES: CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CC(=O)NCCc1ccc2OCOc2c1

InChI Key: InChIKey=IQDJXTZZXHXFDX-DZUOILHNSA-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 = 232247   

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))	BDBM232247 (US9345742, 5) Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CC(=O)NCCc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C35H51N5O6/c1-6-27(39-35(44)29(16-22(2)3)38-33(42)17-23(4)5)34(43)40-28(18-24-10-8-7-9-11-24)26(36)20-32(41)37-15-14-25-12-13-30-31(19-25)46-21-45-30/h7-13,19,22-23,26-29H,6,14-18,20-21,36H2,1-5H3,(H,37,41)(H,38,42)(H,39,44)(H,40,43)/t26-,27-,28-,29-/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	1.80E+3	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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