BDBM232283 US9345742, 41

SMILES: CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)[C@@H](C)CC)C(=O)N[C@H](CO)C(C)C

InChI Key: InChIKey=XNVYUINVKKTEFC-CEPVFXPXSA-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 = 232283   

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))	BDBM232283 (US9345742, 41) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)[C@@H](C)CC)C(=O)N[C@H](CO)C(C)C |r| Show InChI InChI=1S/C37H54F3N5O6/c1-7-23(5)33(44-31(47)19-26-15-12-16-27(17-26)51-37(38,39)40)35(49)42-29(18-25-13-10-9-11-14-25)28(41)20-32(48)45-34(24(6)8-2)36(50)43-30(21-46)22(3)4/h9-17,22-24,28-30,33-34,46H,7-8,18-21,41H2,1-6H3,(H,42,49)(H,43,50)(H,44,47)(H,45,48)/t23-,24-,28-,29-,30+,33-,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	480	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
					More data for this Ligand-Target Pair