BDBM232278 US9345742, 36

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(C)C)C(=O)NCCC(C)C

InChI Key: InChIKey=RHCCHYFOUXNRFB-DWWVMQFWSA-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 = 232278   

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))	BDBM232278 (US9345742, 36) 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(C)C)C(=O)NCCC(C)C |r| Show InChI InChI=1S/C36H52F3N5O5/c1-7-24(6)33(34(47)41-17-16-22(2)3)44-31(46)21-28(40)29(19-25-12-9-8-10-13-25)42-35(48)32(23(4)5)43-30(45)20-26-14-11-15-27(18-26)49-36(37,38)39/h8-15,18,22-24,28-29,32-33H,7,16-17,19-21,40H2,1-6H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)/t24-,28-,29-,32-,33-/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	28	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