BDBM232243 US9345742, 1

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

InChI Key: InChIKey=OZWVDVFICMDPQD-YUQDWORRSA-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 = 232243   

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))	BDBM232243 (US9345742, 1) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C38H64N6O8/c1-12-24(7)32(35(48)44-31(23(5)6)36(49)51-11)43-30(45)21-26(39)28(20-25-17-15-14-16-18-25)41-33(46)27(13-2)40-34(47)29(19-22(3)4)42-37(50)52-38(8,9)10/h14-18,22-24,26-29,31-32H,12-13,19-21,39H2,1-11H3,(H,40,47)(H,41,46)(H,42,50)(H,43,45)(H,44,48)/t24-,26-,27-,28-,29-,31-,32-/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	40	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