BDBM232254 US9345742, 12

SMILES: CCOC(=O)C1(CC1)NC(=O)[C@@H](NC(=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)[C@@H](C)CC

InChI Key: InChIKey=IXQDVXNDTGQHHR-NUKIMCBMSA-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 = 232254   

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))	BDBM232254 (US9345742, 12) Show SMILES CCOC(=O)C1(CC1)NC(=O)[C@@H](NC(=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)[C@@H](C)CC |r| Show InChI InChI=1S/C39H64N6O7/c1-10-26(9)34(37(50)45-39(17-18-39)38(51)52-11-2)43-32(47)22-28(40)29(21-27-15-13-12-14-16-27)42-36(49)33(25(7)8)44-35(48)30(19-23(3)4)41-31(46)20-24(5)6/h12-16,23-26,28-30,33-34H,10-11,17-22,40H2,1-9H3,(H,41,46)(H,42,49)(H,43,47)(H,44,48)(H,45,50)/t26-,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	110	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