BDBM232286 US9345742, 44

SMILES: CC(C)C[C@H](NC(=O)CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CC(=O)N[C@H](COc1ccc(F)cc1F)C(C)C

InChI Key: InChIKey=MDFWERJPEZHESK-ORPPTPSQSA-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 = 232286   

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))	BDBM232286 (US9345742, 44) Show SMILES CC(C)C[C@H](NC(=O)CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CC(=O)N[C@H](COc1ccc(F)cc1F)C(C)C |r| Show InChI InChI=1S/C38H57F2N5O5/c1-22(2)16-31(42-34(46)17-23(3)4)37(48)45-36(25(7)8)38(49)44-30(18-26-12-10-9-11-13-26)29(41)20-35(47)43-32(24(5)6)21-50-33-15-14-27(39)19-28(33)40/h9-15,19,22-25,29-32,36H,16-18,20-21,41H2,1-8H3,(H,42,46)(H,43,47)(H,44,49)(H,45,48)/t29-,30-,31-,32+,36-/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	39	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