BDBM50143445 (S)-2-{(S)-2-[3-Benzyl-3-((2R,3S)-3-tert-butoxycarbonylamino-2-hydroxy-4-phenyl-butyl)-ureido]-propionylamino}-3-phenyl-propionic acid methyl ester::CHEMBL368719

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

InChI Key: InChIKey=MXHWGOKKESFMDM-NFRMDYDPSA-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 = 50143445   

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
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50143445 ((S)-2-{(S)-2-[3-Benzyl-3-((2R,3S)-3-tert-butoxycar...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 Show InChI InChI=1S/C36H46N4O7/c1-25(32(42)38-30(33(43)46-5)22-27-17-11-7-12-18-27)37-34(44)40(23-28-19-13-8-14-20-28)24-31(41)29(21-26-15-9-6-10-16-26)39-35(45)47-36(2,3)4/h6-20,25,29-31,41H,21-24H2,1-5H3,(H,37,44)(H,38,42)(H,39,45)/t25-,29-,30-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)				Bioorg Med Chem Lett 14: 1935-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.077 BindingDB Entry DOI: 10.7270/Q2F19080
					More data for this Ligand-Target Pair