BDBM50148340 4-{[(S)-2-((2S,4S)-5-Cyclohexyl-3-hydroxy-4-{(3S,4S)-3-hydroxy-5-phenyl-4-[((S)-pyrrolidine-2-carbonyl)-amino]-pentanoylamino}-pentanoylamino)-3-methyl-butyrylamino]-methyl}-benzoic acid::CHEMBL114169

SMILES: CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)NCc1ccc(cc1)C(O)=O

InChI Key: InChIKey=ZNCSVOJXHWNLGG-VGNPQVDOSA-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 = 50148340   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50148340 (4-{[(S)-2-((2S,4S)-5-Cyclohexyl-3-hydroxy-4-{(3S,4...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C40H57N5O8/c1-25(2)37(39(51)42-24-28-15-17-29(18-16-28)40(52)53)45-36(49)23-33(46)31(20-26-10-5-3-6-11-26)43-35(48)22-34(47)32(21-27-12-7-4-8-13-27)44-38(50)30-14-9-19-41-30/h4,7-8,12-13,15-18,25-26,30-34,37,41,46-47H,3,5-6,9-11,14,19-24H2,1-2H3,(H,42,51)(H,43,48)(H,44,50)(H,45,49)(H,52,53)/t30-,31-,32-,33-,34-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human Beta-secretase 1				Bioorg Med Chem Lett 14: 3457-60 (2004) Article DOI: 10.1016/j.bmcl.2004.04.068 BindingDB Entry DOI: 10.7270/Q2HX1C3V
					More data for this Ligand-Target Pair