BDBM50366849 CHEMBL1791011

SMILES: CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)C(O)=O

InChI Key: InChIKey=VNMVAZJIAINVLF-HYORAKBMSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50366849   

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))	BDBM50366849 (CHEMBL1791011) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)C(O)=O Show InChI InChI=1S/C38H55N5O8S/c1-7-24(4)34(40-25(5)44)37(49)42-29(16-17-52-6)36(48)43-30(18-23(2)3)32(45)21-33(46)41-31(20-26-12-9-8-10-13-26)35(47)39-22-27-14-11-15-28(19-27)38(50)51/h8-15,19,23-24,29-32,34,45H,7,16-18,20-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)(H,42,49)(H,43,48)(H,50,51)/t24-,29-,30-,31-,32-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human beta-secretase				Bioorg Med Chem Lett 13: 4335-9 (2003) BindingDB Entry DOI: 10.7270/Q2513ZR3
					More data for this Ligand-Target Pair