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SMILES: COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)NCc2nc(C)oc2C)N(C)S(C)(=O)=O)c1

InChI Key: InChIKey=XWXGQIHGYRQPIQ-XDFJSJKPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50231931   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))		BDBM50231931
PNG
(CHEMBL403483 | N1-((2S,3R)-4-(3-methoxybenzylamino...)
Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)NCc2nc(C)oc2C)N(C)S(C)(=O)=O)c1
Show InChI InChI=1S/C34H41N5O7S/c1-22-31(37-23(2)46-22)20-36-33(41)26-16-27(18-28(17-26)39(3)47(5,43)44)34(42)38-30(15-24-10-7-6-8-11-24)32(40)21-35-19-25-12-9-13-29(14-25)45-4/h6-14,16-18,30,32,35,40H,15,19-21H2,1-5H3,(H,36,41)(H,38,42)/t30-,32+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 552n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant memapsin 2

Bioorg Med Chem Lett 18: 1031-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.028
BindingDB Entry DOI: 10.7270/Q2513XZC
More data for this
Ligand-Target Pair