BindingDB logo
myBDB logout

null

SMILES: CC[C@@H](CC(=O)N[C@@H](COC(C)(C)C)C(=O)OC)n1c(N)nc2cc(Cl)ccc12

InChI Key: InChIKey=WVWFCXDGQLAMMO-ZFWWWQNUSA-N

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 = 50324930   
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))		BDBM50324930
PNG
((S)-methyl 2-((S)-3-(2-amino-5-chloro-1H-benzo[d]i...)
Show SMILES CC[C@@H](CC(=O)N[C@@H](COC(C)(C)C)C(=O)OC)n1c(N)nc2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H29ClN4O4/c1-6-13(25-16-8-7-12(21)9-14(16)24-19(25)22)10-17(26)23-15(18(27)28-5)11-29-20(2,3)4/h7-9,13,15H,6,10-11H2,1-5H3,(H2,22,24)(H,23,26)/t13-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 1.68E+5n/an/an/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay

Bioorg Med Chem Lett 20: 5329-33 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.089
BindingDB Entry DOI: 10.7270/Q2VQ32W7
More data for this
Ligand-Target Pair