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PubMed code 27104967

Compile data set for download or QSAR
Found 1 hit of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))		BDBM50190652
PNG
(CHEMBL3937141)
Show SMILES [H][C@@]12C[C@@]3(C(=O)O1)C(=C[C@H]2O)[C@H](Cl)C[C@@]1([H])C2=C(CC[C@]31[H])[C@](C)(CC)CC2 |r,c:8,18,TLB:5:4:2:9.8.7|
Show InChI InChI=1S/C21H27ClO3/c1-3-20(2)7-6-11-12-8-16(22)15-9-17(23)18-10-21(15,19(24)25-18)14(12)5-4-13(11)20/h9,12,14,16-18,23H,3-8,10H2,1-2H3/t12-,14-,16+,17+,18-,20+,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 8.20E+4n/an/an/an/an/an/a



University of Hawaii at Manoa

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) assessed as cleavage of amyloid precursor protein by beta-galactosidase enzyme complementation assay

J Nat Prod 79: 1464-7 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00042
BindingDB Entry DOI: 10.7270/Q2RV0QMT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%