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PDB code 5ENK

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit 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

  (441/441 = 100%)†
(Homo sapiens (Human))		BDBM50088174
PNG
(CHEMBL3427251)
Show SMILES Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1
Show InChI InChI=1S/C20H19F2N5OS/c1-10-18(11(2)28-27-10)17-6-20(3,26-19(23)29-17)14-4-13(15(21)5-16(14)22)12-7-24-9-25-8-12/h4-5,7-9,17H,6H2,1-3H3,(H2,23,26)/t17-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells stably transfected with APP751 containing Swedish mutation assessed as reduction in Abeta (1 to 40) and Abeta (...

ACS Med Chem Lett 6: 237-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00003
BindingDB Entry DOI: 10.7270/Q2JW8GMF
More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output