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PDB code 5F00

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

  (389/390 > 99%)†
(Homo sapiens (Human))		BDBM202615
PNG
(US9242943, 24)
Show SMILES CC1(COCC(N)=N1)c1cccc(Nc2cccc3cc(Cl)cnc23)c1
Show InChI InChI=1S/C20H19ClN4O/c1-20(12-26-11-18(22)25-20)14-5-3-6-16(9-14)24-17-7-2-4-13-8-15(21)10-23-19(13)17/h2-10,24H,11-12H2,1H3,(H2,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
US Patent
n/an/a 250n/an/an/an/an/an/a



SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...

Citation and Details
More data for this
Ligand-Target Pair

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