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SMILES: COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NS(C)(=O)=O)c(Cl)c1

InChI Key: InChIKey=KUGXCHPMNPXDGL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50398887   
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))		BDBM50398887
PNG
(CHEMBL2178182)
Show SMILES COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NS(C)(=O)=O)c(Cl)c1 |w:19.21|
Show InChI InChI=1S/C21H21Cl2N5O4S2/c1-11-17(18(27-33-11)13-4-6-14(32-2)7-5-13)20(29)26-21(24)25-10-12-8-15(22)19(16(23)9-12)28-34(3,30)31/h4-9,28H,10H2,1-3H3,(H3,24,25,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 280n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Displacement of [3H]BMS-599240 from BACE1 expressed in HEK293 cells

J Med Chem 55: 9208-23 (2012)


Article DOI: 10.1021/jm300931y
BindingDB Entry DOI: 10.7270/Q20G3M8M
More data for this
Ligand-Target Pair