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BDBM50129382 CHEMBL3627962

SMILES: COc1ccc(cc1)C1CCCN1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1

InChI Key: InChIKey=CXBJQMTTWNLFSY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50129382   
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))		BDBM50129382
PNG
(CHEMBL3627962)
Show SMILES COc1ccc(cc1)C1CCCN1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1
Show InChI InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)10-14(11-18(20)24)12-26-21(25)28-22(31)29-9-3-4-19(29)15-5-7-16(32-2)8-6-15/h5-8,10-11,19H,3-4,9,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars
PubMed
 2.30E+3n/an/an/an/an/an/a5.0n/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...

Bioorg Med Chem Lett 25: 5040-7 (2015)


BindingDB Entry DOI: 10.7270/Q2CZ390J
More data for this
Ligand-Target Pair