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BDBM50324903 4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide::4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-cyclohexyl-N-methylbutanamide::CHEMBL1221977

SMILES: CN(C1CCCCC1)C(=O)CCCn1c(N)nc2cc(Cl)ccc12

InChI Key: InChIKey=UIWHCBCBZBYNDS-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50324903   
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))
BDBM50324903
PNG
(4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cycloh...)
Show SMILES CN(C1CCCCC1)C(=O)CCCn1c(N)nc2cc(Cl)ccc12
Show InChI InChI=1S/C18H25ClN4O/c1-22(14-6-3-2-4-7-14)17(24)8-5-11-23-16-10-9-13(19)12-15(16)21-18(23)20/h9-10,12,14H,2-8,11H2,1H3,(H2,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay


Bioorg Med Chem Lett 20: 5329-33 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)