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BDBM50324898 3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol::3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)propan-1-ol::CHEMBL1221922

SMILES: Nc1nc2cc(Cl)ccc2n1CCCO

InChI Key: InChIKey=NSMVCZCLMLZSOB-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 = 50324898   
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))
BDBM50324898
PNG
(3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-...)
Show SMILES Nc1nc2cc(Cl)ccc2n1CCCO
Show InChI InChI=1S/C10H12ClN3O/c11-7-2-3-9-8(6-7)13-10(12)14(9)4-1-5-15/h2-3,6,15H,1,4-5H2,(H2,12,13)
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MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
n/an/a 7.70E+5n/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)