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BDBM50231504 CHEMBL252025::N-{2-[2-(4-fluoro-phenyl)-5-(4-phenoxy-phenyl)-pyrrol-1-yl]-acetyl}-guanidine

SMILES: NC(=N)NC(=O)Cn1c(ccc1-c1ccc(Oc2ccccc2)cc1)-c1ccc(F)cc1

InChI Key: InChIKey=HMLZJVXASTZJHZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50231504   
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))
BDBM50231504
PNG
(CHEMBL252025 | N-{2-[2-(4-fluoro-phenyl)-5-(4-phen...)
Show SMILES NC(=N)NC(=O)Cn1c(ccc1-c1ccc(Oc2ccccc2)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21FN4O2/c26-19-10-6-17(7-11-19)22-14-15-23(30(22)16-24(31)29-25(27)28)18-8-12-21(13-9-18)32-20-4-2-1-3-5-20/h1-15H,16H2,(H4,27,28,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair