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BDBM50220309 4-(3-(2-(amino(3-hydroxypropylamino)methyleneamino)-2-oxoethyl)-4-(2-chlorophenyl)thiophen-2-yl)-N-butylbenzamide::CHEMBL391109

SMILES: CCCCNC(=O)c1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl

InChI Key: InChIKey=ZSTMDQGFQQOQDH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50220309   
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))
BDBM50220309
PNG
(4-(3-(2-(amino(3-hydroxypropylamino)methyleneamino...)
Show SMILES CCCCNC(=O)c1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl
Show InChI InChI=1S/C27H31ClN4O3S/c1-2-3-13-30-26(35)19-11-9-18(10-12-19)25-21(16-24(34)32-27(29)31-14-6-15-33)22(17-36-25)20-7-4-5-8-23(20)28/h4-5,7-12,17,33H,2-3,6,13-16H2,1H3,(H,30,35)(H3,29,31,32,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 17: 5353-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.010
BindingDB Entry DOI: 10.7270/Q2WQ03GF
More data for this
Ligand-Target Pair