new BindingDB logo
myBDB logout

BDBM50220306 -4-(3-(2-(amino(3-hydroxypropylamino)methyleneamino)-2-oxoethyl)-4-(2-chlorophenyl)thiophen-2-yl)-N-(2,2,2-trifluoroethyl)benzamide::CHEMBL237283

SMILES: OCCCNC(=N)NC(=O)Cc1c(csc1-c1ccc(cc1)C(=O)NCC(F)(F)F)-c1ccccc1Cl

InChI Key: InChIKey=LECONICYHSMOHE-UHFFFAOYSA-N

Data: 1 IC50

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 = 50220306   
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))
BDBM50220306
PNG
(-4-(3-(2-(amino(3-hydroxypropylamino)methyleneamin...)
Show SMILES OCCCNC(=N)NC(=O)Cc1c(csc1-c1ccc(cc1)C(=O)NCC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C25H24ClF3N4O3S/c26-20-5-2-1-4-17(20)19-13-37-22(18(19)12-21(35)33-24(30)31-10-3-11-34)15-6-8-16(9-7-15)23(36)32-14-25(27,28)29/h1-2,4-9,13,34H,3,10-12,14H2,(H,32,36)(H3,30,31,33,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/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