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SMILES: CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1CC=C

InChI Key: InChIKey=PDZIWNOITAZGJM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 26491   
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))		BDBM26491
PNG
(N-{5-[(6-phenylpyrimidin-4-yl)amino]-2-(prop-2-en-...)
Show SMILES CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1CC=C
Show InChI InChI=1S/C20H20N4O2S/c1-3-7-15-10-11-17(12-19(15)24-27(2,25)26)23-20-13-18(21-14-22-20)16-8-5-4-6-9-16/h3-6,8-14,24H,1,7H2,2H3,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.70E+5n/an/an/an/a4.522



Merck Research Laboratories



Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. After the reaction was terminated, the solution wa...

Bioorg Med Chem Lett 19: 17-20 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.027
BindingDB Entry DOI: 10.7270/Q22J696F
More data for this
Ligand-Target Pair