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SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6]=[#6]S(=O)(=O)c1ccccc1

InChI Key: InChIKey=BIGBADKFHAJMCP-SFHVURJKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50313775   
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
Metacaspase-2


(Trypanosoma brucei)		BDBM50313775
PNG
((S)-benzyl 6-guanidino-1-(phenylsulfonyl)hex-1-en-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6]=[#6]S(=O)(=O)c1ccccc1 |r,w:20.21|
Show InChI InChI=1S/C21H26N4O4S/c22-20(23)24-14-7-10-18(13-15-30(27,28)19-11-5-2-6-12-19)25-21(26)29-16-17-8-3-1-4-9-17/h1-6,8-9,11-13,15,18H,7,10,14,16H2,(H,25,26)(H4,22,23,24)/t18-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei MAC2

Bioorg Med Chem Lett 20: 2001-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T
More data for this
Ligand-Target Pair