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SMILES: [#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)C#N)cc1

InChI Key: InChIKey=LITMQKSVCWTOSP-INIZCTEOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50313781   
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)		BDBM50313781
PNG
((S)-benzyl 1-cyano-2-(4-guanidinophenyl)ethylcarba...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)C#N)cc1 |r|
Show InChI InChI=1S/C18H19N5O2/c19-11-16(10-13-6-8-15(9-7-13)22-17(20)21)23-18(24)25-12-14-4-2-1-3-5-14/h1-9,16H,10,12H2,(H,23,24)(H4,20,21,22)/t16-/m0/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/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