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SMILES: Fc1ccc(cc1)N1CCN(CCCCN(CC#N)C(=O)OCc2ccccc2)CC1

InChI Key: InChIKey=UQOCJNOTNWYZQR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50313769   
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)		BDBM50313769
PNG
(CHEMBL1094051 | benzyl cyanomethyl(4-(4-(4-fluorop...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCCN(CC#N)C(=O)OCc2ccccc2)CC1
Show InChI InChI=1S/C24H29FN4O2/c25-22-8-10-23(11-9-22)28-18-16-27(17-19-28)13-4-5-14-29(15-12-26)24(30)31-20-21-6-2-1-3-7-21/h1-3,6-11H,4-5,13-20H2
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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