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SMILES: Fc1ccc(cc1)C(N1CCN(CCCCN(CC#N)C(=O)OCc2ccccc2)CC1)c1ccc(F)cc1

InChI Key: InChIKey=KBDYJFNXFJPZLV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50313770   
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)		BDBM50313770
PNG
(CHEMBL1081308 | benzyl 4-(4-(bis(4-fluorophenyl)me...)
Show SMILES Fc1ccc(cc1)C(N1CCN(CCCCN(CC#N)C(=O)OCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C31H34F2N4O2/c32-28-12-8-26(9-13-28)30(27-10-14-29(33)15-11-27)36-22-20-35(21-23-36)17-4-5-18-37(19-16-34)31(38)39-24-25-6-2-1-3-7-25/h1-3,6-15,30H,4-5,17-24H2
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