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SMILES: [O-]C(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH+]1C)C(=O)N[C@@H](C)\C=C\C(=O)N[C@@H](C)C(=O)NCc1ccccc1

InChI Key: InChIKey=NWYUAYDYOBONNT-BGWFXLPBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50033673   
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
Falcipain 2


(Plasmodium falciparum)		BDBM50033673
PNG
(CHEMBL3358137)
Show SMILES [O-]C(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH+]1C)C(=O)N[C@@H](C)\C=C\C(=O)N[C@@H](C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C33H52N6O5.C2HF3O2/c1-21(2)18-26(37-32(43)27(19-22(3)4)38-33(44)28-14-11-17-39(28)7)31(42)35-23(5)15-16-29(40)36-24(6)30(41)34-20-25-12-9-8-10-13-25;3-2(4,5)1(6)7/h8-10,12-13,15-16,21-24,26-28H,11,14,17-20H2,1-7H3,(H,34,41)(H,35,42)(H,36,40)(H,37,43)(H,38,44);(H,6,7)/b16-15+;/t23-,24-,26-,27-,28-;/m0./s1
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MMDB

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Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ...

J Med Chem 57: 10557-63 (2014)


Article DOI: 10.1021/jm501439w
BindingDB Entry DOI: 10.7270/Q2TM7CQW
More data for this
Ligand-Target Pair