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SMILES: [O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H]([NH+](C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N[C@@H](C)C(=O)N1C[C@@H](O)C[C@H]1C(=O)OC

InChI Key: InChIKey=ZEESGJNKYZEFFZ-LAFKEHSDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50033669   
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)		BDBM50033669
PNG
(CHEMBL3358139)
Show SMILES [O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H]([NH+](C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N[C@@H](C)C(=O)N1C[C@@H](O)C[C@H]1C(=O)OC |r|
Show InChI InChI=1S/C39H69N7O9.C2HF3O2/c1-14-24(8)33(45(11)12)37(52)43-28(17-21(2)3)34(49)42-29(18-22(4)5)35(50)44-32(23(6)7)36(51)40-25(9)15-16-31(48)41-26(10)38(53)46-20-27(47)19-30(46)39(54)55-13;3-2(4,5)1(6)7/h15-16,21-30,32-33,47H,14,17-20H2,1-13H3,(H,40,51)(H,41,48)(H,42,49)(H,43,52)(H,44,50);(H,6,7)/b16-15+;/t24-,25-,26-,27-,28-,29-,30-,32-,33-;/m0./s1
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Article
PubMed
n/an/a>5.00E+4n/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