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SMILES: Cc1cc(NC(=O)CCCCN)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=HNDUFZQTCISTMT-CJQWETNPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50001073   
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
Plasmepsin II


(Plasmodium falciparum)		BDBM50001073
PNG
(CHEMBL3236067)
Show SMILES Cc1cc(NC(=O)CCCCN)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C40H51N5O7S/c1-24-18-28(42-32(47)16-10-11-17-41)19-25(2)36(24)52-22-33(48)43-30(20-26-12-6-5-7-13-26)35(49)39(51)45-23-53-40(3,4)37(45)38(50)44-34-29-15-9-8-14-27(29)21-31(34)46/h5-9,12-15,18-19,30-31,34-35,37,46,49H,10-11,16-17,20-23,41H2,1-4H3,(H,42,47)(H,43,48)(H,44,50)/t30-,31+,34-,35-,37+/m0/s1
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Similars
Article
PubMed
 1n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2

Bioorg Med Chem Lett 24: 1698-701 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.051
BindingDB Entry DOI: 10.7270/Q27S7Q8N
More data for this
Ligand-Target Pair