Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50200017'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Plasmepsin II (Plasmodium falciparum)	BDBM50200017 ((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(6-amino-1-...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r| Show InChI InChI=1S/C56H81N9O9/c1-9-11-28-58-49(67)34-48(66)46(31-35(3)4)64-56(72)50(36(5)10-2)65-54(70)40-21-25-43(26-22-40)74-42-23-19-39(20-24-42)53(69)62-38(7)52(68)63-45(18-12-13-27-57)55(71)60-30-14-16-37(6)61-47-33-44(73-8)32-41-17-15-29-59-51(41)47/h15,17,19-26,29,32-33,35-38,45-46,48,50,61,66H,9-14,16,18,27-28,30-31,34,57H2,1-8H3,(H,58,67)(H,60,71)(H,62,69)(H,63,68)(H,64,72)(H,65,70)/t36?,37?,38-,45-,46-,48-,50-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM2				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
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