Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50200019'   

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)	BDBM50200019 ((S)-2-(2S-(4-(4-(((2S,3S)-1-((3S,4S)-1-(butylamino...) 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](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OCCC)cc1)C(C)CC |r| Show InChI InChI=1S/C52H82N6O11/c1-12-15-27-53-44(60)32-43(59)41(30-33(4)5)56-49(64)45(35(8)14-3)58-47(62)37-21-25-39(26-22-37)68-38-23-19-36(20-24-38)46(61)57-42(31-34(6)7)48(63)55-40(50(65)67-29-13-2)18-16-17-28-54-51(66)69-52(9,10)11/h19-26,33-35,40-43,45,59H,12-18,27-32H2,1-11H3,(H,53,60)(H,54,66)(H,55,63)(H,56,64)(H,57,61)(H,58,62)/t35?,40-,41-,42-,43-,45-/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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