Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM8098'   

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)	BDBM8098 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES COc1cccc(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](Cc2ccc(cc2)-c2ccccc2)C(N)=O)c1OC |r| Show InChI InChI=1S/C39H46N4O6/c1-25(2)35(43-38(46)30-16-11-17-34(48-3)36(30)49-4)39(47)42-31(22-26-12-7-5-8-13-26)33(44)24-41-32(37(40)45)23-27-18-20-29(21-19-27)28-14-9-6-10-15-28/h5-21,25,31-33,35,41,44H,22-24H2,1-4H3,(H2,40,45)(H,42,47)(H,43,46)/t31-,32-,33-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	110	-39.3	n/a	n/a	n/a	n/a	n/a	4.5	22
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair				3D Structure (docked)