Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM8094'   

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 I (Plasmodium falciparum)	BDBM8094 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C35H40N4O5/c1-23(2)32(39-34(42)28-17-18-44-22-28)35(43)38-29(19-24-9-5-3-6-10-24)31(40)21-37-30(33(36)41)20-25-13-15-27(16-14-25)26-11-7-4-8-12-26/h3-18,22-23,29-32,37,40H,19-21H2,1-2H3,(H2,36,41)(H,38,43)(H,39,42)/t29-,30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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
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