Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM8025'   

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)	BDBM8025 ((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...) Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r| Show InChI InChI=1S/C30H36BrN5O4/c1-19(2)27(36-29(39)23-10-6-7-15-33-23)30(40)35-24(16-20-8-4-3-5-9-20)26(37)18-34-25(28(32)38)17-21-11-13-22(31)14-12-21/h3-15,19,24-27,34,37H,16-18H2,1-2H3,(H2,32,38)(H,35,40)(H,36,39)/t24-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	98	-39.6	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 Med Chem 46: 734-46 (2003) Article DOI: 10.1021/jm020951i BindingDB Entry DOI: 10.7270/Q2N29V56
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