Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM8107'   

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)	BDBM8107 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-cyclopen...) Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)C1CCCC1)C(N)=O |r| Show InChI InChI=1S/C35H45N5O4/c1-23(2)32(40-34(43)28-14-8-9-19-37-28)35(44)39-29(20-24-10-4-3-5-11-24)31(41)22-38-30(33(36)42)21-25-15-17-27(18-16-25)26-12-6-7-13-26/h3-5,8-11,14-19,23,26,29-32,38,41H,6-7,12-13,20-22H2,1-2H3,(H2,36,42)(H,39,44)(H,40,43)/t29-,30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	130	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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