Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Falcipain 2' and Ligand = 'BDBM50513169'   

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
Falcipain 2 (Plasmodium falciparum)	BDBM50513169 (CHEMBL4555310) Show SMILES OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:8| Show InChI InChI=1S/C39H58N6O6.C2HF3O2/c1-23(2)18-29(42-38(50)35(25(5)6)44(9)10)36(48)41-30(19-24(3)4)37(49)43-39(7,8)17-16-33(46)45-31(32(51-11)21-34(45)47)20-26-22-40-28-15-13-12-14-27(26)28;3-2(4,5)1(6)7/h12-17,21-25,29-31,35,40H,18-20H2,1-11H3,(H,41,48)(H,42,50)(H,43,49);(H,6,7)/b17-16+;/t29-,30-,31-,35-;/m0./s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-terminal His6-tagged falcipain-2 (35 residues) expressed in Escherichia coli M15 pREP4 using Z-Lue-Arg-AMC as s...				J Med Chem 62: 5562-5578 (2019) Article DOI: 10.1021/acs.jmedchem.9b00504 BindingDB Entry DOI: 10.7270/Q2GQ722K
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