Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Falcipain 2' and Ligand = 'BDBM50513163'   

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)	BDBM50513163 (CHEMBL4442854) Show SMILES OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C |r,t:8| Show InChI InChI=1S/C42H56N6O6.C2HF3O2/c1-26(2)22-34(46-40(51)33(20-19-29-14-10-9-11-15-29)45-42(53)39(27(3)4)47(6)7)41(52)44-28(5)18-21-37(49)48-35(36(54-8)24-38(48)50)23-30-25-43-32-17-13-12-16-31(30)32;3-2(4,5)1(6)7/h9-18,21,24-28,33-35,39,43H,19-20,22-23H2,1-8H3,(H,44,52)(H,45,53)(H,46,51);(H,6,7)/b21-18+;/t28-,33-,34-,35-,39-;/m0./s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	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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