Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cysteine proteinase falcipain 3' and Ligand = 'BDBM50513161'   

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
Cysteine proteinase falcipain 3 (Plasmodium falciparum)	BDBM50513161 (CHEMBL4472824) 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](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:8| Show InChI InChI=1S/C41H60N6O6.C2HF3O2/c1-25(2)20-32(44-40(51)33(21-28-14-10-9-11-15-28)45-41(52)38(26(3)4)46(6)7)39(50)43-27(5)18-19-36(48)47-34(35(53-8)23-37(47)49)22-29-24-42-31-17-13-12-16-30(29)31;3-2(4,5)1(6)7/h12-13,16-19,23-28,32-34,38,42H,9-11,14-15,20-22H2,1-8H3,(H,43,50)(H,44,51)(H,45,52);(H,6,7)/b19-18+;/t27-,32-,33-,34-,38-;/m0./s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	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 His-tagged falcipain-3 (33 residues) expressed in Escherichia coli M15 pREP4 using Z-Leu-Arg-AMC as su...				J Med Chem 62: 5562-5578 (2019) Article DOI: 10.1021/acs.jmedchem.9b00504 BindingDB Entry DOI: 10.7270/Q2GQ722K
					More data for this Ligand-Target Pair