Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cysteine proteinase falcipain 3' and Ligand = 'BDBM50513162'   

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)	BDBM50513162 (CHEMBL4467013) 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)C1CCN(C)CC1 |r,t:8| Show InChI InChI=1S/C41H58N6O6.C2HF3O2/c1-26(2)21-33(45-41(52)34(22-28-11-7-6-8-12-28)44-39(50)29-17-19-46(4)20-18-29)40(51)43-27(3)15-16-37(48)47-35(36(53-5)24-38(47)49)23-30-25-42-32-14-10-9-13-31(30)32;3-2(4,5)1(6)7/h9-10,13-16,24-29,33-35,42H,6-8,11-12,17-23H2,1-5H3,(H,43,51)(H,44,50)(H,45,52);(H,6,7)/b16-15+;/t27-,33-,34-,35-;/m0./s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	117	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
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