Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Falcipain-2' and Ligand = 'BDBM12037'   

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)	BDBM12037 (3-(4-chlorophenyl)-1-{4-[(2E)-3-(3,4,5-trimethoxyp...) Show SMILES COc1cc(\C=C\C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc(OC)c1OC Show InChI InChI=1S/C25H23ClN2O5/c1-31-22-14-16(15-23(32-2)24(22)33-3)4-13-21(29)17-5-9-19(10-6-17)27-25(30)28-20-11-7-18(26)8-12-20/h4-15H,1-3H3,(H2,27,28,30)/b13-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	5.5	22
Universidad Central de Venezuela					Assay Description The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...				J Med Chem 48: 3654-8 (2005) Article DOI: 10.1021/jm058208o BindingDB Entry DOI: 10.7270/Q2GF0RRD
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