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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Falcilysin' and Ligand = 'BDBM50461733'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Falcilysin


(Plasmodium falciparum (isolate 3D7))		BDBM50461733
PNG
(CHEMBL4229016)
Show SMILES ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(Br)cc1)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C18H17BrFN3O5S/c19-13-4-6-15(7-5-13)29(27,28)23-9-8-22(11-16(23)17(24)21-26)18(25)12-2-1-3-14(20)10-12/h1-7,10,16,26H,8-9,11H2,(H,21,24)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10E+4n/an/an/an/an/an/a



California State University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum 3D7 FLN (55 to 1193 residues) expressed in Escherichia coli BL21 using Dabcyl-HKRHSFRMRG-EDANS as substrate prein...

Bioorg Med Chem Lett 28: 1846-1848 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.010
BindingDB Entry DOI: 10.7270/Q2V69N7V
More data for this
Ligand-Target Pair