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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Falcipain 2' and Ligand = 'BDBM50461267'   
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
Falcipain 2


(Plasmodium falciparum)		BDBM50461267
PNG
(CHEMBL4227427)
Show SMILES Cn1nc(cc1-c1ccc(s1)C(=O)N[C@@H](Cc1cccnc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C24H23F3N6O4S2/c1-33-17(12-20(32-33)24(25,26)27)18-4-5-19(38-18)22(35)30-16(11-15-3-2-8-29-13-15)21(34)31-23(14-28)6-9-39(36,37)10-7-23/h2-5,8,12-13,16H,6-7,9-11H2,1H3,(H,30,35)(H,31,34)/t16-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2

Bioorg Med Chem Lett 28: 1540-1544 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.069
BindingDB Entry DOI: 10.7270/Q2G44SW1
More data for this
Ligand-Target Pair