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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Falcipain-2' and Ligand = 'BDBM50074327'   
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)
BDBM50074327
PNG
(CHEMBL3409896)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCC(O)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN=C1COc1ccc(F)cc1 |r,c:46|
Show InChI InChI=1/C40H54FN7O6/c1-25(2)19-33(44-37(50)23-47-16-13-29(49)14-17-47)38(51)45-34(20-26(3)4)39(52)46-35(21-27-22-43-32-8-6-5-7-31(27)32)40(53)48-18-15-42-36(48)24-54-30-11-9-28(41)10-12-30/h5-12,22,25-26,29,33-35,43,49H,13-21,23-24H2,1-4H3,(H,44,50)(H,45,51)(H,46,52)/t33-,34-,35-/s2
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PC sid
UniChem

Patents

Article
PubMed
1.36E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay


Bioorg Med Chem 23: 2221-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.062
More data for this
Ligand-Target Pair