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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Falcipain-2' and Ligand = 'BDBM50074141'   
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)
BDBM50074141
PNG
(CHEMBL3409904)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCC(CCO)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1COc1ccc(F)cc1 |r|
Show InChI InChI=1/C43H61FN6O6/c1-28(2)22-37(46-40(52)26-49-19-15-30(16-20-49)17-21-51)41(53)47-38(23-29(3)4)42(54)48-39(24-31-25-45-36-10-6-5-9-35(31)36)43(55)50-18-7-8-33(50)27-56-34-13-11-32(44)12-14-34/h5-6,9-14,25,28-30,33,37-39,45,51H,7-8,15-24,26-27H2,1-4H3,(H,46,52)(H,47,53)(H,48,54)/t33-,37-,38-,39-/s2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.29E+3n/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