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BDBM50074134 CHEMBL3409911

SMILES: COC(=O)C1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCC[C@H]2COc2ccc(F)cc2)c2ccccc2)CC1

InChI Key: InChIKey=FIOIIRFXJBRKNO-UAHXNFMRNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50074134   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Falcipain-2


(Plasmodium falciparum)
BDBM50074134
PNG
(CHEMBL3409911)
Show SMILES COC(=O)C1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCC[C@H]2COc2ccc(F)cc2)c2ccccc2)CC1 |r|
Show InChI InChI=1/C40H56FN5O7/c1-26(2)22-33(42-35(47)24-45-20-17-29(18-21-45)40(51)52-5)37(48)43-34(23-27(3)4)38(49)44-36(28-10-7-6-8-11-28)39(50)46-19-9-12-31(46)25-53-32-15-13-30(41)14-16-32/h6-8,10-11,13-16,26-27,29,31,33-34,36H,9,12,17-25H2,1-5H3,(H,42,47)(H,43,48)(H,44,49)/t31-,33-,34-,36-/s2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/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