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BDBM50074144 CHEMBL3409901

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1COc1ccc(F)cc1

InChI Key: InChIKey=UEBADBGZUOFRRU-CPHVMIFANA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50074144   
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)
BDBM50074144
PNG
(CHEMBL3409901)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1COc1ccc(F)cc1 |r|
Show InChI InChI=1/C39H53FN6O6/c1-25(2)20-33(42-37(48)34(21-26(3)4)44-39(50)45-16-18-51-19-17-45)36(47)43-35(22-27-23-41-32-10-6-5-9-31(27)32)38(49)46-15-7-8-29(46)24-52-30-13-11-28(40)12-14-30/h5-6,9-14,23,25-26,29,33-35,41H,7-8,15-22,24H2,1-4H3,(H,42,48)(H,43,47)(H,44,50)/t29-,33-,34-,35-/s2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
400n/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