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BDBM50074130 CHEMBL3409915

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNc1ccccc1

InChI Key: InChIKey=ZCXXOMMLUPBQQC-NCXVKTGSNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50074130   
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)
BDBM50074130
PNG
(CHEMBL3409915)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNc1ccccc1 |r|
Show InChI InChI=1/C32H41N5O5/c1-21(2)18-25(33-30(39)26(19-22(3)4)35-32(41)28-16-11-17-42-28)29(38)34-27(20-23-12-7-5-8-13-23)31(40)37-36-24-14-9-6-10-15-24/h5-17,21-22,25-27,36H,18-20H2,1-4H3,(H,33,39)(H,34,38)(H,35,41)(H,37,40)/t25-,26-,27-/s2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
600n/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