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BDBM50448254 CHEMBL3120841

SMILES: CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCSCC1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=HRUYIZQVOURFNK-QWVACARCNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50448254   
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
Cysteine protease falcipain-2


(Plasmodium falciparum)
BDBM50448254
PNG
(CHEMBL3120841)
Show SMILES CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCSCC1)NC(=O)OCc1ccccc1
Show InChI InChI=1/C27H32N2O6S/c1-20(30)34-19-24(31)23(13-12-21-8-4-2-5-9-21)28-25(32)27(14-16-36-17-15-27)29-26(33)35-18-22-10-6-3-7-11-22/h2-11,23H,12-19H2,1H3,(H,28,32)(H,29,33)/t23-/s2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.39E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50448254
PNG
(CHEMBL3120841)
Show SMILES CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCSCC1)NC(=O)OCc1ccccc1
Show InChI InChI=1/C27H32N2O6S/c1-20(30)34-19-24(31)23(13-12-21-8-4-2-5-9-21)28-25(32)27(14-16-36-17-15-27)29-26(33)35-18-22-10-6-3-7-11-22/h2-11,23H,12-19H2,1H3,(H,28,32)(H,29,33)/t23-/s2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair