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BDBM50415532 CHEMBL592303

SMILES: COc1ccc(\C=C\C(=O)c2ccc(OCC#C)cc2)c(OC)c1OC

InChI Key: InChIKey=KQUFBWKVDZRVHY-XYOKQWHBSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50415532   
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)
BDBM50415532
PNG
(CHEMBL592303)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(OCC#C)cc2)c(OC)c1OC
Show InChI InChI=1S/C21H20O5/c1-5-14-26-17-10-6-15(7-11-17)18(22)12-8-16-9-13-19(23-2)21(25-4)20(16)24-3/h1,6-13H,14H2,2-4H3/b12-8+
PDB
MMDB

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



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair