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BDBM50415536 CHEMBL589903

SMILES: COc1ccc(\C=C\C(=O)c2cccc(OCC#C)c2)c(OC)c1

InChI Key: InChIKey=IZJJFUMUQIIMTP-PKNBQFBNSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50415536   
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)
BDBM50415536
PNG
(CHEMBL589903)
Show SMILES COc1ccc(\C=C\C(=O)c2cccc(OCC#C)c2)c(OC)c1
Show InChI InChI=1S/C20H18O4/c1-4-12-24-18-7-5-6-16(13-18)19(21)11-9-15-8-10-17(22-2)14-20(15)23-3/h1,5-11,13-14H,12H2,2-3H3/b11-9+
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