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BDBM50440619 CHEMBL2426555

SMILES: Cc1c(Oc2ccc(Cl)cc2O)c(=O)oc2cc(O)ccc12

InChI Key: InChIKey=MFRYUVDJQGAJGO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50440619   
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
3-oxoacyl-(Acyl-carrier protein) reductase


(Plasmodium falciparum (isolate 3D7))
BDBM50440619
PNG
(CHEMBL2426555)
Show SMILES Cc1c(Oc2ccc(Cl)cc2O)c(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C16H11ClO5/c1-8-11-4-3-10(18)7-14(11)22-16(20)15(8)21-13-5-2-9(17)6-12(13)19/h2-7,18-19H,1H3
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum 3D7 FabG using acetoacetyl-CoA as substrate after 10 mins in presence of NADPH


J Med Chem 56: 7516-26 (2013)


Article DOI: 10.1021/jm400637m
BindingDB Entry DOI: 10.7270/Q26D5VD7
More data for this
Ligand-Target Pair
Fatty acid synthase


(Plasmodium falciparum)
BDBM50440619
PNG
(CHEMBL2426555)
Show SMILES Cc1c(Oc2ccc(Cl)cc2O)c(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C16H11ClO5/c1-8-11-4-3-10(18)7-14(11)22-16(20)15(8)21-13-5-2-9(17)6-12(13)19/h2-7,18-19H,1H3
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum FabZ using crotonoyl-CoA as substrate after 10 mins


J Med Chem 56: 7516-26 (2013)


Article DOI: 10.1021/jm400637m
BindingDB Entry DOI: 10.7270/Q26D5VD7
More data for this
Ligand-Target Pair