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SMILES: COC(=O)c1ccc2c(c1)c[n+](SCc1cccc(Cl)c1)n(Nc1nc(C)cc(C)n1)c2=O

InChI Key: InChIKey=YLBVEDBKVYZZNS-UHFFFAOYSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50370966   
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
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)		BDBM50370966
PNG
(CHEMBL611733)
Show SMILES COC(=O)c1ccc2c(c1)c[n+](SCc1cccc(Cl)c1)n(Nc1nc(C)cc(C)n1)c2=O
Show InChI InChI=1S/C23H20ClN5O3S/c1-14-9-15(2)26-23(25-14)27-29-21(30)20-8-7-17(22(31)32-3)11-18(20)12-28(29)33-13-16-5-4-6-19(24)10-16/h4-12H,13H2,1-3H3/p+1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells

J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair