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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Enoyl-ACP reductase' and Ligand = 'BDBM97445'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Enoyl-ACP reductase


(Staphylococcus aureus)
BDBM97445
PNG
(PT119)
Show SMILES CCCCCCc1ccc(Oc2ccccc2C#N)c(O)c1
Show InChI InChI=1S/C19H21NO2/c1-2-3-4-5-8-15-11-12-19(17(21)13-15)22-18-10-7-6-9-16(18)14-20/h6-7,9-13,21H,2-5,8H2,1H3
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PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus enoyl ACP reductase


Eur J Med Chem 88: 66-73 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.008
BindingDB Entry DOI: 10.7270/Q25T3N3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)