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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '3-oxoacyl-[acyl-carrier-protein] synthase 3' and Ligand = 'BDBM23590'   
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
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Enterococcus faecalis)
BDBM23590
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 23g | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(N2CCSCC2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C24H22N2O4S/c27-23(25-20-9-5-4-8-19(20)24(28)29)17-10-11-21(26-12-14-31-15-13-26)22(16-17)30-18-6-2-1-3-7-18/h1-11,16H,12-15H2,(H,25,27)(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Eur J Med Chem 43: 1071-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.018
BindingDB Entry DOI: 10.7270/Q2GQ700V
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Enterococcus faecalis)
BDBM23590
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 23g | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(N2CCSCC2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C24H22N2O4S/c27-23(25-20-9-5-4-8-19(20)24(28)29)17-10-11-21(26-12-14-31-15-13-26)22(16-17)30-18-6-2-1-3-7-18/h1-11,16H,12-15H2,(H,25,27)(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair