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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 = 'BDBM23593'   
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)
BDBM23593
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24a | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(-c2cn[nH]c2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C23H17N3O4/c27-22(26-20-9-5-4-8-19(20)23(28)29)15-10-11-18(16-13-24-25-14-16)21(12-15)30-17-6-2-1-3-7-17/h1-14H,(H,24,25)(H,26,27)(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+4n/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)
BDBM23593
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24a | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(-c2cn[nH]c2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C23H17N3O4/c27-22(26-20-9-5-4-8-19(20)23(28)29)15-10-11-18(16-13-24-25-14-16)21(12-15)30-17-6-2-1-3-7-17/h1-14H,(H,24,25)(H,26,27)(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+4n/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