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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'beta-Ketoacyl-ACP Synthase III (FabH)' and Ligand = 'BDBM23586'   
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
beta-Ketoacyl-ACP Synthase III (FabH)


(Streptococcus pyogenes)
BDBM23586
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 31 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(Br)c(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14BrNO5/c21-14-10-9-12(11-17(14)27-13-5-2-1-3-6-13)19(24)22-15-7-4-8-16(23)18(15)20(25)26/h1-11,23H,(H,22,24)(H,25,26)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/a7.022



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
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23586
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 31 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(Br)c(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14BrNO5/c21-14-10-9-12(11-17(14)27-13-5-2-1-3-6-13)19(24)22-15-7-4-8-16(23)18(15)20(25)26/h1-11,23H,(H,22,24)(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 62n/an/an/an/a7.022



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
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Staphylococcus aureus)
BDBM23586
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 31 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(Br)c(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14BrNO5/c21-14-10-9-12(11-17(14)27-13-5-2-1-3-6-13)19(24)22-15-7-4-8-16(23)18(15)20(25)26/h1-11,23H,(H,22,24)(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.23E+4n/an/an/an/a7.022



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
beta-Ketoacyl-ACP Synthase III (FabH)


(Haemophilus influenzae)
BDBM23586
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 31 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(Br)c(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14BrNO5/c21-14-10-9-12(11-17(14)27-13-5-2-1-3-6-13)19(24)22-15-7-4-8-16(23)18(15)20(25)26/h1-11,23H,(H,22,24)(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/a7.022



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