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BDBM23595 (3-Phenoxybenzoylamino)benzoic acid deriv., 24d::2-({3-phenoxy-4-[4-(trifluoromethyl)phenyl]benzene}amido)benzoic acid

SMILES: OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=CBMHIMZUNFBWLA-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 23595   
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
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23595
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24d | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H18F3NO4/c28-27(29,30)19-13-10-17(11-14-19)21-15-12-18(16-24(21)35-20-6-2-1-3-7-20)25(32)31-23-9-5-4-8-22(23)26(33)34/h1-16H,(H,31,32)(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 95.9n/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
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23595
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24d | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H18F3NO4/c28-27(29,30)19-13-10-17(11-14-19)21-15-12-18(16-24(21)35-20-6-2-1-3-7-20)25(32)31-23-9-5-4-8-22(23)26(33)34/h1-16H,(H,31,32)(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 96n/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