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BDBM23592 (3-Phenoxybenzoylamino)benzoic acid deriv., 23i::2-{[4-(3,5-dimethylpiperidin-1-yl)-3-phenoxybenzene]amido}benzoic acid

SMILES: CC1CC(C)CN(C1)c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O

InChI Key: InChIKey=YMZMFFRGSWCLPY-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 23592   
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)
BDBM23592
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 23i | ...)
Show SMILES CC1CC(C)CN(C1)c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H28N2O4/c1-18-14-19(2)17-29(16-18)24-13-12-20(15-25(24)33-21-8-4-3-5-9-21)26(30)28-23-11-7-6-10-22(23)27(31)32/h3-13,15,18-19H,14,16-17H2,1-2H3,(H,28,30)(H,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 270n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23592
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 23i | ...)
Show SMILES CC1CC(C)CN(C1)c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H28N2O4/c1-18-14-19(2)17-29(16-18)24-13-12-20(15-25(24)33-21-8-4-3-5-9-21)26(30)28-23-11-7-6-10-22(23)27(31)32/h3-13,15,18-19H,14,16-17H2,1-2H3,(H,28,30)(H,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 270n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)