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PubMed code 19708663

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
HTH-type transcriptional regulator ExsA


(Pseudomonas aeruginosa)
BDBM50378357
PNG
(CHEMBL575329)
Show SMILES On1c(nc2ccc(cc12)[N+]([O-])=O)-c1ccc(NC(=O)\C=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H15FN4O4/c23-16-6-1-14(2-7-16)3-12-21(28)24-17-8-4-15(5-9-17)22-25-19-11-10-18(27(30)31)13-20(19)26(22)29/h1-13,29H,(H,24,28)/b12-3+
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Paratek Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa ExsA binding to DNA


J Med Chem 52: 5626-34 (2009)


Article DOI: 10.1021/jm9006577
BindingDB Entry DOI: 10.7270/Q2XD12KZ
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator ExsA


(Pseudomonas aeruginosa)
BDBM50378358
PNG
(CHEMBL572948)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)-c2nc3ccc(cc3n2O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C23H18N4O5/c1-32-19-10-2-15(3-11-19)4-13-22(28)24-17-7-5-16(6-8-17)23-25-20-12-9-18(27(30)31)14-21(20)26(23)29/h2-14,29H,1H3,(H,24,28)/b13-4+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Paratek Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa ExsA binding to DNA


J Med Chem 52: 5626-34 (2009)


Article DOI: 10.1021/jm9006577
BindingDB Entry DOI: 10.7270/Q2XD12KZ
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator ExsA


(Pseudomonas aeruginosa)
BDBM50378359
PNG
(CHEMBL575963)
Show SMILES Cc1cc2nc(-c3ccc(NC(=O)\C=C\c4ccc(F)cc4)cc3)n(O)c2cc1[N+]([O-])=O
Show InChI InChI=1S/C23H17FN4O4/c1-14-12-19-21(13-20(14)28(31)32)27(30)23(26-19)16-5-9-18(10-6-16)25-22(29)11-4-15-2-7-17(24)8-3-15/h2-13,30H,1H3,(H,25,29)/b11-4+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a



Paratek Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa ExsA binding to DNA


J Med Chem 52: 5626-34 (2009)


Article DOI: 10.1021/jm9006577
BindingDB Entry DOI: 10.7270/Q2XD12KZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%