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PubMed code 23737523

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
Chlorite dismutase (HemQ)


(Staphylococcus aureus)
BDBM209868
PNG
(3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17...)
Show SMILES Cc1c(C=C)c2cc3[n-]c(cc4[n-]c(cc5nc(cc1n2)c(C=C)c5C)c(C)c4CCC(O)=O)c(CCC(O)=O)c3C
Show InChI InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42)/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/a 1.68E+3n/an/an/an/an/a



University of Notre Dame



Assay Description
Titrations using fluorescence spectroscopy were carried out on a Jobin Yvon Horiba FluoroMax-3 fluorimeter in scanning mode. Apo-HemQ (5 μM) was...


J Biol Chem 288: 23488-504 (2013)

More data for this
Ligand-Target Pair
Chlorite dismutase (HemQ)


(Staphylococcus aureus)
BDBM209868
PNG
(3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17...)
Show SMILES Cc1c(C=C)c2cc3[n-]c(cc4[n-]c(cc5nc(cc1n2)c(C=C)c5C)c(C)c4CCC(O)=O)c(CCC(O)=O)c3C
Show InChI InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42)/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/a 720n/an/an/an/an/a



University of Notre Dame



Assay Description
All UV-visible spectra were measured on a Varian Cary 50 spectrometer with temperature control from a Peltier cooler. The holo-enzyme was titrated in...


J Biol Chem 288: 23488-504 (2013)

More data for this
Ligand-Target Pair
Chlorite dismutase (HemQ)


(Staphylococcus aureus)
BDBM51757
PNG
(3-[(1Z,4Z,9Z,15Z)-18-(2-Carboxy-ethyl)-3,7,12,17-t...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O
Show InChI InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
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PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/an/a 2.21E+3n/an/an/an/an/a



University of Notre Dame



Assay Description
Titrations using fluorescence spectroscopy were carried out on a Jobin Yvon Horiba FluoroMax-3 fluorimeter in scanning mode. Apo-HemQ (5 μM) was...


J Biol Chem 288: 23488-504 (2013)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%