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Compile Data Set for Download or QSAR

Found 4 hits of ki for UniProtKB: P0A752   
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
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM50318652
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...)
Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1
Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
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PC cid
PC sid
PDB
UniChem
Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM50318652
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...)
Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1
Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
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PubMed
8.00E+3n/a 1.50E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM50318653
PNG
(3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)
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PC cid
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2.10E+4n/an/an/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM50318653
PNG
(3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
2.50E+4n/a 6.50E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
More data for this
Ligand-Target Pair