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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'NAD kinase (NADK)' AND taxid = 93062   
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
NAD kinase (NADK)


(Staphylococcus aureus)
BDBM141970
PNG
(US8927520, 19)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNCC#Cc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)C(O)[C@@H]2O)C(O)[C@@H]1O
Show InChI InChI=1/C23H27N11O7/c24-18-12-20(29-6-27-18)33(8-31-12)22-16(38)14(36)9(40-22)4-26-3-1-2-11-32-13-19(25)28-7-30-21(13)34(11)23-17(39)15(37)10(5-35)41-23/h6-10,14-17,22-23,26,35-39H,3-5H2,(H2,24,27,29)(H2,25,28,30)/t9-,10-,14?,15?,16+,17+,22-,23-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
5.00E+3n/an/an/an/an/an/an/an/a



Institut Pasteur; Institut Curie

US Patent


Assay Description
For inhibitor assays, IC50 was determined, in the presence of 1 mM NAD and 4 mM ATP (for LmNADK1) or 2 mM ATP (for SaNADK). Dixon plots were used to ...


US Patent US8927520 (2015)

More data for this
Ligand-Target Pair
NAD kinase (NADK)


(Staphylococcus aureus)
BDBM141971
PNG
(US8927520, 22)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COCC#Cc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)C(O)[C@@H]2O)C(O)[C@@H]1O
Show InChI InChI=1/C23H26N10O8/c24-18-12-20(28-6-26-18)32(8-30-12)22-16(37)15(36)10(41-22)5-39-3-1-2-11-31-13-19(25)27-7-29-21(13)33(11)23-17(38)14(35)9(4-34)40-23/h6-10,14-17,22-23,34-38H,3-5H2,(H2,24,26,28)(H2,25,27,29)/t9-,10-,14?,15?,16+,17+,22-,23-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
1.50E+4n/an/an/an/an/an/an/an/a



Institut Pasteur; Institut Curie

US Patent


Assay Description
For inhibitor assays, IC50 was determined, in the presence of 1 mM NAD and 4 mM ATP (for LmNADK1) or 2 mM ATP (for SaNADK). Dixon plots were used to ...


US Patent US8927520 (2015)

More data for this
Ligand-Target Pair
NAD kinase (NADK)


(Staphylococcus aureus)
BDBM141969
PNG
(US8927520, 17)
Show SMILES NC[C@H]1O[C@H]([C@@H](O)C1O)n1c(SCC(=O)NC[C@H]2O[C@H]([C@@H](O)C2O)n2cnc3c(N)ncnc23)nc2c(N)ncnc12
Show InChI InChI=1/C22H28N12O7S/c23-1-7-12(36)15(39)21(40-7)34-19-11(17(25)28-5-30-19)32-22(34)42-3-9(35)26-2-8-13(37)14(38)20(41-8)33-6-31-10-16(24)27-4-29-18(10)33/h4-8,12-15,20-21,36-39H,1-3,23H2,(H,26,35)(H2,24,27,29)(H2,25,28,30)/t7-,8-,12?,13?,14+,15+,20-,21-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
5.00E+4n/an/an/an/an/an/an/an/a



Institut Pasteur; Institut Curie

US Patent


Assay Description
For inhibitor assays, IC50 was determined, in the presence of 1 mM NAD and 4 mM ATP (for LmNADK1) or 2 mM ATP (for SaNADK). Dixon plots were used to ...


US Patent US8927520 (2015)

More data for this
Ligand-Target Pair