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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'NAD synthetase'   
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 synthetase


(Homo sapiens (Human))
BDBM92599
PNG
(CHEMBL263057 | NAD Synthetase Inhibitor, 4)
Show SMILES COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCCOC(=O)Cc1ccc(cc1)[N+](C)(C)C
Show InChI InChI=1S/C35H43N2O5/c1-37(2,3)30-17-15-27(16-18-30)23-34(38)41-22-12-7-5-6-11-21-36-32-20-19-31(42-26-28-13-9-8-10-14-28)24-29(32)25-33(36)35(39)40-4/h8-10,13-20,24-25H,5-7,11-12,21-23,26H2,1-4H3/q+1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.18E+4n/an/an/an/a8.537



National Institutes of Health



Assay Description
Inhibition assay using NAD synthetase.


Citation and Details
More data for this
Ligand-Target Pair
NAD synthetase


(Homo sapiens (Human))
BDBM92597
PNG
(CHEMBL324501 | NAD Synthetase Inhibitor, 2)
Show SMILES C[N+](C)(C)c1ccc(CC(=O)OCCCCCCCCn2ccc3cc(OCc4ccccc4)ccc23)cc1
Show InChI InChI=1S/C34H43N2O3/c1-36(2,3)31-17-15-28(16-18-31)25-34(37)38-24-12-7-5-4-6-11-22-35-23-21-30-26-32(19-20-33(30)35)39-27-29-13-9-8-10-14-29/h8-10,13-21,23,26H,4-7,11-12,22,24-25,27H2,1-3H3/q+1
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AffyNet 
Article
PubMed
n/an/a 2.48E+4n/an/an/an/a8.537



National Institutes of Health



Assay Description
Inhibition assay using NAD synthetase.


Citation and Details
More data for this
Ligand-Target Pair
NAD synthetase


(Homo sapiens (Human))
BDBM92600
PNG
(CHEMBL419944 | NAD Synthetase Inhibitor, 5)
Show SMILES COC(=O)c1cc2ccccc2n1CCCCCCCCCOC(=O)Cc1ccc(cc1)[N+](C)(C)C
Show InChI InChI=1S/C30H41N2O4/c1-32(2,3)26-18-16-24(17-19-26)22-29(33)36-21-13-9-7-5-6-8-12-20-31-27-15-11-10-14-25(27)23-28(31)30(34)35-4/h10-11,14-19,23H,5-9,12-13,20-22H2,1-4H3/q+1
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PC cid
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Article
PubMed
n/an/a 5.78E+4n/an/an/an/a8.537



National Institutes of Health



Assay Description
Inhibition assay using NAD synthetase.


Citation and Details
More data for this
Ligand-Target Pair
NAD synthetase


(Homo sapiens (Human))
BDBM92598
PNG
(NAD Synthetase Inhibitor, 3)
Show SMILES COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCCOC(=O)Cc1ccc[n+](C)c1
Show InChI InChI=1S/C32H37N2O5/c1-33-17-11-14-26(23-33)20-31(35)38-19-10-5-3-4-9-18-34-29-16-15-28(39-24-25-12-7-6-8-13-25)21-27(29)22-30(34)32(36)37-2/h6-8,11-17,21-23H,3-5,9-10,18-20,24H2,1-2H3/q+1
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PC cid
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Article
PubMed
n/an/a 6.33E+4n/an/an/an/a8.537



National Institutes of Health



Assay Description
Inhibition assay using NAD synthetase.


Citation and Details
More data for this
Ligand-Target Pair