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Compile Data Set for Download or QSAR

Found 3 hits of ic50 data for polymerid = 50001048   
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
Adenylosuccinate synthetase isozyme 2


(Homo sapiens (Human))
BDBM50149229
PNG
(5-((1R,5S,7R,8S,9R)-8,9-Dihydroxy-2,4-dioxo-7-phos...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@@]2(NC(=O)N(CCC[C@H](N(O)C=O)C(O)=O)C2=O)[C@@H]1O
Show InChI InChI=1S/C13H20N3O13P/c17-5-16(24)6(10(20)21)2-1-3-15-11(22)13(14-12(15)23)9(19)8(18)7(29-13)4-28-30(25,26)27/h5-9,18-19,24H,1-4H2,(H,14,23)(H,20,21)(H2,25,26,27)/t6-,7+,8+,9+,13-/m0/s1
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PC sid
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n/an/a 43n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenylosuccinate synthetase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Adenylosuccinate synthetase isozyme 2


(Homo sapiens (Human))
BDBM50149203
PNG
(CHEMBL323799 | HYDANTOCIDIN-5'-MONOPHOSPHATE | HYD...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@@]2(NC(=O)NC2=O)[C@@H]1O |r|
Show InChI InChI=1S/C7H11N2O9P/c10-3-2(1-17-19(14,15)16)18-7(4(3)11)5(12)8-6(13)9-7/h2-4,10-11H,1H2,(H2,14,15,16)(H2,8,9,12,13)/t2-,3-,4-,7+/m1/s1
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Article
PubMed
n/an/a 675n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenylosuccinate synthetase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Adenylosuccinate synthetase isozyme 2


(Homo sapiens (Human))
BDBM50149248
PNG
((Formyl-hydroxy-amino)-acetic acid | CHEMBL331373 ...)
Show SMILES ON(CC(O)=O)C=O
Show InChI InChI=1S/C3H5NO4/c5-2-4(8)1-3(6)7/h2,8H,1H2,(H,6,7)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenylosuccinate synthetase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair