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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Multifunctional protein ADE2'   
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
Multifunctional protein ADE2


(Gallus gallus)
BDBM50247810
PNG
(3-Nitro-1-(beta-D-ribofuranosyl)pyrrole 5'-phospha...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)n1ccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C9H13N2O9P/c12-7-6(4-19-21(16,17)18)20-9(8(7)13)10-2-1-5(3-10)11(14)15/h1-3,6-9,12-13H,4H2,(H2,16,17,18)/p-2/t6-,7-,8-,9-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Gallus gallus AIR carboxylase by CAIR decarboxylation assay


Citation and Details
More data for this
Ligand-Target Pair
Multifunctional protein ADE2


(Gallus gallus)
BDBM50247807
PNG
(((2R,3S,4R,5R)-5-(5-AMINO-4-NITRO-1H-IMIDAZOL-1-YL...)
Show SMILES Nc1c(ncn1[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)[N+]([O-])=O
Show InChI InChI=1S/C8H13N4O9P/c9-6-7(12(15)16)10-2-11(6)8-5(14)4(13)3(21-8)1-20-22(17,18)19/h2-5,8,13-14H,1,9H2,(H2,17,18,19)/p-2/t3-,4-,5-,8-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Gallus gallus AIR carboxylase by CAIR decarboxylation assay


Citation and Details
More data for this
Ligand-Target Pair
Multifunctional protein ADE2


(Gallus gallus)
BDBM50247824
PNG
(5-Amino-1-(beta-D-ribofuranosyl)-4-nitropyrazole 5...)
Show SMILES Nc1c(cnn1[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)[N+]([O-])=O
Show InChI InChI=1S/C8H13N4O9P/c9-7-3(12(15)16)1-10-11(7)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2,9H2,(H2,17,18,19)/p-2/t4-,5-,6-,8-/m1/s1
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390n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Gallus gallus AIR carboxylase by CAIR decarboxylation assay


Citation and Details
More data for this
Ligand-Target Pair
Multifunctional protein ADE2


(Gallus gallus)
BDBM50247808
PNG
(3-Nitro-1-(beta-D-ribofuranosyl)imidazole 5'-phosp...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cnc(c1)[N+]([O-])=O
Show InChI InChI=1S/C8H12N3O9P/c12-6-4(2-19-21(16,17)18)20-8(7(6)13)10-1-5(9-3-10)11(14)15/h1,3-4,6-8,12-13H,2H2,(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Gallus gallus AIR carboxylase by CAIR decarboxylation assay


Citation and Details
More data for this
Ligand-Target Pair
Multifunctional protein ADE2


(Gallus gallus)
BDBM50247825
PNG
(5-Amino-1-(beta-D-ribofuranosyl)-1,2,3-triazole-4-...)
Show SMILES Nc1c(nnn1[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)C([O-])=O
Show InChI InChI=1S/C8H13N4O9P/c9-6-3(8(15)16)10-11-12(6)7-5(14)4(13)2(21-7)1-20-22(17,18)19/h2,4-5,7,13-14H,1,9H2,(H,15,16)(H2,17,18,19)/p-3/t2-,4-,5-,7-/m1/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Gallus gallus AIR carboxylase by CAIR decarboxylation assay


Citation and Details
More data for this
Ligand-Target Pair
Multifunctional protein ADE2


(Gallus gallus)
BDBM50247823
PNG
(5-Amino-1-(beta-D-ribofuranosyl)pyrazole-4-carboxy...)
Show SMILES Nc1c(cnn1[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)C([O-])=O
Show InChI InChI=1S/C9H14N3O9P/c10-7-3(9(15)16)1-11-12(7)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2,10H2,(H,15,16)(H2,17,18,19)/p-3/t4-,5-,6-,8-/m1/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Gallus gallus AIR carboxylase by CAIR decarboxylation assay


Citation and Details
More data for this
Ligand-Target Pair
Multifunctional protein ADE2


(Gallus gallus)
BDBM50247822
PNG
(4-Nitro-1-(-beta-D-ribofuranosyl)pyrazole 5'-phosp...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(cn1)[N+]([O-])=O
Show InChI InChI=1S/C8H12N3O9P/c12-6-5(3-19-21(16,17)18)20-8(7(6)13)10-2-4(1-9-10)11(14)15/h1-2,5-8,12-13H,3H2,(H2,16,17,18)/p-2/t5-,6-,7-,8-/m1/s1
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2.20E+4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Gallus gallus AIR carboxylase by CAIR decarboxylation assay


Citation and Details
More data for this
Ligand-Target Pair
Multifunctional protein ADE2


(Gallus gallus)
BDBM50247809
PNG
(5-Amino-1-(beta-D-ribofuranosyl)imidazole-4-carbox...)
Show SMILES Nc1c(C=O)ncn1[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C9H14N3O8P/c10-8-4(1-13)11-3-12(8)9-7(15)6(14)5(20-9)2-19-21(16,17)18/h1,3,5-7,9,14-15H,2,10H2,(H2,16,17,18)/p-2/t5-,6-,7-,9-/m1/s1
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6.20E+4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Gallus gallus AIR carboxylase by CAIR decarboxylation assay


Citation and Details
More data for this
Ligand-Target Pair