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Compile Data Set for Download or QSAR

Found 20 hits of ic50 data for polymerid = 50000561,50005075   
Target
(Institution)
LigandTarget
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
Adenosylhomocysteinase


(Mus musculus)
BDBM50006222
PNG
((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Plasmodium falciparum 3D7)
BDBM50373101
PNG
(CHEMBL405186)
Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H14FN5O3/c12-11-15-9(13)6-10(16-11)17(3-14-6)5-1-4(2-18)7(19)8(5)20/h3-5,7-8,18-20H,1-2H2,(H2,13,15,16)/t4-,5-,7-,8+/m1/s1
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n/an/a 1.98E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SAHH


Bioorg Med Chem 16: 3809-15 (2008)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Plasmodium falciparum 3D7)
BDBM50373100
PNG
(CHEMBL262063)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)C1=C
Show InChI InChI=1S/C12H15N5O3/c1-5-6(2-18)9(19)10(20)8(5)17-4-16-7-11(13)14-3-15-12(7)17/h3-4,6,8-10,18-20H,1-2H2,(H2,13,14,15)/t6-,8+,9+,10-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SAHH


Bioorg Med Chem 16: 3809-15 (2008)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Plasmodium falciparum 3D7)
BDBM50135288
PNG
((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against P. falciparum S-adenosyl-L-homocysteine hydrolase


Bioorg Med Chem Lett 13: 3963-5 (2003)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Plasmodium falciparum 3D7)
BDBM50135288
PNG
((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SAHH


Bioorg Med Chem 16: 3809-15 (2008)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Plasmodium falciparum 3D7)
BDBM50373102
PNG
(CHEMBL261619)
Show SMILES Nc1nc(N)c2ncn([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C11H16N6O3/c12-9-6-10(16-11(13)15-9)17(3-14-6)5-1-4(2-18)7(19)8(5)20/h3-5,7-8,18-20H,1-2H2,(H4,12,13,15,16)/t4-,5-,7-,8+/m1/s1
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n/an/a 4.51E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SAHH


Bioorg Med Chem 16: 3809-15 (2008)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Plasmodium falciparum 3D7)
BDBM50135289
PNG
((1S,2R,3S,4R)-4-(6-Amino-2-fluoro-purin-9-yl)-cycl...)
Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H12FN5O3/c11-10-14-8(12)5-9(15-10)16(2-13-5)3-1-4(17)7(19)6(3)18/h2-4,6-7,17-19H,1H2,(H2,12,14,15)/t3-,4+,6+,7-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against P. falciparum S-adenosyl-L-homocysteine hydrolase


Bioorg Med Chem Lett 13: 3963-5 (2003)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Plasmodium falciparum 3D7)
BDBM50135289
PNG
((1S,2R,3S,4R)-4-(6-Amino-2-fluoro-purin-9-yl)-cycl...)
Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H12FN5O3/c11-10-14-8(12)5-9(15-10)16(2-13-5)3-1-4(17)7(19)6(3)18/h2-4,6-7,17-19H,1H2,(H2,12,14,15)/t3-,4+,6+,7-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SAHH


Bioorg Med Chem 16: 3809-15 (2008)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Plasmodium falciparum 3D7)
BDBM50088426
PNG
((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1
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n/an/a 5.70E+4n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SAHH


Bioorg Med Chem 16: 3809-15 (2008)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50023889
PNG
(5-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-pent-3-ene-...)
Show SMILES Nc1nccc2n(C\C=C/[C@@H](O)CO)cnc12
Show InChI InChI=1S/C11H14N4O2/c12-11-10-9(3-4-13-11)15(7-14-10)5-1-2-8(17)6-16/h1-4,7-8,16-17H,5-6H2,(H2,12,13)/b2-1-/t8-/m1/s1
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n/an/a 6.10E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50023879
PNG
(2-[2-(6-Amino-purin-9-yl)-ethylidene]-propane-1,3-...)
Show SMILES Nc1ncnc2n(CC=C(CO)CO)cnc12
Show InChI InChI=1S/C10H13N5O2/c11-9-8-10(13-5-12-9)15(6-14-8)2-1-7(3-16)4-17/h1,5-6,16-17H,2-4H2,(H2,11,12,13)
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50023882
PNG
(5-(6-Amino-purin-9-yl)-pent-3-ene-1,2-diol | CHEMB...)
Show SMILES Nc1ncnc2n(C\C=C/[C@@H](O)CO)cnc12
Show InChI InChI=1S/C10H13N5O2/c11-9-8-10(13-5-12-9)15(6-14-8)3-1-2-7(17)4-16/h1-2,5-7,16-17H,3-4H2,(H2,11,12,13)/b2-1-/t7-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50023886
PNG
(2-[2-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-ethylide...)
Show SMILES Nc1nccc2n(CC=C(CO)CO)cnc12
Show InChI InChI=1S/C11H14N4O2/c12-11-10-9(1-3-13-11)15(7-14-10)4-2-8(5-16)6-17/h1-3,7,16-17H,4-6H2,(H2,12,13)
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n/an/a 1.10E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50011148
PNG
((Z)-4-(6-Amino-purin-9-yl)-but-2-en-1-ol | 4-(6-Am...)
Show SMILES Nc1ncnc2n(C\C=C/CO)cnc12
Show InChI InChI=1S/C9H11N5O/c10-8-7-9(12-5-11-8)14(6-13-7)3-1-2-4-15/h1-2,5-6,15H,3-4H2,(H2,10,11,12)/b2-1-
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n/an/a 1.45E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50023887
PNG
(4-(6-Amino-purin-9-yl)-2-methyl-but-2-en-1-ol | CH...)
Show SMILES C\C(CO)=C\Cn1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H13N5O/c1-7(4-16)2-3-15-6-14-8-9(11)12-5-13-10(8)15/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13)/b7-2-
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50023885
PNG
(4-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-but-2-yn-1-...)
Show SMILES Nc1nccc2n(CC#CCO)cnc12
Show InChI InChI=1S/C10H10N4O/c11-10-9-8(3-4-12-10)14(7-13-9)5-1-2-6-15/h3-4,7,15H,5-6H2,(H2,11,12)
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50023877
PNG
(4-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-but-2-en-1-...)
Show SMILES Nc1nccc2n(C\C=C/CO)cnc12
Show InChI InChI=1S/C10H12N4O/c11-10-9-8(3-4-12-10)14(7-13-9)5-1-2-6-15/h1-4,7,15H,5-6H2,(H2,11,12)/b2-1-
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50011180
PNG
(4-(6-Amino-purin-9-yl)-but-2-en-1-ol | CHEMBL49917)
Show SMILES Nc1ncnc2n(C\C=C\CO)cnc12
Show InChI InChI=1S/C9H11N5O/c10-8-7-9(12-5-11-8)14(6-13-7)3-1-2-4-15/h1-2,5-6,15H,3-4H2,(H2,10,11,12)/b2-1+
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n/an/a 2.30E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50408389
PNG
(CHEMBL2051757)
Show SMILES Nc1ncnc2n(ccc12)[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C11H14N4O3/c12-10-5-1-2-15(11(5)14-4-13-10)6-3-7(16)9(18)8(6)17/h1-2,4,6-9,16-18H,3H2,(H2,12,13,14)/t6-,7+,8+,9-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against purified S-Adenosylhomocysteine hydrolase isolated from murine L929 cells


J Med Chem 40: 622-4 (1997)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50408388
PNG
(CHEMBL2051967)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H14N4O3/c12-10-5-1-2-15(11(5)14-4-13-10)6-3-7(16)9(18)8(6)17/h1-2,4,6-9,16-18H,3H2,(H2,12,13,14)/t6-,7+,8+,9-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against purified S-Adenosylhomocysteine hydrolase isolated from murine L929 cells


J Med Chem 40: 622-4 (1997)

More data for this
Ligand-Target Pair