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Compile Data Set for Download or QSAR

Found 339 hits Enz. Inhib. hit(s) with Target = 'Adenosylhomocysteinase'   
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
Adenosylhomocysteinase


(Homo sapiens)
BDBM50240434
PNG
(2-[1-(6-Amino-purin-9-yl)-2-oxo-ethoxy]-propenal |...)
Show SMILES Nc1ncnc2n(cnc12)C(OC(=C)C=O)C=O
Show InChI InChI=1S/C10H9N5O3/c1-6(2-16)18-7(3-17)15-5-14-8-9(11)12-4-13-10(8)15/h2-5,7H,1H2,(H2,11,12,13)
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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of S-adenosyl homocysteine (SAH) hydrolase .


Bioorg Med Chem Lett 6: 1381-1386 (1996)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50105900
PNG
(CHEMBL11390)
Show SMILES Nc1ncnc2n(CC(O)CO)cnc12
Show InChI InChI=1/C8H11N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)1-5(15)2-14/h3-5,14-15H,1-2H2,(H2,9,10,11)
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1n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Reversible inhibition of rat liver S-adenosyl-L-homocysteine hydrolase


Bioorg Med Chem 23: 4952-69 (2015)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50050862
PNG
(CHEMBL3322562)
Show SMILES Cl.CNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C28H31Cl2N5O3.ClH/c1-31-13-14-32-27(36)18-34(19-28(37)33(2)35-16-20-5-3-4-6-21(20)17-35)25-15-23(30)9-12-26(25)38-24-10-7-22(29)8-11-24;/h3-12,15,31H,13-14,16-19H2,1-2H3,(H,32,36);1H
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1.5n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant S-adenosyl-L-homocysteine hydrolase assessed as AdoHcy hydrolysis activity by Lineweaver-Burk plot


Bioorg Med Chem Lett 24: 4336-40 (2014)

More data for this
Ligand-Target Pair
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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3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity of the compound was tested against L929 cells AdoHcy hydrolase activity


J Med Chem 37: 551-4 (1994)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50029130
PNG
(Adenosine dialdehyde | CHEMBL165876)
Show SMILES Nc1ncnc2n(cnc12)[C@H](O[C@H](CO)C=O)C=O
Show InChI InChI=1S/C10H11N5O4/c11-9-8-10(13-4-12-9)15(5-14-8)7(3-18)19-6(1-16)2-17/h1,3-7,17H,2H2,(H2,11,12,13)/t6-,7+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of S-adenosyl homocysteine (SAH) hydrolase .


Bioorg Med Chem Lett 6: 1381-1386 (1996)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
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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3.80n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy) rate of inactivation by NpcA


J Med Chem 35: 1782-91 (1992)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
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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3.80n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Time course of inactivation of bovine liver S-adenosyl-homocysteine hydrolase


J Med Chem 31: 500-3 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
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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3.80n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50367250
PNG
(3-DEAZAARISTEROMYCIN A | CHEMBL268272)
Show SMILES Nc1nccc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10-,11+/m1/s1
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against S-adenosyl-homocysteine hydrolase


J Med Chem 28: 471-7 (1985)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50034176
PNG
(4-(6-Amino-purin-9-yl)-cyclopentane-1,2,3-triol | ...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(O)C(O)C1O
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)
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11.1n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity of the compound was tested against L929 cells AdoHcy hydrolase activity


J Med Chem 37: 551-4 (1994)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosylhomocysteinase


(Homo sapiens)
BDBM50006218
PNG
((1R,2S,3R)-3-(6-amino-9H-purin-9-yl)cyclopentane-1...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h3-6,8,16-17H,1-2H2,(H2,11,12,13)/t5-,6-,8+/m1/s1
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12n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy).


J Med Chem 35: 1782-91 (1992)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Adenosylhomocysteinase


(Homo sapiens)
BDBM50006220
PNG
(3-(6-Amino-purin-9-yl)-5-vinyl-cyclopentane-1,2-di...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](C=C)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H15N5O2/c1-2-6-3-7(10(19)9(6)18)17-5-16-8-11(13)14-4-15-12(8)17/h2,4-7,9-10,18-19H,1,3H2,(H2,13,14,15)/t6-,7+,9+,10-/m0/s1
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22n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy).


J Med Chem 35: 1782-91 (1992)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50006221
PNG
(3-(6-Amino-purin-9-yl)-5-methyl-cyclopentane-1,2-d...)
Show SMILES C[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O2/c1-5-2-6(9(18)8(5)17)16-4-15-7-10(12)13-3-14-11(7)16/h3-6,8-9,17-18H,2H2,1H3,(H2,12,13,14)/t5-,6+,8+,9-/m0/s1
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27n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy).


J Med Chem 35: 1782-91 (1992)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Adenosylhomocysteinase


(Homo sapiens)
BDBM50405655
PNG
(CHEMBL147260)
Show SMILES Nc1nccc2n(cnc12)C1C=C[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H12N4O2/c12-11-9-6(3-4-13-11)15(5-14-9)7-1-2-8(16)10(7)17/h1-5,7-8,10,16-17H,(H2,12,13)/t7?,8-,10+/m1/s1
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35n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Time course of inactivation of bovine liver S-adenosyl-homocysteine hydrolase


J Med Chem 31: 500-3 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50280299
PNG
((2R,3R,4S)-2-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C/F)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1-/t6-,7-,10-/m1/s1
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39n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against recombinant rat liver S-adenosylhomocysteine hydrolase


Bioorg Med Chem Lett 2: 1741-1744 (1992)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50051436
PNG
((2R,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H](C=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h1-4,6-7,10,17-18H,(H2,11,12,13)/t4-,6+,7+,10+/m0/s1
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39n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards purified recombinant human placental S-adenosyl-L-homocysteine hydrolase


J Med Chem 39: 2347-53 (1996)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50051435
PNG
(5'-Dehydroadenosine | 5'-deoxy-5'-oxoadenosine | 9...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](C=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h1-4,6-7,10,17-18H,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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39n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of S-adenosyl-L-homocysteine hydrolase, inactivation rate constant.


J Med Chem 39: 4162-6 (1996)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50051435
PNG
(5'-Dehydroadenosine | 5'-deoxy-5'-oxoadenosine | 9...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](C=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h1-4,6-7,10,17-18H,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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39n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
concentration dependent inhibition of S-Adenosyl-homocysteine hydrolase was determined by Kitz and Wilson method


J Med Chem 40: 1608-18 (1997)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50046747
PNG
(2-(6-Amino-purin-9-yl)-5-fluoromethylene-tetrahydr...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C/F)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1-/t6-,7-,10+/m0/s1
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39n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant rat liver S-adenosyl-homocysteine hydrolase


J Med Chem 36: 883-7 (1993)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50051436
PNG
((2R,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H](C=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h1-4,6-7,10,17-18H,(H2,11,12,13)/t4-,6+,7+,10+/m0/s1
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39n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant rat liver S-adenosyl-homocysteine hydrolase


J Med Chem 36: 883-7 (1993)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50046748
PNG
(2-(6-Amino-purin-9-yl)-5-fluoromethylene-tetrahydr...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C\F)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1+/t6-,7-,10+/m0/s1
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40n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant rat liver S-adenosyl-homocysteine hydrolase


J Med Chem 36: 883-7 (1993)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50280301
PNG
((2R,3R,4S)-2-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C\F)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1+/t6-,7-,10-/m1/s1
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against recombinant rat liver S-adenosylhomocysteine hydrolase


Bioorg Med Chem Lett 2: 1741-1744 (1992)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50006215
PNG
((1'R,2'S,3'R)-9-(2',3'-dihydroxycyclopent-4'-enyl)...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H11N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h1-6,8,16-17H,(H2,11,12,13)/t5-,6-,8+/m1/s1
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41n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Time course of inactivation of bovine liver S-adenosyl-homocysteine hydrolase


J Med Chem 31: 500-3 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50051436
PNG
((2R,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H](C=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h1-4,6-7,10,17-18H,(H2,11,12,13)/t4-,6+,7+,10+/m0/s1
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43n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
concentration dependent inhibition of S-Adenosyl-homocysteine hydrolase was determined by Kitz and Wilson method


J Med Chem 40: 1608-18 (1997)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50051435
PNG
(5'-Dehydroadenosine | 5'-deoxy-5'-oxoadenosine | 9...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](C=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h1-4,6-7,10,17-18H,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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43n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards purified recombinant human placental S-adenosyl-L-homocysteine hydrolase


J Med Chem 39: 2347-53 (1996)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50051435
PNG
(5'-Dehydroadenosine | 5'-deoxy-5'-oxoadenosine | 9...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](C=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h1-4,6-7,10,17-18H,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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43n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant rat liver S-adenosyl-homocysteine hydrolase


J Med Chem 36: 883-7 (1993)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50006215
PNG
((1'R,2'S,3'R)-9-(2',3'-dihydroxycyclopent-4'-enyl)...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H11N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h1-6,8,16-17H,(H2,11,12,13)/t5-,6-,8+/m1/s1
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49n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy).


J Med Chem 35: 1782-91 (1992)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50008288
PNG
((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-((R)-1-hydroxy...)
Show SMILES C[C@@H](O)C1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H15N5O3/c1-5(18)6-2-7(10(20)9(6)19)17-4-16-8-11(13)14-3-15-12(8)17/h2-5,7,9-10,18-20H,1H3,(H2,13,14,15)/t5-,7-,9-,10+/m1/s1
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86n/an/an/an/an/an/an/an/a



Toyo Jozo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound against L929 Cell S-adenosyl-L-homocysteine hydrolase


J Med Chem 35: 324-31 (1992)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50280300
PNG
((1R,2S,3R)-3-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C\C(=C/F)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H12FN5O2/c12-2-5-1-6(9(19)8(5)18)17-4-16-7-10(13)14-3-15-11(7)17/h2-4,6,8-9,18-19H,1H2,(H2,13,14,15)/b5-2+/t6-,8-,9+/m1/s1
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87n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against recombinant rat liver S-adenosylhomocysteine hydrolase


Bioorg Med Chem Lett 2: 1741-1744 (1992)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
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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90n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50369258
PNG
(CHEMBL606276)
Show SMILES CO\N=C\[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H14N6O4/c1-20-16-2-5-7(18)8(19)11(21-5)17-4-15-6-9(12)13-3-14-10(6)17/h2-5,7-8,11,18-19H,1H3,(H2,12,13,14)/b16-2+/t5-,7-,8-,11?/m1/s1
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95n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
concentration dependent inhibition of S-Adenosyl-homocysteine hydrolase was determined by Kitz and Wilson method


J Med Chem 40: 1608-18 (1997)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50368896
PNG
(CHEMBL608056)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](\C=C\I)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H12IN5O3/c12-2-1-5-7(18)8(19)11(20-5)17-4-16-6-9(13)14-3-15-10(6)17/h1-5,7-8,11,18-19H,(H2,13,14,15)/b2-1+/t5-,7-,8-,11?/m1/s1
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96n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Tested for kinetic constant for the inhibition of recombinant human placental S-Adenosyl-L-homocysteine Hydrolase


J Med Chem 37: 3579-87 (1994)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50369257
PNG
(CHEMBL605902)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](\C=N\OCc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H18N6O4/c18-15-12-16(20-8-19-15)23(9-21-12)17-14(25)13(24)11(27-17)6-22-26-7-10-4-2-1-3-5-10/h1-6,8-9,11,13-14,17,24-25H,7H2,(H2,18,19,20)/b22-6+/t11-,13-,14-,17?/m1/s1
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101n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
concentration dependent inhibition of S-Adenosyl-homocysteine hydrolase was determined by Kitz and Wilson method


J Med Chem 40: 1608-18 (1997)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
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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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against S-adenosyl-homocysteine hydrolase


J Med Chem 28: 471-7 (1985)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Adenosylhomocysteinase


(Homo sapiens)
BDBM50407233
PNG
(CHEMBL2092790)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](\C=C\Cl)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H12ClN5O3/c12-2-1-5-7(18)8(19)11(20-5)17-4-16-6-9(13)14-3-15-10(6)17/h1-5,7-8,11,18-19H,(H2,13,14,15)/b2-1+/t5-,7-,8-,11-/m1/s1
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110n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Tested for kinetic constant for the inhibition of recombinant human placental S-Adenosyl-L-homocysteine Hydrolase


J Med Chem 37: 3579-87 (1994)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
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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110n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50369255
PNG
(CHEMBL605900)
Show SMILES CCO\N=C\[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-21-17-3-6-8(19)9(20)12(22-6)18-5-16-7-10(13)14-4-15-11(7)18/h3-6,8-9,12,19-20H,2H2,1H3,(H2,13,14,15)/b17-3+/t6-,8-,9-,12?/m1/s1
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111n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
concentration dependent inhibition of S-Adenosyl-homocysteine hydrolase was determined by Kitz and Wilson method


J Med Chem 40: 1608-18 (1997)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50280298
PNG
((1R,2S,3R)-3-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C\C(=C\F)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H12FN5O2/c12-2-5-1-6(9(19)8(5)18)17-4-16-7-10(13)14-3-15-11(7)17/h2-4,6,8-9,18-19H,1H2,(H2,13,14,15)/b5-2-/t6-,8-,9+/m1/s1
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112n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against recombinant rat liver S-adenosylhomocysteine hydrolase


Bioorg Med Chem Lett 2: 1741-1744 (1992)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
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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125n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50407232
PNG
(CHEMBL2092789)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](\C=C\Br)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H12BrN5O3/c12-2-1-5-7(18)8(19)11(20-5)17-4-16-6-9(13)14-3-15-10(6)17/h1-5,7-8,11,18-19H,(H2,13,14,15)/b2-1+/t5-,7-,8-,11-/m1/s1
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134n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Tested for kinetic constant for the inhibition of recombinant human placental S-Adenosyl-L-homocysteine Hydrolase


J Med Chem 37: 3579-87 (1994)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50006223
PNG
(5-(6-Amino-purin-9-yl)-3-methyl-cyclopent-3-ene-1,...)
Show SMILES CC1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H13N5O2/c1-5-2-6(9(18)8(5)17)16-4-15-7-10(12)13-3-14-11(7)16/h2-4,6,8-9,17-18H,1H3,(H2,12,13,14)/t6-,8-,9+/m1/s1
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150n/an/an/an/an/an/an/an/a



Toyo Jozo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound against L929 Cell S-adenosyl-L-homocysteine hydrolase


J Med Chem 35: 324-31 (1992)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
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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160n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
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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160n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human S-adenosyl-L-homocysteine hydrolase


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

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosylhomocysteinase


(Homo sapiens)
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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166n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
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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170n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase


J Med Chem 31: 1729-38 (1988)

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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180n/an/an/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


(Homo sapiens)
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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200n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
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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200n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase


J Med Chem 31: 1729-38 (1988)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50408149
PNG
(CHEMBL2093112)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN=O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C10H12N6O4/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(20-10)1-15-19/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1
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224n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
concentration dependent inhibition of S-Adenosyl-homocysteine hydrolase was determined by Kitz and Wilson method


J Med Chem 40: 1608-18 (1997)

More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50051438
PNG
((1R,2R,3S,4R)-4-(6-Amino-purin-9-yl)-2,3-dihydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](C=O)[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/h2-6,8-9,18-19H,1H2,(H2,12,13,14)/t5-,6+,8+,9-/m0/s1
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273n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards purified recombinant human placental S-adenosyl-L-homocysteine hydrolase


J Med Chem 39: 2347-53 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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