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PubMed code 26010585

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
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
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50144206
PNG
((1S,2R,5S)-5-(6-Amino-purin-9-yl)-4-fluoro-3-hydro...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)C(CO)=C1F |c:19|
Show InChI InChI=1S/C11H12FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-3,7-9,18-20H,1H2,(H2,13,14,15)/t7-,8-,9+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...


J Med Chem 58: 5108-20 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00553
BindingDB Entry DOI: 10.7270/Q2T155DR
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50096906
PNG
(CHEMBL154745 | US10227373, Compound D-3-Deazaisone...)
Show SMILES Nc1nccc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |t:13|
Show InChI InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14)/t8-,10-,11+/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...


J Med Chem 58: 5108-20 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00553
BindingDB Entry DOI: 10.7270/Q2T155DR
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
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 |r,t:13|
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 470n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...


J Med Chem 58: 5108-20 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00553
BindingDB Entry DOI: 10.7270/Q2T155DR
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50096959
PNG
(CHEMBL310547)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C(CCO)[C@@H](O)[C@H]1O |t:13|
Show InChI InChI=1S/C12H15N5O3/c13-11-8-12(15-4-14-11)17(5-16-8)7-3-6(1-2-18)9(19)10(7)20/h3-5,7,9-10,18-20H,1-2H2,(H2,13,14,15)/t7-,9-,10+/m1/s1
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n/an/a 480n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...


J Med Chem 58: 5108-20 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00553
BindingDB Entry DOI: 10.7270/Q2T155DR
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50096962
PNG
(CHEMBL3580900)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)C(CCO)=C1F |r,c:20|
Show InChI InChI=1S/C12H14FN5O3/c13-6-5(1-2-19)9(20)10(21)8(6)18-4-17-7-11(14)15-3-16-12(7)18/h3-4,8-10,19-21H,1-2H2,(H2,14,15,16)/t8-,9-,10+/m1/s1
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n/an/a 910n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...


J Med Chem 58: 5108-20 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00553
BindingDB Entry DOI: 10.7270/Q2T155DR
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50096961
PNG
(CHEMBL80375)
Show SMILES Nc1nccc2n(cnc12)[C@@H]1C=C(CCO)[C@@H](O)[C@H]1O |t:13|
Show InChI InChI=1S/C13H16N4O3/c14-13-10-8(1-3-15-13)17(6-16-10)9-5-7(2-4-18)11(19)12(9)20/h1,3,5-6,9,11-12,18-20H,2,4H2,(H2,14,15)/t9-,11-,12+/m1/s1
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n/an/a 3.76E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...


J Med Chem 58: 5108-20 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00553
BindingDB Entry DOI: 10.7270/Q2T155DR
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50096912
PNG
(CHEMBL3580898)
Show SMILES OCC1=C(F)[C@H]([C@H](O)[C@@H]1O)n1ccc2c(O)ncnc12 |r,c:2|
Show InChI InChI=1S/C12H12FN3O4/c13-7-6(3-17)9(18)10(19)8(7)16-2-1-5-11(16)14-4-15-12(5)20/h1-2,4,8-10,17-19H,3H2,(H,14,15,20)/t8-,9-,10+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...


J Med Chem 58: 5108-20 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00553
BindingDB Entry DOI: 10.7270/Q2T155DR
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50096960
PNG
(CHEMBL3580899)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1C=C(CCO)[C@@H](O)[C@H]1O |r,t:13|
Show InChI InChI=1S/C13H16N4O3/c14-12-8-1-3-17(13(8)16-6-15-12)9-5-7(2-4-18)10(19)11(9)20/h1,3,5-6,9-11,18-20H,2,4H2,(H2,14,15,16)/t9-,10-,11+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...


J Med Chem 58: 5108-20 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00553
BindingDB Entry DOI: 10.7270/Q2T155DR
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50096908
PNG
(CHEMBL3580894)
Show SMILES CNc1ncnc2n(ccc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |r,t:14|
Show InChI InChI=1S/C13H16N4O3/c1-14-12-8-2-3-17(13(8)16-6-15-12)9-4-7(5-18)10(19)11(9)20/h2-4,6,9-11,18-20H,5H2,1H3,(H,14,15,16)/t9-,10-,11+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...


J Med Chem 58: 5108-20 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00553
BindingDB Entry DOI: 10.7270/Q2T155DR
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50096907
PNG
(DEAZANEPLANOCIN A)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |t:13|
Show InChI InChI=1S/C12H14N4O3/c13-11-7-1-2-16(12(7)15-5-14-11)8-3-6(4-17)9(18)10(8)19/h1-3,5,8-10,17-19H,4H2,(H2,13,14,15)/t8-,9-,10+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...


J Med Chem 58: 5108-20 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00553
BindingDB Entry DOI: 10.7270/Q2T155DR
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50096909
PNG
(CHEMBL3580895)
Show SMILES OCC1=C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(O)ncnc12 |r,t:2|
Show InChI InChI=1S/C12H13N3O4/c16-4-6-3-8(10(18)9(6)17)15-2-1-7-11(15)13-5-14-12(7)19/h1-3,5,8-10,16-18H,4H2,(H,13,14,19)/t8-,9-,10+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...


J Med Chem 58: 5108-20 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00553
BindingDB Entry DOI: 10.7270/Q2T155DR
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50096910
PNG
(CHEMBL3580896)
Show SMILES Nc1ncnc2n(ccc12)[C@H]1[C@H](O)[C@H](O)C(CO)=C1F |r,c:19|
Show InChI InChI=1S/C12H13FN4O3/c13-7-6(3-18)9(19)10(20)8(7)17-2-1-5-11(14)15-4-16-12(5)17/h1-2,4,8-10,18-20H,3H2,(H2,14,15,16)/t8-,9-,10+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...


J Med Chem 58: 5108-20 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00553
BindingDB Entry DOI: 10.7270/Q2T155DR
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50096911
PNG
(CHEMBL3580897)
Show SMILES CNc1ncnc2n(ccc12)[C@H]1[C@H](O)[C@H](O)C(CO)=C1F |r,c:20|
Show InChI InChI=1S/C13H15FN4O3/c1-15-12-6-2-3-18(13(6)17-5-16-12)9-8(14)7(4-19)10(20)11(9)21/h2-3,5,9-11,19-21H,4H2,1H3,(H,15,16,17)/t9-,10-,11+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...


J Med Chem 58: 5108-20 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00553
BindingDB Entry DOI: 10.7270/Q2T155DR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%