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Compile Data Set for Download or QSAR

Found 135 hits from Boston College   
Target/Host
(Institution)
LigandTarget/Host
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


(Rattus norvegicus)
BDBM50316222
PNG
(CHEMBL1095280 | D-ERITADENINE | eritadenine)
Show SMILES Nc1ncnc2n(C[C@@H](O)[C@@H](O)C(O)=O)cnc12
Show InChI InChI=1S/C9H11N5O4/c10-7-5-8(12-2-11-7)14(3-13-5)1-4(15)6(16)9(17)18/h2-4,6,15-16H,1H2,(H,17,18)(H2,10,11,12)/t4-,6-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of S-adenosyl-L-homocysteine hydrolase in intact rat hepatocytes


Bioorg Med Chem 17: 6707-14 (2009)


Article DOI: 10.1016/j.bmc.2009.07.061
BindingDB Entry DOI: 10.7270/Q2JD4X0D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM60812
PNG
(BDBM86641 | US9173884, BC11-28)
Show SMILES Cc1ccccc1Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H19FN4/c1-17-7-5-6-10-22(17)29-24-23-21(18-8-3-2-4-9-18)15-30(25(23)28-16-27-24)20-13-11-19(26)12-14-20/h2-16H,1H3,(H,27,28,29)
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n/an/a 110n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM60812
PNG
(BDBM86641 | US9173884, BC11-28)
Show SMILES Cc1ccccc1Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H19FN4/c1-17-7-5-6-10-22(17)29-24-23-21(18-8-3-2-4-9-18)15-30(25(23)28-16-27-24)20-13-11-19(26)12-14-20/h2-16H,1H3,(H,27,28,29)
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n/an/a 110n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM86639
PNG
(BC11-15 | US9173884, BC11-15)
Show SMILES CCN(CC)C(=O)c1cc(nc2n(nc(C)c12)-c1ccccc1C)-c1cccs1
Show InChI InChI=1S/C23H24N4OS/c1-5-26(6-2)23(28)17-14-18(20-12-9-13-29-20)24-22-21(17)16(4)25-27(22)19-11-8-7-10-15(19)3/h7-14H,5-6H2,1-4H3
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n/an/a 180n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM86642
PNG
(BC11-38 | US9173884, BC11-38)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C15H16N2OS2/c1-2-9-20-15-16-12-8-10-19-13(12)14(18)17(15)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
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n/an/a 280n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM60808
PNG
(BDBM86640 | US9173884, BC11-19)
Show SMILES O=c1nc2sc3ccccc3n2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C15H9N3O2S/c19-13-16-14-18(11-8-4-5-9-12(11)21-14)15(20)17(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 330n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM60808
PNG
(BDBM86640 | US9173884, BC11-19)
Show SMILES O=c1nc2sc3ccccc3n2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C15H9N3O2S/c19-13-16-14-18(11-8-4-5-9-12(11)21-14)15(20)17(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 330n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM86643
PNG
(BC11-38-1 | US9173884, BC11-38-1)
Show SMILES CCCCSc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H18N2OS2/c1-2-3-10-21-16-17-13-9-11-20-14(13)15(19)18(16)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
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n/an/a 400n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50316223
PNG
(3-(6-Amino-purin-9-ylmethyl)-5-cyclohexylmethoxy-b...)
Show SMILES Nc1ncnc2n(Cc3cc(OCC4CCCCC4)cc(O)c3O)cnc12
Show InChI InChI=1S/C19H23N5O3/c20-18-16-19(22-10-21-18)24(11-23-16)8-13-6-14(7-15(25)17(13)26)27-9-12-4-2-1-3-5-12/h6-7,10-12,25-26H,1-5,8-9H2,(H2,20,21,22)
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n/an/a 400n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of S-adenosyl-L-homocysteine hydrolase after 10 mins by scintillation counting


Bioorg Med Chem 17: 6707-14 (2009)


Article DOI: 10.1016/j.bmc.2009.07.061
BindingDB Entry DOI: 10.7270/Q2JD4X0D
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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n/an/a 900n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of S-adenosyl-L-homocysteine hydrolase


Bioorg Med Chem 17: 6707-14 (2009)


Article DOI: 10.1016/j.bmc.2009.07.061
BindingDB Entry DOI: 10.7270/Q2JD4X0D
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50293592
PNG
(4-(2-Aminothiazol-4-yl)phenol | 4-(2-amino-1,3-thi...)
Show SMILES Nc1nc(cs1)-c1ccc(O)cc1
Show InChI InChI=1S/C9H8N2OS/c10-9-11-8(5-13-9)6-1-3-7(12)4-2-6/h1-5,12H,(H2,10,11)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry


Bioorg Med Chem 17: 3916-22 (2009)


Article DOI: 10.1016/j.bmc.2009.04.030
BindingDB Entry DOI: 10.7270/Q25T3KGW
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM18137
PNG
(AMP | CHEMBL752 | [(2R,3S,4R,5R)-5-adenin-9-yl-3,4...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry


Bioorg Med Chem 17: 3916-22 (2009)


Article DOI: 10.1016/j.bmc.2009.04.030
BindingDB Entry DOI: 10.7270/Q25T3KGW
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM18137
PNG
(AMP | CHEMBL752 | [(2R,3S,4R,5R)-5-adenin-9-yl-3,4...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig kidney fructose-1,6-bisphosphatase expressed in Escherichia coli BL21 (DE3) assessed as reduction of NADP+ to NADPH by phosphogluco...


Eur J Med Chem 45: 1478-84 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.055
BindingDB Entry DOI: 10.7270/Q2445MMN
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50316378
PNG
(1,1'-(1,3,7,9-Tetrahydroxydibenzofuran-2,6-diyl)bi...)
Show SMILES CC(C)CC(=O)c1c(O)cc2oc3c(C(=O)CC(C)C)c(O)cc(O)c3c2c1O
Show InChI InChI=1S/C22H24O7/c1-9(2)5-11(23)17-15(27)8-16-20(21(17)28)19-14(26)7-13(25)18(22(19)29-16)12(24)6-10(3)4/h7-10,25-28H,5-6H2,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig kidney fructose-1,6-bisphosphatase expressed in Escherichia coli BL21 (DE3) assessed as reduction of NADP+ to NADPH by phosphogluco...


Eur J Med Chem 45: 1478-84 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.055
BindingDB Entry DOI: 10.7270/Q2445MMN
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM60811
PNG
(US9173884, BC11-19-1)
Show SMILES COc1ccc2c(c1)sc1nc(=O)n(Cc3ccccc3)c(=O)n21
Show InChI InChI=1S/C17H13N3O3S/c1-23-12-7-8-13-14(9-12)24-16-18-15(21)19(17(22)20(13)16)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM86644
PNG
(BC11-38-2 | US9173884, BC11-38-2)
Show SMILES CCC(C)Sc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H18N2OS2/c1-3-11(2)21-16-17-13-9-10-20-14(13)15(19)18(16)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM86644
PNG
(BC11-38-2 | US9173884, BC11-38-2)
Show SMILES CCC(C)Sc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H18N2OS2/c1-3-11(2)21-16-17-13-9-10-20-14(13)15(19)18(16)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50316379
PNG
(1,1'-(1,3,7,9-Tetrahydroxydibenzofuran-2,6-diyl)bi...)
Show SMILES CCC(C)C(=O)c1c(O)cc2oc3c(C(=O)C(C)CC)c(O)cc(O)c3c2c1O
Show InChI InChI=1S/C22H24O7/c1-5-9(3)19(26)16-13(25)8-14-18(21(16)28)15-11(23)7-12(24)17(22(15)29-14)20(27)10(4)6-2/h7-10,23-25,28H,5-6H2,1-4H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig kidney fructose-1,6-bisphosphatase expressed in Escherichia coli BL21 (DE3) assessed as reduction of NADP+ to NADPH by phosphogluco...


Eur J Med Chem 45: 1478-84 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.055
BindingDB Entry DOI: 10.7270/Q2445MMN
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC
Show InChI InChI=1S/C16H18N2O2S2/c1-3-9-22-16-17-11-8-10-21-14(11)15(19)18(16)12-6-4-5-7-13(12)20-2/h4-7H,3,8-10H2,1-2H3
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n/an/a 5.80E+3n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50316379
PNG
(1,1'-(1,3,7,9-Tetrahydroxydibenzofuran-2,6-diyl)bi...)
Show SMILES CCC(C)C(=O)c1c(O)cc2oc3c(C(=O)C(C)CC)c(O)cc(O)c3c2c1O
Show InChI InChI=1S/C22H24O7/c1-5-9(3)19(26)16-13(25)8-14-18(21(16)28)15-11(23)7-12(24)17(22(15)29-14)20(27)10(4)6-2/h7-10,23-25,28H,5-6H2,1-4H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase expressed in Escherichia coli BL21 (DE3) assessed as reduction of NADP+ to NADPH by phosphogluc...


Eur J Med Chem 45: 1478-84 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.055
BindingDB Entry DOI: 10.7270/Q2445MMN
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50293581
PNG
(4-(2-(3-Hydroxyphenylamino)thiazol-4-yl)benzene-1,...)
Show SMILES Oc1cccc(Nc2nc(cs2)-c2ccc(O)cc2O)c1
Show InChI InChI=1S/C15H12N2O3S/c18-10-3-1-2-9(6-10)16-15-17-13(8-21-15)12-5-4-11(19)7-14(12)20/h1-8,18-20H,(H,16,17)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry


Bioorg Med Chem 17: 3916-22 (2009)


Article DOI: 10.1016/j.bmc.2009.04.030
BindingDB Entry DOI: 10.7270/Q25T3KGW
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM86645
PNG
(BC11-38-3 | US9173884, BC11-38-3)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccc(C)cc1
Show InChI InChI=1S/C16H18N2OS2/c1-3-9-21-16-17-13-8-10-20-14(13)15(19)18(16)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50316378
PNG
(1,1'-(1,3,7,9-Tetrahydroxydibenzofuran-2,6-diyl)bi...)
Show SMILES CC(C)CC(=O)c1c(O)cc2oc3c(C(=O)CC(C)C)c(O)cc(O)c3c2c1O
Show InChI InChI=1S/C22H24O7/c1-9(2)5-11(23)17-15(27)8-16-20(21(17)28)19-14(26)7-13(25)18(22(19)29-16)12(24)6-10(3)4/h7-10,25-28H,5-6H2,1-4H3
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n/an/a 8.10E+3n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase expressed in Escherichia coli BL21 (DE3) assessed as reduction of NADP+ to NADPH by phosphogluc...


Eur J Med Chem 45: 1478-84 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.055
BindingDB Entry DOI: 10.7270/Q2445MMN
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | [(2R,3S,4R,5R)-5-adenin-9-yl-3,4...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 9.80E+3n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase expressed in Escherichia coli BL21 (DE3) assessed as reduction of NADP+ to NADPH by phosphogluc...


Eur J Med Chem 45: 1478-84 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.055
BindingDB Entry DOI: 10.7270/Q2445MMN
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC
Show InChI InChI=1S/C16H18N2O2S2/c1-3-9-22-16-17-11-8-10-21-14(11)15(19)18(16)12-6-4-5-7-13(12)20-2/h4-7H,3,8-10H2,1-2H3
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n/an/a 9.90E+3n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM60808
PNG
(BDBM86640 | US9173884, BC11-19)
Show SMILES O=c1nc2sc3ccccc3n2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C15H9N3O2S/c19-13-16-14-18(11-8-4-5-9-12(11)21-14)15(20)17(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50293578
PNG
(4-(2-(4-Hydroxyphenylamino)thiazol-4-yl)benzene-1,...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12N2O3S/c18-10-3-1-9(2-4-10)16-15-17-13(8-21-15)12-6-5-11(19)7-14(12)20/h1-8,18-20H,(H,16,17)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry


Bioorg Med Chem 17: 3916-22 (2009)


Article DOI: 10.1016/j.bmc.2009.04.030
BindingDB Entry DOI: 10.7270/Q25T3KGW
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50293580
PNG
(3-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)phenol | C...)
Show SMILES Oc1ccc(cc1)-c1csc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C15H12N2O2S/c18-12-6-4-10(5-7-12)14-9-20-15(17-14)16-11-2-1-3-13(19)8-11/h1-9,18-19H,(H,16,17)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry


Bioorg Med Chem 17: 3916-22 (2009)


Article DOI: 10.1016/j.bmc.2009.04.030
BindingDB Entry DOI: 10.7270/Q25T3KGW
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50293583
PNG
(2-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)phenol | C...)
Show SMILES Oc1ccc(cc1)-c1csc(Nc2ccccc2O)n1
Show InChI InChI=1S/C15H12N2O2S/c18-11-7-5-10(6-8-11)13-9-20-15(17-13)16-12-3-1-2-4-14(12)19/h1-9,18-19H,(H,16,17)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry


Bioorg Med Chem 17: 3916-22 (2009)


Article DOI: 10.1016/j.bmc.2009.04.030
BindingDB Entry DOI: 10.7270/Q25T3KGW
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM86644
PNG
(BC11-38-2 | US9173884, BC11-38-2)
Show SMILES CCC(C)Sc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H18N2OS2/c1-3-11(2)21-16-17-13-9-10-20-14(13)15(19)18(16)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
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n/an/a 1.84E+4n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50293596
PNG
(CHEMBL563935 | methyl 4-ethyl-5-methyl-2-(3-(pyrid...)
Show SMILES CCc1c(C)sc(NC(=S)NCc2ccccn2)c1C(=O)OC
Show InChI InChI=1S/C16H19N3O2S2/c1-4-12-10(2)23-14(13(12)15(20)21-3)19-16(22)18-9-11-7-5-6-8-17-11/h5-8H,4,9H2,1-3H3,(H2,18,19,22)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry


Bioorg Med Chem 17: 3916-22 (2009)


Article DOI: 10.1016/j.bmc.2009.04.030
BindingDB Entry DOI: 10.7270/Q25T3KGW
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50293584
PNG
(4-(2-(2-Hydroxyphenylamino)thiazol-4-yl)benzene-1,...)
Show SMILES Oc1ccc(-c2csc(Nc3ccccc3O)n2)c(O)c1
Show InChI InChI=1S/C15H12N2O3S/c18-9-5-6-10(14(20)7-9)12-8-21-15(17-12)16-11-3-1-2-4-13(11)19/h1-8,18-20H,(H,16,17)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry


Bioorg Med Chem 17: 3916-22 (2009)


Article DOI: 10.1016/j.bmc.2009.04.030
BindingDB Entry DOI: 10.7270/Q25T3KGW
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM86645
PNG
(BC11-38-3 | US9173884, BC11-38-3)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccc(C)cc1
Show InChI InChI=1S/C16H18N2OS2/c1-3-9-21-16-17-13-8-10-20-14(13)15(19)18(16)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3
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n/an/a 2.13E+4n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 4A10


(Homo sapiens (human))
BDBM86644
PNG
(BC11-38-2 | US9173884, BC11-38-2)
Show SMILES CCC(C)Sc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H18N2OS2/c1-3-11(2)21-16-17-13-9-10-20-14(13)15(19)18(16)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
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n/an/a 2.33E+4n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 6C (PDE6C)


(Homo sapiens (Human))
BDBM86639
PNG
(BC11-15 | US9173884, BC11-15)
Show SMILES CCN(CC)C(=O)c1cc(nc2n(nc(C)c12)-c1ccccc1C)-c1cccs1
Show InChI InChI=1S/C23H24N4OS/c1-5-26(6-2)23(28)17-14-18(20-12-9-13-29-20)24-22-21(17)16(4)25-27(22)19-11-8-7-10-15(19)3/h7-14H,5-6H2,1-4H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50293572
PNG
(4-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)benzenesul...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H13N3O3S2/c16-23(20,21)13-7-3-11(4-8-13)17-15-18-14(9-22-15)10-1-5-12(19)6-2-10/h1-9,19H,(H,17,18)(H2,16,20,21)
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n/an/a 3.16E+4n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry


Bioorg Med Chem 17: 3916-22 (2009)


Article DOI: 10.1016/j.bmc.2009.04.030
BindingDB Entry DOI: 10.7270/Q25T3KGW
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50293572
PNG
(4-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)benzenesul...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H13N3O3S2/c16-23(20,21)13-7-3-11(4-8-13)17-15-18-14(9-22-15)10-1-5-12(19)6-2-10/h1-9,19H,(H,17,18)(H2,16,20,21)
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n/an/a 3.16E+4n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry


Bioorg Med Chem 17: 3916-22 (2009)


Article DOI: 10.1016/j.bmc.2009.04.030
BindingDB Entry DOI: 10.7270/Q25T3KGW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM86639
PNG
(BC11-15 | US9173884, BC11-15)
Show SMILES CCN(CC)C(=O)c1cc(nc2n(nc(C)c12)-c1ccccc1C)-c1cccs1
Show InChI InChI=1S/C23H24N4OS/c1-5-26(6-2)23(28)17-14-18(20-12-9-13-29-20)24-22-21(17)16(4)25-27(22)19-11-8-7-10-15(19)3/h7-14H,5-6H2,1-4H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50293579
PNG
(3-(4-Phenylthiazol-2-ylamino)phenol | CHEMBL554135)
Show SMILES Oc1cccc(Nc2nc(cs2)-c2ccccc2)c1
Show InChI InChI=1S/C15H12N2OS/c18-13-8-4-7-12(9-13)16-15-17-14(10-19-15)11-5-2-1-3-6-11/h1-10,18H,(H,16,17)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry


Bioorg Med Chem 17: 3916-22 (2009)


Article DOI: 10.1016/j.bmc.2009.04.030
BindingDB Entry DOI: 10.7270/Q25T3KGW
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM86643
PNG
(BC11-38-1 | US9173884, BC11-38-1)
Show SMILES CCCCSc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H18N2OS2/c1-2-3-10-21-16-17-13-9-11-20-14(13)15(19)18(16)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50240866
PNG
((-)-ilimaquinone | 2-Hydroxy-5-methoxy-3-((1R,2S,4...)
Show SMILES COC1=CC(=O)C(=O)C(C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@H]2CCCC3=C)C1=O
Show InChI InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h11,14-15,18H,1,6-10,12H2,2-5H3/t14-,15?,18+,21+,22+/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of S-adenosyl-L-homocysteine hydrolase after 10 mins by scintillation counting


Bioorg Med Chem 17: 6707-14 (2009)


Article DOI: 10.1016/j.bmc.2009.07.061
BindingDB Entry DOI: 10.7270/Q2JD4X0D
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM86639
PNG
(BC11-15 | US9173884, BC11-15)
Show SMILES CCN(CC)C(=O)c1cc(nc2n(nc(C)c12)-c1ccccc1C)-c1cccs1
Show InChI InChI=1S/C23H24N4OS/c1-5-26(6-2)23(28)17-14-18(20-12-9-13-29-20)24-22-21(17)16(4)25-27(22)19-11-8-7-10-15(19)3/h7-14H,5-6H2,1-4H3
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n/an/a 4.30E+4n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM86639
PNG
(BC11-15 | US9173884, BC11-15)
Show SMILES CCN(CC)C(=O)c1cc(nc2n(nc(C)c12)-c1ccccc1C)-c1cccs1
Show InChI InChI=1S/C23H24N4OS/c1-5-26(6-2)23(28)17-14-18(20-12-9-13-29-20)24-22-21(17)16(4)25-27(22)19-11-8-7-10-15(19)3/h7-14H,5-6H2,1-4H3
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n/an/a 4.30E+4n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50293586
PNG
(4-(2-(3-Nitrophenylamino)thiazol-4-yl)phenol | CHE...)
Show SMILES Oc1ccc(cc1)-c1csc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H11N3O3S/c19-13-6-4-10(5-7-13)14-9-22-15(17-14)16-11-2-1-3-12(8-11)18(20)21/h1-9,19H,(H,16,17)
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n/an/a 4.80E+4n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry


Bioorg Med Chem 17: 3916-22 (2009)


Article DOI: 10.1016/j.bmc.2009.04.030
BindingDB Entry DOI: 10.7270/Q25T3KGW
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50293577
PNG
(4-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)phenol | C...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H12N2O2S/c18-12-5-1-10(2-6-12)14-9-20-15(17-14)16-11-3-7-13(19)8-4-11/h1-9,18-19H,(H,16,17)
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n/an/a 4.80E+4n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry


Bioorg Med Chem 17: 3916-22 (2009)


Article DOI: 10.1016/j.bmc.2009.04.030
BindingDB Entry DOI: 10.7270/Q25T3KGW
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50293591
PNG
(3-(4-(4-hydroxyphenyl)thiazol-2-ylamino)benzoic ac...)
Show SMILES OC(=O)c1cccc(Nc2nc(cs2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C16H12N2O3S/c19-13-6-4-10(5-7-13)14-9-22-16(18-14)17-12-3-1-2-11(8-12)15(20)21/h1-9,19H,(H,17,18)(H,20,21)
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n/an/a 4.80E+4n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry


Bioorg Med Chem 17: 3916-22 (2009)


Article DOI: 10.1016/j.bmc.2009.04.030
BindingDB Entry DOI: 10.7270/Q25T3KGW
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50293575
PNG
(3-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)benzenesul...)
Show SMILES NS(=O)(=O)c1cccc(Nc2nc(cs2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C15H13N3O3S2/c16-23(20,21)13-3-1-2-11(8-13)17-15-18-14(9-22-15)10-4-6-12(19)7-5-10/h1-9,19H,(H,17,18)(H2,16,20,21)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry


Bioorg Med Chem 17: 3916-22 (2009)


Article DOI: 10.1016/j.bmc.2009.04.030
BindingDB Entry DOI: 10.7270/Q25T3KGW
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B


(Homo sapiens (human))
BDBM60808
PNG
(BDBM86640 | US9173884, BC11-19)
Show SMILES O=c1nc2sc3ccccc3n2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C15H9N3O2S/c19-13-16-14-18(11-8-4-5-9-12(11)21-14)15(20)17(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 5.10E+4n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 6C (PDE6C)


(Homo sapiens (Human))
BDBM86644
PNG
(BC11-38-2 | US9173884, BC11-38-2)
Show SMILES CCC(C)Sc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H18N2OS2/c1-3-11(2)21-16-17-13-9-10-20-14(13)15(19)18(16)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
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n/an/a 5.12E+4n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50293573
PNG
(4-(4-(2,4-dihydroxyphenyl)thiazol-2-ylamino)benzen...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H13N3O4S2/c16-24(21,22)11-4-1-9(2-5-11)17-15-18-13(8-23-15)12-6-3-10(19)7-14(12)20/h1-8,19-20H,(H,17,18)(H2,16,21,22)
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n/an/a 5.50E+4n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry


Bioorg Med Chem 17: 3916-22 (2009)


Article DOI: 10.1016/j.bmc.2009.04.030
BindingDB Entry DOI: 10.7270/Q25T3KGW
More data for this
Ligand-Target Pair
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