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Compile Data Set for Download or QSAR

Found 243 hits with Last Name = 'coste' and Initial = 'h'   
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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435764
PNG
(CHEMBL2392692)
Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F
Show InChI InChI=1S/C19H22BrF3N6O2/c1-11-26-17(24-2)28-18(27-11)29-7-5-12(6-8-29)16(30)25-10-13-3-4-14(20)9-15(13)31-19(21,22)23/h3-4,9,12H,5-8,10H2,1-2H3,(H,25,30)(H,24,26,27,28)
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n/an/a 0.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435765
PNG
(CHEMBL2392691)
Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(OC)cc1C(F)(F)F
Show InChI InChI=1S/C20H25F3N6O2/c1-12-26-18(24-2)28-19(27-12)29-8-6-13(7-9-29)17(30)25-11-14-4-5-15(31-3)10-16(14)20(21,22)23/h4-5,10,13H,6-9,11H2,1-3H3,(H,25,30)(H,24,26,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435756
PNG
(CHEMBL2392695)
Show SMILES CN(C)c1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H25F3N6O/c1-13-25-18(28(2)3)27-19(26-13)29-10-8-14(9-11-29)17(30)24-12-15-6-4-5-7-16(15)20(21,22)23/h4-7,14H,8-12H2,1-3H3,(H,24,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435753
PNG
(CHEMBL2392698)
Show SMILES COCCNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H27F3N6O2/c1-14-27-19(25-9-12-32-2)29-20(28-14)30-10-7-15(8-11-30)18(31)26-13-16-5-3-4-6-17(16)21(22,23)24/h3-6,15H,7-13H2,1-2H3,(H,26,31)(H,25,27,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435754
PNG
(CHEMBL2392697)
Show SMILES Cc1nc(nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C22H27F3N6O2/c1-15-27-20(29-21(28-15)31-10-12-33-13-11-31)30-8-6-16(7-9-30)19(32)26-14-17-4-2-3-5-18(17)22(23,24)25/h2-5,16H,6-14H2,1H3,(H,26,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435755
PNG
(CHEMBL2392696)
Show SMILES CC(C)Nc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H27F3N6O/c1-13(2)26-19-27-14(3)28-20(29-19)30-10-8-15(9-11-30)18(31)25-12-16-6-4-5-7-17(16)21(22,23)24/h4-7,13,15H,8-12H2,1-3H3,(H,25,31)(H,26,27,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435745
PNG
(CHEMBL2392706)
Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1OC(F)(F)F
Show InChI InChI=1S/C19H23F3N6O2/c1-12-25-17(23-2)27-18(26-12)28-9-7-13(8-10-28)16(29)24-11-14-5-3-4-6-15(14)30-19(20,21)22/h3-6,13H,7-11H2,1-2H3,(H,24,29)(H,23,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435753
PNG
(CHEMBL2392698)
Show SMILES COCCNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H27F3N6O2/c1-14-27-19(25-9-12-32-2)29-20(28-14)30-10-7-15(8-11-30)18(31)26-13-16-5-3-4-6-17(16)21(22,23)24/h3-6,15H,7-13H2,1-2H3,(H,26,31)(H,25,27,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435757
PNG
(CHEMBL2392694)
Show SMILES CNc1nc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H25F3N6O/c1-28-22-30-20(16-7-3-2-4-8-16)31-23(32-22)33-13-11-17(12-14-33)21(34)29-15-18-9-5-6-10-19(18)24(25,26)27/h2-10,17H,11-15H2,1H3,(H,29,34)(H,28,30,31,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435758
PNG
(CHEMBL2392693)
Show SMILES CNc1nc(nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F)C1CCCCC1
Show InChI InChI=1S/C24H31F3N6O/c1-28-22-30-20(16-7-3-2-4-8-16)31-23(32-22)33-13-11-17(12-14-33)21(34)29-15-18-9-5-6-10-19(18)24(25,26)27/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,29,34)(H,28,30,31,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50435764
PNG
(CHEMBL2392692)
Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F
Show InChI InChI=1S/C19H22BrF3N6O2/c1-11-26-17(24-2)28-18(27-11)29-7-5-12(6-8-29)16(30)25-10-13-3-4-14(20)9-15(13)31-19(21,22)23/h3-4,9,12H,5-8,10H2,1-2H3,(H,25,30)(H,24,26,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prior ...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435765
PNG
(CHEMBL2392691)
Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(OC)cc1C(F)(F)F
Show InChI InChI=1S/C20H25F3N6O2/c1-12-26-18(24-2)28-19(27-12)29-8-6-13(7-9-29)17(30)25-11-14-4-5-15(31-3)10-16(14)20(21,22)23/h4-5,10,13H,6-9,11H2,1-3H3,(H,25,30)(H,24,26,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435754
PNG
(CHEMBL2392697)
Show SMILES Cc1nc(nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C22H27F3N6O2/c1-15-27-20(29-21(28-15)31-10-12-33-13-11-31)30-8-6-16(7-9-30)19(32)26-14-17-4-2-3-5-18(17)22(23,24)25/h2-5,16H,6-14H2,1H3,(H,26,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435745
PNG
(CHEMBL2392706)
Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1OC(F)(F)F
Show InChI InChI=1S/C19H23F3N6O2/c1-12-25-17(23-2)27-18(26-12)28-9-7-13(8-10-28)16(29)24-11-14-5-3-4-6-15(14)30-19(20,21)22/h3-6,13H,7-11H2,1-2H3,(H,24,29)(H,23,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435764
PNG
(CHEMBL2392692)
Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F
Show InChI InChI=1S/C19H22BrF3N6O2/c1-11-26-17(24-2)28-18(27-11)29-7-5-12(6-8-29)16(30)25-10-13-3-4-14(20)9-15(13)31-19(21,22)23/h3-4,9,12H,5-8,10H2,1-2H3,(H,25,30)(H,24,26,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435760
PNG
(CHEMBL2392714)
Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H23F3N6O/c1-12-25-17(23-2)27-18(26-12)28-9-7-13(8-10-28)16(29)24-11-14-5-3-4-6-15(14)19(20,21)22/h3-6,13H,7-11H2,1-2H3,(H,24,29)(H,23,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Bos taurus)
BDBM50134098
PNG
((3aR,10S)-2-Cyclohexyl-10-(4-methoxy-phenyl)-3a,4,...)
Show SMILES COc1ccc(cc1)[C@H]1c2[nH]c3ccccc3c2Cc2c(O)n(C3CCCCC3)c(=O)n12
Show InChI InChI=1S/C26H27N3O3/c1-32-18-13-11-16(12-14-18)24-23-20(19-9-5-6-10-21(19)27-23)15-22-25(30)28(26(31)29(22)24)17-7-3-2-4-8-17/h5-6,9-14,17,24,27,30H,2-4,7-8,15H2,1H3/t24-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271572
PNG
(1-[4-Chlorophenylcarbonyl]-4-[4-(pyridin-4-yl)phen...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCN(Cc2ccc(cc2)-c2ccncc2)CC1
Show InChI InChI=1S/C23H22ClN3O/c24-22-7-5-21(6-8-22)23(28)27-15-13-26(14-16-27)17-18-1-3-19(4-2-18)20-9-11-25-12-10-20/h1-12H,13-17H2
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Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134125
PNG
((5R,6R)-6-Benzo[1,3]dioxol-5-yl-2-benzyl-2,3,6,7,1...)
Show SMILES O=C1CN(Cc2ccccc2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H23N3O4/c32-25-15-30(14-17-6-2-1-3-7-17)28(33)22-13-20-19-8-4-5-9-21(19)29-26(20)27(31(22)25)18-10-11-23-24(12-18)35-16-34-23/h1-12,22,27,29H,13-16H2/t22-,27-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134148
PNG
((5R,6R)-6-Benzo[1,3]dioxol-5-yl-2-butyl-2,3,6,7,12...)
Show SMILES CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C25H25N3O4/c1-2-3-10-27-13-22(29)28-19(25(27)30)12-17-16-6-4-5-7-18(16)26-23(17)24(28)15-8-9-20-21(11-15)32-14-31-20/h4-9,11,19,24,26H,2-3,10,12-14H2,1H3/t19-,24-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435738
PNG
(CHEMBL2392690)
Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(F)cc1C(F)(F)F
Show InChI InChI=1S/C19H22F4N6O/c1-11-26-17(24-2)28-18(27-11)29-7-5-12(6-8-29)16(30)25-10-13-3-4-14(20)9-15(13)19(21,22)23/h3-4,9,12H,5-8,10H2,1-2H3,(H,25,30)(H,24,26,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134148
PNG
((5R,6R)-6-Benzo[1,3]dioxol-5-yl-2-butyl-2,3,6,7,12...)
Show SMILES CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C25H25N3O4/c1-2-3-10-27-13-22(29)28-19(25(27)30)12-17-16-6-4-5-7-18(16)26-23(17)24(28)15-8-9-20-21(11-15)32-14-31-20/h4-9,11,19,24,26H,2-3,10,12-14H2,1H3/t19-,24-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435759
PNG
(CHEMBL2392715)
Show SMILES CCc1nc(NC)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H25F3N6O/c1-3-16-26-18(24-2)28-19(27-16)29-10-8-13(9-11-29)17(30)25-12-14-6-4-5-7-15(14)20(21,22)23/h4-7,13H,3,8-12H2,1-2H3,(H,25,30)(H,24,26,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134100
PNG
((3aR,10R)-2-Benzyl-10-(4-methoxy-phenyl)-3a,4,9,10...)
Show SMILES COc1ccc(cc1)[C@@H]1c2[nH]c3ccccc3c2Cc2c(O)n(Cc3ccccc3)c(=O)n12
Show InChI InChI=1S/C27H23N3O3/c1-33-19-13-11-18(12-14-19)25-24-21(20-9-5-6-10-22(20)28-24)15-23-26(31)29(27(32)30(23)25)16-17-7-3-2-4-8-17/h2-14,25,28,31H,15-16H2,1H3/t25-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134124
PNG
((6R,12aR)-2-Butyl-6-(4-methoxy-phenyl)-2,3,6,7,12,...)
Show SMILES CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)cc2)C1=O
Show InChI InChI=1S/C25H27N3O3/c1-3-4-13-27-15-22(29)28-21(25(27)30)14-19-18-7-5-6-8-20(18)26-23(19)24(28)16-9-11-17(31-2)12-10-16/h5-12,21,24,26H,3-4,13-15H2,1-2H3/t21-,24-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134143
PNG
((5R,6R)-6-Benzo[1,3]dioxol-5-yl-2-cyclohexyl-2,3,6...)
Show SMILES O=C1CN(C2CCCCC2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H27N3O4/c31-24-14-29(17-6-2-1-3-7-17)27(32)21-13-19-18-8-4-5-9-20(18)28-25(19)26(30(21)24)16-10-11-22-23(12-16)34-15-33-22/h4-5,8-12,17,21,26,28H,1-3,6-7,13-15H2/t21-,26-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM14777
PNG
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)
Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Bos taurus)
BDBM14777
PNG
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)
Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Bos taurus)
BDBM50134123
PNG
((6R,7R)-10-Butyl-6-(4-methoxy-phenyl)-5,6,9,10,11a...)
Show SMILES CCCCn1c(O)c2Cc3c([nH]c4ccccc34)C(c3ccc(OC)cc3)n2c1=O
Show InChI InChI=1S/C24H25N3O3/c1-3-4-13-26-23(28)20-14-18-17-7-5-6-8-19(17)25-21(18)22(27(20)24(26)29)15-9-11-16(30-2)12-10-15/h5-12,22,25,28H,3-4,13-14H2,1-2H3
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435750
PNG
(CHEMBL2392701)
Show SMILES CNc1cc(nc(C)n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H24F3N5O/c1-13-26-17(24-2)11-18(27-13)28-9-7-14(8-10-28)19(29)25-12-15-5-3-4-6-16(15)20(21,22)23/h3-6,11,14H,7-10,12H2,1-2H3,(H,25,29)(H,24,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2685
PNG
(3-(1H-indol-3-yl)-4-{1-[2-(piperidin-2-yl)ethyl]-1...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCC2CCCCN2)c2ccccc12 |c:5|
Show InChI InChI=1S/C27H26N4O2/c32-26-24(20-15-29-22-10-3-1-8-18(20)22)25(27(33)30-26)21-16-31(23-11-4-2-9-19(21)23)14-12-17-7-5-6-13-28-17/h1-4,8-11,15-17,28-29H,5-7,12-14H2,(H,30,32,33)
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Laboratoires Glaxo



Assay Description
The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi...


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134099
PNG
((3aR,10S)-2-Butyl-10-(4-methoxy-phenyl)-3a,4,9,10-...)
Show SMILES CCCCn1c(O)c2Cc3c([nH]c4ccccc34)[C@H](c3ccc(OC)cc3)n2c1=O |r|
Show InChI InChI=1S/C24H25N3O3/c1-3-4-13-26-23(28)20-14-18-17-7-5-6-8-19(17)25-21(18)22(27(20)24(26)29)15-9-11-16(30-2)12-10-15/h5-12,22,25,28H,3-4,13-14H2,1-2H3/t22-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134145
PNG
((R)-10-Benzo[1,3]dioxol-5-yl-2-benzyl-3a,4,9,10-te...)
Show SMILES Oc1c2Cc3c([nH]c4ccccc34)C(c3ccc4OCOc4c3)n2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H21N3O4/c31-26-21-13-19-18-8-4-5-9-20(18)28-24(19)25(17-10-11-22-23(12-17)34-15-33-22)30(21)27(32)29(26)14-16-6-2-1-3-7-16/h1-12,25,28,31H,13-15H2
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134106
PNG
((3aR,10S)-10-(4-Methoxy-phenyl)-2-(2-pyridin-2-yl-...)
Show SMILES COc1ccc(cc1)[C@H]1c2[nH]c3ccccc3c2Cc2c(O)n(CCc3ccccn3)c(=O)n12
Show InChI InChI=1S/C27H24N4O3/c1-34-19-11-9-17(10-12-19)25-24-21(20-7-2-3-8-22(20)29-24)16-23-26(32)30(27(33)31(23)25)15-13-18-6-4-5-14-28-18/h2-12,14,25,29,32H,13,15-16H2,1H3/t25-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134135
PNG
((5R,6R)-2-Cyclopropylmethyl-6-(4-methoxy-phenyl)-2...)
Show SMILES COc1ccc(cc1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC1CC1)CC2=O
Show InChI InChI=1S/C25H25N3O3/c1-31-17-10-8-16(9-11-17)24-23-19(18-4-2-3-5-20(18)26-23)12-21-25(30)27(13-15-6-7-15)14-22(29)28(21)24/h2-5,8-11,15,21,24,26H,6-7,12-14H2,1H3/t21-,24-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271622
PNG
(1-[4-Chlorophenylsulfonyl]-4-[4-(4-methylpiperazin...)
Show SMILES CN1CCN(CC1)c1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H29ClN4O2S/c1-24-10-14-26(15-11-24)21-6-2-19(3-7-21)18-25-12-16-27(17-13-25)30(28,29)22-8-4-20(23)5-9-22/h2-9H,10-18H2,1H3
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Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 6n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of bovine aorta PDE5 (Phosphodiesterse 5)


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Bos taurus)
BDBM50134107
PNG
((3aR,10R)-2-Cyclohexyl-10-(4-methoxy-phenyl)-3a,4,...)
Show SMILES COc1ccc(cc1)[C@@H]1c2[nH]c3ccccc3c2Cc2c(O)n(C3CCCCC3)c(=O)n12
Show InChI InChI=1S/C26H27N3O3/c1-32-18-13-11-16(12-14-18)24-23-20(19-9-5-6-10-21(19)27-23)15-22-25(30)28(26(31)29(22)24)17-7-3-2-4-8-17/h5-6,9-14,17,24,27,30H,2-4,7-8,15H2,1H3/t24-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134117
PNG
((3aR,10S)-2-Ethyl-10-(4-methoxy-phenyl)-3a,4,9,10-...)
Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@H](c3ccc(OC)cc3)n2c1=O
Show InChI InChI=1S/C22H21N3O3/c1-3-24-21(26)18-12-16-15-6-4-5-7-17(15)23-19(16)20(25(18)22(24)27)13-8-10-14(28-2)11-9-13/h4-11,20,23,26H,3,12H2,1-2H3/t20-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134128
PNG
((5R,6R)-6-Benzo[1,3]dioxol-5-yl-2-isopropyl-2,3,6,...)
Show SMILES CC(C)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C24H23N3O4/c1-13(2)26-11-21(28)27-18(24(26)29)10-16-15-5-3-4-6-17(15)25-22(16)23(27)14-7-8-19-20(9-14)31-12-30-19/h3-9,13,18,23,25H,10-12H2,1-2H3/t18-,23-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134093
PNG
((3aR,10R)-2-Butyl-10-(4-methoxy-phenyl)-3a,4,9,10-...)
Show SMILES CCCCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(OC)cc3)n2c1=O |r|
Show InChI InChI=1S/C24H25N3O3/c1-3-4-13-26-23(28)20-14-18-17-7-5-6-8-19(17)25-21(18)22(27(20)24(26)29)15-9-11-16(30-2)12-10-15/h5-12,22,25,28H,3-4,13-14H2,1-2H3/t22-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134128
PNG
((5R,6R)-6-Benzo[1,3]dioxol-5-yl-2-isopropyl-2,3,6,...)
Show SMILES CC(C)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C24H23N3O4/c1-13(2)26-11-21(28)27-18(24(26)29)10-16-15-5-3-4-6-17(15)25-22(16)23(27)14-7-8-19-20(9-14)31-12-30-19/h3-9,13,18,23,25H,10-12H2,1-2H3/t18-,23-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134123
PNG
((6R,7R)-10-Butyl-6-(4-methoxy-phenyl)-5,6,9,10,11a...)
Show SMILES CCCCn1c(O)c2Cc3c([nH]c4ccccc34)C(c3ccc(OC)cc3)n2c1=O
Show InChI InChI=1S/C24H25N3O3/c1-3-4-13-26-23(28)20-14-18-17-7-5-6-8-19(17)25-21(18)22(27(20)24(26)29)15-9-11-16(30-2)12-10-15/h5-12,22,25,28H,3-4,13-14H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134132
PNG
((5R,6R)-2-Ethyl-6-(4-methoxy-phenyl)-2,3,6,7,12,12...)
Show SMILES CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)cc2)C1=O
Show InChI InChI=1S/C23H23N3O3/c1-3-25-13-20(27)26-19(23(25)28)12-17-16-6-4-5-7-18(16)24-21(17)22(26)14-8-10-15(29-2)11-9-14/h4-11,19,22,24H,3,12-13H2,1-2H3/t19-,22-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134105
PNG
((3aR,10R)-10-(4-Methoxy-phenyl)-2-methyl-3a,4,9,10...)
Show SMILES COc1ccc(cc1)[C@@H]1c2[nH]c3ccccc3c2Cc2c(O)n(C)c(=O)n12
Show InChI InChI=1S/C21H19N3O3/c1-23-20(25)17-11-15-14-5-3-4-6-16(14)22-18(15)19(24(17)21(23)26)12-7-9-13(27-2)10-8-12/h3-10,19,22,25H,11H2,1-2H3/t19-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435747
PNG
(CHEMBL2392704)
Show SMILES CNc1cc(C)cc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H25F3N4O/c1-14-11-18(25-2)27-19(12-14)28-9-7-15(8-10-28)20(29)26-13-16-5-3-4-6-17(16)21(22,23)24/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,25,27)(H,26,29)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134111
PNG
((3aR,10R)-2-Ethyl-10-(4-methoxy-phenyl)-3a,4,9,10-...)
Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(OC)cc3)n2c1=O
Show InChI InChI=1S/C22H21N3O3/c1-3-24-21(26)18-12-16-15-6-4-5-7-17(15)23-19(16)20(25(18)22(24)27)13-8-10-14(28-2)11-9-13/h4-11,20,23,26H,3,12H2,1-2H3/t20-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2683
PNG
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
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n/an/a 10n/an/an/an/an/an/a



Laboratoires Glaxo



Assay Description
The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi...


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134136
PNG
((R)-10-(4-Methoxy-phenyl)-2-methyl-3a,4,9,10-tetra...)
Show SMILES COc1ccc(cc1)C1c2[nH]c3ccccc3c2Cc2c(O)n(C)c(=O)n12
Show InChI InChI=1S/C21H19N3O3/c1-23-20(25)17-11-15-14-5-3-4-6-16(14)22-18(15)19(24(17)21(23)26)12-7-9-13(27-2)10-8-12/h3-10,19,22,25H,11H2,1-2H3
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
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