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Compile Data Set for Download or QSAR

Found 270 hits with Last Name = 'allerton' and Initial = 'cm'   
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301772
PNG
((R)-6-(2-methylpiperazin-1-yl)-2-(2-(2-(trifluorom...)
Show SMILES C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2C(F)(F)F)n1 |r|
Show InChI InChI=1S/C18H21F3N4O2/c1-13-12-22-8-9-24(13)16-6-7-17(26)25(23-16)10-11-27-15-5-3-2-4-14(15)18(19,20)21/h2-7,13,22H,8-12H2,1H3/t13-/m1/s1
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89n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human recombinant 5HT2C receptor expressed in Swiss mouse 3T3 cells by SPA


Bioorg Med Chem Lett 19: 5791-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.136
BindingDB Entry DOI: 10.7270/Q2X0674Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50302145
PNG
((R)-2-(2-(2-chlorophenoxy)ethyl)-6-(2-methylpipera...)
Show SMILES C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2Cl)n1 |r|
Show InChI InChI=1S/C17H21ClN4O2/c1-13-12-19-8-9-21(13)16-6-7-17(23)22(20-16)10-11-24-15-5-3-2-4-14(15)18/h2-7,13,19H,8-12H2,1H3/t13-/m1/s1
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325n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human recombinant 5HT2C receptor expressed in Swiss mouse 3T3 cells by SPA


Bioorg Med Chem Lett 19: 5791-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.136
BindingDB Entry DOI: 10.7270/Q2X0674Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50302160
PNG
(6-(piperazin-1-yl)-2-(2-(2-(trifluoromethyl)phenox...)
Show SMILES FC(F)(F)c1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Show InChI InChI=1S/C17H19F3N4O2/c18-17(19,20)13-3-1-2-4-14(13)26-12-11-24-16(25)6-5-15(22-24)23-9-7-21-8-10-23/h1-6,21H,7-12H2
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424n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human recombinant 5HT2C receptor expressed in Swiss mouse 3T3 cells by SPA


Bioorg Med Chem Lett 19: 5791-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.136
BindingDB Entry DOI: 10.7270/Q2X0674Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50302151
PNG
((S)-2-(1-(2-chlorophenoxy)propan-2-yl)-6-(piperazi...)
Show SMILES C[C@@H](COc1ccccc1Cl)n1nc(ccc1=O)N1CCNCC1 |r|
Show InChI InChI=1S/C17H21ClN4O2/c1-13(12-24-15-5-3-2-4-14(15)18)22-17(23)7-6-16(20-22)21-10-8-19-9-11-21/h2-7,13,19H,8-12H2,1H3/t13-/m0/s1
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728n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human recombinant 5HT2C receptor expressed in Swiss mouse 3T3 cells by SPA


Bioorg Med Chem Lett 19: 5791-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.136
BindingDB Entry DOI: 10.7270/Q2X0674Z
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50226008
PNG
((R)-3-(4-propylmorpholin-2-yl)phenol | CHEMBL25040...)
Show SMILES CCCN1CCO[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m0/s1
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970n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT2A receptor


Bioorg Med Chem Lett 17: 6691-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.059
BindingDB Entry DOI: 10.7270/Q23J3CQ5
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50226008
PNG
((R)-3-(4-propylmorpholin-2-yl)phenol | CHEMBL25040...)
Show SMILES CCCN1CCO[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human alpha2A adrenergic receptor


Bioorg Med Chem Lett 17: 6691-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.059
BindingDB Entry DOI: 10.7270/Q23J3CQ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50226008
PNG
((R)-3-(4-propylmorpholin-2-yl)phenol | CHEMBL25040...)
Show SMILES CCCN1CCO[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M1 receptor


Bioorg Med Chem Lett 17: 6691-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.059
BindingDB Entry DOI: 10.7270/Q23J3CQ5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50226008
PNG
((R)-3-(4-propylmorpholin-2-yl)phenol | CHEMBL25040...)
Show SMILES CCCN1CCO[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to rat alpha1A adrenergic receptor


Bioorg Med Chem Lett 17: 6691-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.059
BindingDB Entry DOI: 10.7270/Q23J3CQ5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50302141
PNG
(2-(2-(2-chlorophenoxy)ethyl)-6-(piperazin-1-yl)pyr...)
Show SMILES Clc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Show InChI InChI=1S/C16H19ClN4O2/c17-13-3-1-2-4-14(13)23-12-11-21-16(22)6-5-15(19-21)20-9-7-18-8-10-20/h1-6,18H,7-12H2
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1.60E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human recombinant 5HT2C receptor expressed in Swiss mouse 3T3 cells by SPA


Bioorg Med Chem Lett 19: 5791-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.136
BindingDB Entry DOI: 10.7270/Q2X0674Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50226008
PNG
((R)-3-(4-propylmorpholin-2-yl)phenol | CHEMBL25040...)
Show SMILES CCCN1CCO[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor


Bioorg Med Chem Lett 17: 6691-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.059
BindingDB Entry DOI: 10.7270/Q23J3CQ5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50226008
PNG
((R)-3-(4-propylmorpholin-2-yl)phenol | CHEMBL25040...)
Show SMILES CCCN1CCO[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m0/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of dofetilide from hERG


Bioorg Med Chem Lett 17: 6691-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.059
BindingDB Entry DOI: 10.7270/Q23J3CQ5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301770
PNG
((R)-3-methyl-6-(2-methylpiperazin-1-yl)-2-((2-(tri...)
Show SMILES C[C@@H]1CNCCN1c1cc(=O)n(C)c(COc2ccccc2C(F)(F)F)n1 |r|
Show InChI InChI=1S/C18H21F3N4O2/c1-12-10-22-7-8-25(12)15-9-17(26)24(2)16(23-15)11-27-14-6-4-3-5-13(14)18(19,20)21/h3-6,9,12,22H,7-8,10-11H2,1-2H3/t12-/m1/s1
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>1.30E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
Phosphodiesterase 2 and 5 (PDE2 and PDE5)


(Homo sapiens (Human))
BDBM50126462
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-{(R)-1-[2-(1-m...)
Show SMILES Cn1ccnc1CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C31H32N6O4/c1-34-13-10-32-27(34)9-12-35-11-8-20(16-35)36-17-28(38)37-24(31(36)39)15-22-21-4-2-3-5-23(21)33-29(22)30(37)19-6-7-25-26(14-19)41-18-40-25/h2-7,10,13-14,20,24,30,33H,8-9,11-12,15-18H2,1H3/t20-,24-,30-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126462
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-{(R)-1-[2-(1-m...)
Show SMILES Cn1ccnc1CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C31H32N6O4/c1-34-13-10-32-27(34)9-12-35-11-8-20(16-35)36-17-28(38)37-24(31(36)39)15-22-21-4-2-3-5-23(21)33-29(22)30(37)19-6-7-25-26(14-19)41-18-40-25/h2-7,10,13-14,20,24,30,33H,8-9,11-12,15-18H2,1H3/t20-,24-,30-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Phosphodiesterase Type 6 (PDE6)


(Canis lupus familiaris (Dog))
BDBM14397
PNG
(5-(5-acetyl-2-ethoxyphenyl)-1-methyl-3-propyl-1H,6...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(C)=O
Show InChI InChI=1S/C19H22N4O3/c1-5-7-14-16-17(23(4)22-14)19(25)21-18(20-16)13-10-12(11(3)24)8-9-15(13)26-6-2/h8-10H,5-7H2,1-4H3,(H,20,21,25)
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n/an/a 0.900n/an/an/an/a7.430



Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14408
PNG
(5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-[(1-me...)
Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(Cc3nccn3C)nc2c(=O)[nH]1)C(C)=O
Show InChI InChI=1S/C23H27N7O3/c1-5-7-10-33-23-16(11-15(12-25-23)14(3)31)21-26-19-17(6-2)30(28-20(19)22(32)27-21)13-18-24-8-9-29(18)4/h8-9,11-12H,5-7,10,13H2,1-4H3,(H,26,27,32)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126467
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-{(R)-1-[2-(1H-...)
Show SMILES O=C1CN([C@@H]2CCN(CCc3ncc[nH]3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H30N6O4/c37-27-16-35(19-7-11-34(15-19)12-8-26-31-9-10-32-26)30(38)23-14-21-20-3-1-2-4-22(20)33-28(21)29(36(23)27)18-5-6-24-25(13-18)40-17-39-24/h1-6,9-10,13,19,23,29,33H,7-8,11-12,14-17H2,(H,31,32)/t19-,23-,29-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14392
PNG
(3-ethyl-5-{5-[(4-ethylpiperazine-1-)sulfonyl]-2-(2...)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1
Show InChI InChI=1S/C27H34N8O5S/c1-4-22-23-24(32-35(22)18-19-8-6-7-9-28-19)26(36)31-25(30-23)21-16-20(17-29-27(21)40-15-14-39-3)41(37,38)34-12-10-33(5-2)11-13-34/h6-9,16-17H,4-5,10-15,18H2,1-3H3,(H,30,31,36)
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n/an/a 1.30n/an/an/an/a7.430



Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
Phosphodiesterase Type 6 (PDE6)


(Canis lupus familiaris (Dog))
BDBM14396
PNG
(5-{2-ethoxy-5-[2-(morpholin-4-yl)acetyl]phenyl}-1-...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(=O)CN1CCOCC1
Show InChI InChI=1S/C23H29N5O4/c1-4-6-17-20-21(27(3)26-17)23(30)25-22(24-20)16-13-15(7-8-19(16)32-5-2)18(29)14-28-9-11-31-12-10-28/h7-8,13H,4-6,9-12,14H2,1-3H3,(H,24,25,30)
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n/an/a 1.40n/an/an/an/a7.430



Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50126462
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-{(R)-1-[2-(1-m...)
Show SMILES Cn1ccnc1CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C31H32N6O4/c1-34-13-10-32-27(34)9-12-35-11-8-20(16-35)36-17-28(38)37-24(31(36)39)15-22-21-4-2-3-5-23(21)33-29(22)30(37)19-6-7-25-26(14-19)41-18-40-25/h2-7,10,13-14,20,24,30,33H,8-9,11-12,15-18H2,1H3/t20-,24-,30-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126452
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-pyri...)
Show SMILES O=C1CN([C@@H]2CCN(CCc3ccccn3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H31N5O4/c38-29-18-36(22-11-14-35(17-22)13-10-21-5-3-4-12-33-21)32(39)26-16-24-23-6-1-2-7-25(23)34-30(24)31(37(26)29)20-8-9-27-28(15-20)41-19-40-27/h1-9,12,15,22,26,31,34H,10-11,13-14,16-19H2/t22-,26-,31-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14396
PNG
(5-{2-ethoxy-5-[2-(morpholin-4-yl)acetyl]phenyl}-1-...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(=O)CN1CCOCC1
Show InChI InChI=1S/C23H29N5O4/c1-4-6-17-20-21(27(3)26-17)23(30)25-22(24-20)16-13-15(7-8-19(16)32-5-2)18(29)14-28-9-11-31-12-10-28/h7-8,13H,4-6,9-12,14H2,1-3H3,(H,24,25,30)
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Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126455
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-pyri...)
Show SMILES O=C1CN([C@@H]2CCN(CCc3cccnc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H31N5O4/c38-29-18-36(22-10-13-35(17-22)12-9-20-4-3-11-33-16-20)32(39)26-15-24-23-5-1-2-6-25(23)34-30(24)31(37(26)29)21-7-8-27-28(14-21)41-19-40-27/h1-8,11,14,16,22,26,31,34H,9-10,12-13,15,17-19H2/t22-,26-,31-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126464
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-pyra...)
Show SMILES O=C1CN([C@@H]2CCN(CCc3cnccn3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H30N6O4/c38-28-17-36(21-8-12-35(16-21)11-7-20-15-32-9-10-33-20)31(39)25-14-23-22-3-1-2-4-24(22)34-29(23)30(37(25)28)19-5-6-26-27(13-19)41-18-40-26/h1-6,9-10,13,15,21,25,30,34H,7-8,11-12,14,16-18H2/t21-,25-,30-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50126452
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-pyri...)
Show SMILES O=C1CN([C@@H]2CCN(CCc3ccccn3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H31N5O4/c38-29-18-36(22-11-14-35(17-22)13-10-21-5-3-4-12-33-21)32(39)26-16-24-23-6-1-2-7-25(23)34-30(24)31(37(26)29)20-8-9-27-28(15-20)41-19-40-27/h1-9,12,15,22,26,31,34H,10-11,13-14,16-19H2/t22-,26-,31-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126458
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-benzyl-...)
Show SMILES O=C1CN([C@@H]2CCN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H30N4O4/c37-29-18-35(22-12-13-34(17-22)16-20-6-2-1-3-7-20)32(38)26-15-24-23-8-4-5-9-25(23)33-30(24)31(36(26)29)21-10-11-27-28(14-21)40-19-39-27/h1-11,14,22,26,31,33H,12-13,15-19H2/t22-,26-,31-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126462
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-{(R)-1-[2-(1-m...)
Show SMILES Cn1ccnc1CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C31H32N6O4/c1-34-13-10-32-27(34)9-12-35-11-8-20(16-35)36-17-28(38)37-24(31(36)39)15-22-21-4-2-3-5-23(21)33-29(22)30(37)19-6-7-25-26(14-19)41-18-40-25/h2-7,10,13-14,20,24,30,33H,8-9,11-12,15-18H2,1H3/t20-,24-,30-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50126455
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-pyri...)
Show SMILES O=C1CN([C@@H]2CCN(CCc3cccnc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H31N5O4/c38-29-18-36(22-10-13-35(17-22)12-9-20-4-3-11-33-16-20)32(39)26-15-24-23-5-1-2-6-25(23)34-30(24)31(37(26)29)21-7-8-27-28(14-21)41-19-40-27/h1-8,11,14,16,22,26,31,34H,9-10,12-13,15,17-19H2/t22-,26-,31-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126449
PNG
(3-[(R)-3-((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-1,4-di...)
Show SMILES CN(C)C(=O)CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C30H33N5O5/c1-32(2)26(36)10-12-33-11-9-19(15-33)34-16-27(37)35-23(30(34)38)14-21-20-5-3-4-6-22(20)31-28(21)29(35)18-7-8-24-25(13-18)40-17-39-24/h3-8,13,19,23,29,31H,9-12,14-17H2,1-2H3/t19-,23-,29-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14407
PNG
(5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-[2-(mo...)
Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(CCN3CCOCC3)nc2c(=O)[nH]1)C(C)=O
Show InChI InChI=1S/C24H32N6O4/c1-4-6-11-34-24-18(14-17(15-25-24)16(3)31)22-26-20-19(5-2)30(28-21(20)23(32)27-22)8-7-29-9-12-33-13-10-29/h14-15H,4-13H2,1-3H3,(H,26,27,32)
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Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14398
PNG
(5-(5-Acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-m...)
Show SMILES CCCOc1ncc(cc1-c1nc2c(CC)n(Cc3nccn3C)nc2c(=O)[nH]1)C(C)=O
Show InChI InChI=1S/C22H25N7O3/c1-5-9-32-22-15(10-14(11-24-22)13(3)30)20-25-18-16(6-2)29(27-19(18)21(31)26-20)12-17-23-7-8-28(17)4/h7-8,10-11H,5-6,9,12H2,1-4H3,(H,25,26,31)
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n/an/a 2.70n/an/an/an/a7.430



Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126451
PNG
((6R,12aR)-2-((R)-1-Benzyl-pyrrolidin-3-yl)-6-(4-me...)
Show SMILES COc1ccc(cc1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C32H32N4O3/c1-39-24-13-11-22(12-14-24)31-30-26(25-9-5-6-10-27(25)33-30)17-28-32(38)35(20-29(37)36(28)31)23-15-16-34(19-23)18-21-7-3-2-4-8-21/h2-14,23,28,31,33H,15-20H2,1H3/t23-,28-,31-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14394
PNG
(5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-(pyrid...)
Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1)C(C)=O
Show InChI InChI=1S/C24H26N6O3/c1-4-6-11-33-24-18(12-16(13-26-24)15(3)31)22-27-20-19(5-2)30(29-21(20)23(32)28-22)14-17-9-7-8-10-25-17/h7-10,12-13H,4-6,11,14H2,1-3H3,(H,27,28,32)
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Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50126467
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-{(R)-1-[2-(1H-...)
Show SMILES O=C1CN([C@@H]2CCN(CCc3ncc[nH]3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H30N6O4/c37-27-16-35(19-7-11-34(15-19)12-8-26-31-9-10-32-26)30(38)23-14-21-20-3-1-2-4-22(20)33-28(21)29(36(23)27)18-5-6-24-25(13-18)40-17-39-24/h1-6,9-10,13,19,23,29,33H,7-8,11-12,14-17H2,(H,31,32)/t19-,23-,29-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
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 3.5n/an/an/an/a7.430



Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126453
PNG
(3-[(R)-3-((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-1,4-di...)
Show SMILES CCNC(=O)CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C30H33N5O5/c1-2-31-26(36)10-12-33-11-9-19(15-33)34-16-27(37)35-23(30(34)38)14-21-20-5-3-4-6-22(20)32-28(21)29(35)18-7-8-24-25(13-18)40-17-39-24/h3-8,13,19,23,29,32H,2,9-12,14-17H2,1H3,(H,31,36)/t19-,23-,29-/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14413
PNG
(5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-(1-eth...)
Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCN(CC)CC1)C(C)=O
Show InChI InChI=1S/C25H34N6O3/c1-5-8-13-34-25-19(14-17(15-26-25)16(4)32)23-27-21-20(6-2)31(29-22(21)24(33)28-23)18-9-11-30(7-3)12-10-18/h14-15,18H,5-13H2,1-4H3,(H,27,28,33)
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n/an/a 3.60n/an/an/an/an/an/a



Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126456
PNG
((6R,12aR)-2-[(R)-1-(3-Azetidin-1-yl-3-oxo-propyl)-...)
Show SMILES O=C(CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O)N1CCC1
Show InChI InChI=1S/C31H33N5O5/c37-27(34-10-3-11-34)9-13-33-12-8-20(16-33)35-17-28(38)36-24(31(35)39)15-22-21-4-1-2-5-23(21)32-29(22)30(36)19-6-7-25-26(14-19)41-18-40-25/h1-2,4-7,14,20,24,30,32H,3,8-13,15-18H2/t20-,24-,30-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126448
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-but-3-e...)
Show SMILES C=CCCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C29H30N4O4/c1-2-3-11-31-12-10-19(15-31)32-16-26(34)33-23(29(32)35)14-21-20-6-4-5-7-22(20)30-27(21)28(33)18-8-9-24-25(13-18)37-17-36-24/h2,4-9,13,19,23,28,30H,1,3,10-12,14-17H2/t19-,23-,28-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50126464
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-pyra...)
Show SMILES O=C1CN([C@@H]2CCN(CCc3cnccn3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H30N6O4/c38-28-17-36(21-8-12-35(16-21)11-7-20-15-32-9-10-33-20)31(39)25-14-23-22-3-1-2-4-24(22)34-29(23)30(37(25)28)19-5-6-26-27(13-19)41-18-40-26/h1-6,9-10,13,15,21,25,30,34H,7-8,11-12,14,16-18H2/t21-,25-,30-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50126453
PNG
(3-[(R)-3-((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-1,4-di...)
Show SMILES CCNC(=O)CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C30H33N5O5/c1-2-31-26(36)10-12-33-11-9-19(15-33)34-16-27(37)35-23(30(34)38)14-21-20-5-3-4-6-22(20)32-28(21)29(35)18-7-8-24-25(13-18)40-17-39-24/h3-8,13,19,23,29,32H,2,9-12,14-17H2,1H3,(H,31,36)/t19-,23-,29-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50126449
PNG
(3-[(R)-3-((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-1,4-di...)
Show SMILES CN(C)C(=O)CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C30H33N5O5/c1-32(2)26(36)10-12-33-11-9-19(15-33)34-16-27(37)35-23(30(34)38)14-21-20-5-3-4-6-22(20)31-28(21)29(35)18-7-8-24-25(13-18)40-17-39-24/h3-8,13,19,23,29,31H,9-12,14-17H2,1-2H3/t19-,23-,29-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50126456
PNG
((6R,12aR)-2-[(R)-1-(3-Azetidin-1-yl-3-oxo-propyl)-...)
Show SMILES O=C(CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O)N1CCC1
Show InChI InChI=1S/C31H33N5O5/c37-27(34-10-3-11-34)9-13-33-12-8-20(16-33)35-17-28(38)36-24(31(35)39)15-22-21-4-1-2-5-23(21)32-29(22)30(36)19-6-7-25-26(14-19)41-18-40-25/h1-2,4-7,14,20,24,30,32H,3,8-13,15-18H2/t20-,24-,30-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14402
PNG
(5-(5-Acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-(1-is...)
Show SMILES CCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CN(C1)C(C)C)C(C)=O
Show InChI InChI=1S/C23H30N6O3/c1-6-8-32-23-17(9-15(10-24-23)14(5)30)21-25-19-18(7-2)29(27-20(19)22(31)26-21)16-11-28(12-16)13(3)4/h9-10,13,16H,6-8,11-12H2,1-5H3,(H,25,26,31)
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n/an/a 5.20n/an/an/an/an/an/a



Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50126458
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-benzyl-...)
Show SMILES O=C1CN([C@@H]2CCN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H30N4O4/c37-29-18-35(22-12-13-34(17-22)16-20-6-2-1-3-7-20)32(38)26-15-24-23-8-4-5-9-25(23)33-30(24)31(36(26)29)21-10-11-27-28(14-21)40-19-39-27/h1-11,14,22,26,31,33H,12-13,15-19H2/t22-,26-,31-/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14393
PNG
(5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-(1-eth...)
Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CN(CC)C1)C(C)=O
Show InChI InChI=1S/C23H30N6O3/c1-5-8-9-32-23-17(10-15(11-24-23)14(4)30)21-25-19-18(6-2)29(16-12-28(7-3)13-16)27-20(19)22(31)26-21/h10-11,16H,5-9,12-13H2,1-4H3,(H,25,26,31)
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n/an/a 5.5n/an/an/an/a7.430



Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14410
PNG
(5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-(1-met...)
Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CN(C)C1)C(C)=O
Show InChI InChI=1S/C22H28N6O3/c1-5-7-8-31-22-16(9-14(10-23-22)13(3)29)20-24-18-17(6-2)28(15-11-27(4)12-15)26-19(18)21(30)25-20/h9-10,15H,5-8,11-12H2,1-4H3,(H,24,25,30)
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n/an/a 6.40n/an/an/an/an/an/a



Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50126463
PNG
((6R,12aR)-2-((R)-1-Benzyl-pyrrolidin-3-yl)-6-p-tol...)
Show SMILES Cc1ccc(cc1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C32H32N4O2/c1-21-11-13-23(14-12-21)31-30-26(25-9-5-6-10-27(25)33-30)17-28-32(38)35(20-29(37)36(28)31)24-15-16-34(19-24)18-22-7-3-2-4-8-22/h2-14,24,28,31,33H,15-20H2,1H3/t24-,28-,31-/m1/s1
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n/an/a 6.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50126451
PNG
((6R,12aR)-2-((R)-1-Benzyl-pyrrolidin-3-yl)-6-(4-me...)
Show SMILES COc1ccc(cc1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C32H32N4O3/c1-39-24-13-11-22(12-14-24)31-30-26(25-9-5-6-10-27(25)33-30)17-28-32(38)35(20-29(37)36(28)31)23-15-16-34(19-23)18-21-7-3-2-4-8-21/h2-14,23,28,31,33H,15-20H2,1H3/t23-,28-,31-/m1/s1
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n/an/a 6.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
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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n/an/a 6.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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