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PubMed code 15837329

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50123473
PNG
(1-[9-(3-Chloro-4-methoxy-benzylamino)-3-ethyl-3H-2...)
Show SMILES CCn1ncc2c1ncc1c(nnc(NCc3ccc(OC)c(Cl)c3)c21)-n1cnc(c1)C(=O)NC
Show InChI InChI=1S/C23H22ClN9O2/c1-4-33-21-15(10-29-33)19-14(9-27-21)22(32-11-17(28-12-32)23(34)25-2)31-30-20(19)26-8-13-5-6-18(35-3)16(24)7-13/h5-7,9-12H,4,8H2,1-3H3,(H,25,34)(H,26,30)
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n/an/a 0.300n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5; IC50 range 0.03-0.3 nM


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
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 20n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165805
PNG
(4-(7-Benzyl-9-methyl-6-oxo-2-phenyl-6,7-dihydro-3,...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(CCCC(O)=O)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C26H23N5O3/c1-17-24-21-15-20(19-11-6-3-7-12-19)29-31(21)22(13-8-14-23(32)33)27-25(24)26(34)30(28-17)16-18-9-4-2-5-10-18/h2-7,9-12,15H,8,13-14,16H2,1H3,(H,32,33)
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n/an/a 30n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165811
PNG
(7-Benzyl-4-sec-butyl-9-methyl-2-phenyl-7H-3,3a,5,7...)
Show SMILES CCC(C)c1nc2c(c(C)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C26H25N5O/c1-4-17(2)25-27-24-23(22-15-21(29-31(22)25)20-13-9-6-10-14-20)18(3)28-30(26(24)32)16-19-11-7-5-8-12-19/h5-15,17H,4,16H2,1-3H3
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n/an/a 34n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165812
PNG
(7-Benzyl-4-sec-butyl-9-methyl-2-pyridin-2-yl-7H-3,...)
Show SMILES CCC(C)c1nc2c(c(C)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccn1
Show InChI InChI=1S/C25H24N6O/c1-4-16(2)24-27-23-22(21-14-20(29-31(21)24)19-12-8-9-13-26-19)17(3)28-30(25(23)32)15-18-10-6-5-7-11-18/h5-14,16H,4,15H2,1-3H3
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n/an/a 39n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))
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 40n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165826
PNG
(CHEMBL193746 | Phosphoric acid mono-[3-(4-sec-buty...)
Show SMILES CCC(C)c1nc2c(c(C)nn(Cc3cccc(OP(O)(O)=O)c3)c2=O)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C26H26N5O5P/c1-4-16(2)25-27-24-23(22-14-21(29-31(22)25)19-10-6-5-7-11-19)17(3)28-30(26(24)32)15-18-9-8-12-20(13-18)36-37(33,34)35/h5-14,16H,4,15H2,1-3H3,(H2,33,34,35)
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n/an/a 59n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))
BDBM50165810
PNG
(5-(7-Benzyl-9-methyl-6-oxo-2-phenyl-6,7-dihydro-3,...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(CCCCC(O)=O)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3/c1-18-25-22-16-21(20-12-6-3-7-13-20)30-32(22)23(14-8-9-15-24(33)34)28-26(25)27(35)31(29-18)17-19-10-4-2-5-11-19/h2-7,10-13,16H,8-9,14-15,17H2,1H3,(H,33,34)
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n/an/a 63n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165822
PNG
(7-Benzyl-4-(1-ethyl-propyl)-9-methyl-2-phenyl-7H-3...)
Show SMILES CCC(CC)c1nc2c(c(C)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C27H27N5O/c1-4-20(5-2)26-28-25-24(23-16-22(30-32(23)26)21-14-10-7-11-15-21)18(3)29-31(27(25)33)17-19-12-8-6-9-13-19/h6-16,20H,4-5,17H2,1-3H3
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n/an/a 67n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165818
PNG
(7-Benzyl-9-methyl-2-phenyl-4-m-tolyl-7H-3,3a,5,7,8...)
Show SMILES Cc1cccc(c1)-c1nc2c(c(C)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C29H23N5O/c1-19-10-9-15-23(16-19)28-30-27-26(25-17-24(32-34(25)28)22-13-7-4-8-14-22)20(2)31-33(29(27)35)18-21-11-5-3-6-12-21/h3-17H,18H2,1-2H3
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n/an/a 75n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165806
PNG
(7-Benzyl-9-methyl-2,4-diphenyl-7H-3,3a,5,7,8-penta...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(-c3ccccc3)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C28H21N5O/c1-19-25-24-17-23(21-13-7-3-8-14-21)31-33(24)27(22-15-9-4-10-16-22)29-26(25)28(34)32(30-19)18-20-11-5-2-6-12-20/h2-17H,18H2,1H3
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n/an/a 81n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165814
PNG
(7-Benzyl-9-methyl-2-phenyl-4-pyridin-2-yl-7H-3,3a,...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(-c3ccccn3)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C27H20N6O/c1-18-24-23-16-22(20-12-6-3-7-13-20)31-33(23)26(21-14-8-9-15-28-21)29-25(24)27(34)32(30-18)17-19-10-4-2-5-11-19/h2-16H,17H2,1H3
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n/an/a 81n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165810
PNG
(5-(7-Benzyl-9-methyl-6-oxo-2-phenyl-6,7-dihydro-3,...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(CCCCC(O)=O)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3/c1-18-25-22-16-21(20-12-6-3-7-13-20)30-32(22)23(14-8-9-15-24(33)34)28-26(25)27(35)31(29-18)17-19-10-4-2-5-11-19/h2-7,10-13,16H,8-9,14-15,17H2,1H3,(H,33,34)
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n/an/a 90n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165827
PNG
(7-Benzyl-4-methoxymethyl-9-methyl-2-phenyl-7H-3,3a...)
Show SMILES COCc1nc2c(c(C)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C24H21N5O2/c1-16-22-20-13-19(18-11-7-4-8-12-18)27-29(20)21(15-31-2)25-23(22)24(30)28(26-16)14-17-9-5-3-6-10-17/h3-13H,14-15H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165828
PNG
(7-Benzyl-9-methyl-4-methylsulfanylmethyl-2-phenyl-...)
Show SMILES CSCc1nc2c(c(C)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C24H21N5OS/c1-16-22-20-13-19(18-11-7-4-8-12-18)27-29(20)21(15-31-2)25-23(22)24(30)28(26-16)14-17-9-5-3-6-10-17/h3-13H,14-15H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))
BDBM50165805
PNG
(4-(7-Benzyl-9-methyl-6-oxo-2-phenyl-6,7-dihydro-3,...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(CCCC(O)=O)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C26H23N5O3/c1-17-24-21-15-20(19-11-6-3-7-12-19)29-31(21)22(13-8-14-23(32)33)27-25(24)26(34)30(28-17)16-18-9-4-2-5-10-18/h2-7,9-12,15H,8,13-14,16H2,1H3,(H,32,33)
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n/an/a 110n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165819
PNG
(7-Benzyl-4,9-dimethyl-2-phenyl-7H-3,3a,5,7,8-penta...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C23H19N5O/c1-15-21-20-13-19(18-11-7-4-8-12-18)26-28(20)16(2)24-22(21)23(29)27(25-15)14-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165808
PNG
(7-Benzyl-9-methyl-2-phenyl-4-pyridin-3-yl-7H-3,3a,...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(-c3cccnc3)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C27H20N6O/c1-18-24-23-15-22(20-11-6-3-7-12-20)31-33(23)26(21-13-8-14-28-16-21)29-25(24)27(34)32(30-18)17-19-9-4-2-5-10-19/h2-16H,17H2,1H3
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n/an/a 180n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165825
PNG
(CHEMBL363638 | Phosphoric acid mono-[3-(4,9-dimeth...)
Show SMILES Cc1nn(Cc2cccc(OP(O)(O)=O)c2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C23H20N5O5P/c1-14-21-20-12-19(17-8-4-3-5-9-17)26-28(20)15(2)24-22(21)23(29)27(25-14)13-16-7-6-10-18(11-16)33-34(30,31)32/h3-12H,13H2,1-2H3,(H2,30,31,32)
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n/an/a 230n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165815
PNG
(7-Benzyl-4,9-dimethyl-2-pyridin-2-yl-7H-3,3a,5,7,8...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccn1
Show InChI InChI=1S/C22H18N6O/c1-14-20-19-12-18(17-10-6-7-11-23-17)26-28(19)15(2)24-21(20)22(29)27(25-14)13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3
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n/an/a 270n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165809
PNG
((E)-3-(7-Benzyl-9-methyl-6-oxo-2-phenyl-6,7-dihydr...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(\C=C\C(O)=O)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C25H19N5O3/c1-16-23-20-14-19(18-10-6-3-7-11-18)28-30(20)21(12-13-22(31)32)26-24(23)25(33)29(27-16)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,31,32)/b13-12+
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n/an/a 320n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165823
PNG
(7-Benzyl-4-ethoxymethyl-9-methyl-2-phenyl-7H-3,3a,...)
Show SMILES CCOCc1nc2c(c(C)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C25H23N5O2/c1-3-32-16-22-26-24-23(21-14-20(28-30(21)22)19-12-8-5-9-13-19)17(2)27-29(25(24)31)15-18-10-6-4-7-11-18/h4-14H,3,15-16H2,1-2H3
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n/an/a 350n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165816
PNG
(3-(7-Benzyl-9-methyl-6-oxo-2-phenyl-6,7-dihydro-3,...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(CCC(O)=O)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C25H21N5O3/c1-16-23-20-14-19(18-10-6-3-7-11-18)28-30(20)21(12-13-22(31)32)26-24(23)25(33)29(27-16)15-17-8-4-2-5-9-17/h2-11,14H,12-13,15H2,1H3,(H,31,32)
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n/an/a 430n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165817
PNG
(7-Benzyl-9-methyl-2-phenyl-4-pyridin-4-ylmethyl-7H...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(Cc3ccncc3)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C28H22N6O/c1-19-26-24-17-23(22-10-6-3-7-11-22)32-34(24)25(16-20-12-14-29-15-13-20)30-27(26)28(35)33(31-19)18-21-8-4-2-5-9-21/h2-15,17H,16,18H2,1H3
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n/an/a 450n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))
BDBM50165809
PNG
((E)-3-(7-Benzyl-9-methyl-6-oxo-2-phenyl-6,7-dihydr...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(\C=C\C(O)=O)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C25H19N5O3/c1-16-23-20-14-19(18-10-6-3-7-11-18)28-30(20)21(12-13-22(31)32)26-24(23)25(33)29(27-16)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,31,32)/b13-12+
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n/an/a 580n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))
BDBM50165816
PNG
(3-(7-Benzyl-9-methyl-6-oxo-2-phenyl-6,7-dihydro-3,...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(CCC(O)=O)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C25H21N5O3/c1-16-23-20-14-19(18-10-6-3-7-11-18)28-30(20)21(12-13-22(31)32)26-24(23)25(33)29(27-16)15-17-8-4-2-5-9-17/h2-11,14H,12-13,15H2,1H3,(H,31,32)
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n/an/a 590n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165813
PNG
(2-(4-Amino-phenyl)-7-benzyl-4,9-dimethyl-7H-3,3a,5...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccc(N)cc1
Show InChI InChI=1S/C23H20N6O/c1-14-21-20-12-19(17-8-10-18(24)11-9-17)27-29(20)15(2)25-22(21)23(30)28(26-14)13-16-6-4-3-5-7-16/h3-12H,13,24H2,1-2H3
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n/an/a 920n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165824
PNG
(7-Benzyl-9-methyl-4-phenethyl-2-phenyl-7H-3,3a,5,7...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(CCc3ccccc3)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C30H25N5O/c1-21-28-26-19-25(24-15-9-4-10-16-24)33-35(26)27(18-17-22-11-5-2-6-12-22)31-29(28)30(36)34(32-21)20-23-13-7-3-8-14-23/h2-16,19H,17-18,20H2,1H3
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n/an/a 980n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165807
PNG
(7-(4-Amino-benzyl)-4,9-dimethyl-2-phenyl-7H-3,3a,5...)
Show SMILES Cc1nn(Cc2ccc(N)cc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C23H20N6O/c1-14-21-20-12-19(17-6-4-3-5-7-17)27-29(20)15(2)25-22(21)23(30)28(26-14)13-16-8-10-18(24)11-9-16/h3-12H,13,24H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))
BDBM50165807
PNG
(7-(4-Amino-benzyl)-4,9-dimethyl-2-phenyl-7H-3,3a,5...)
Show SMILES Cc1nn(Cc2ccc(N)cc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C23H20N6O/c1-14-21-20-12-19(17-6-4-3-5-7-17)27-29(20)15(2)25-22(21)23(30)28(26-14)13-16-8-10-18(24)11-9-16/h3-12H,13,24H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))
BDBM50165806
PNG
(7-Benzyl-9-methyl-2,4-diphenyl-7H-3,3a,5,7,8-penta...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(-c3ccccc3)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C28H21N5O/c1-19-25-24-17-23(21-13-7-3-8-14-21)31-33(24)27(22-15-9-4-10-16-22)29-26(25)28(34)32(30-19)18-20-11-5-2-6-12-20/h2-17H,18H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165821
PNG
(7-Cyclohexylmethyl-4,9-dimethyl-2-phenyl-7H-3,3a,5...)
Show SMILES Cc1nn(CC2CCCCC2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C23H25N5O/c1-15-21-20-13-19(18-11-7-4-8-12-18)26-28(20)16(2)24-22(21)23(29)27(25-15)14-17-9-5-3-6-10-17/h4,7-8,11-13,17H,3,5-6,9-10,14H2,1-2H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))
BDBM50165815
PNG
(7-Benzyl-4,9-dimethyl-2-pyridin-2-yl-7H-3,3a,5,7,8...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccn1
Show InChI InChI=1S/C22H18N6O/c1-14-20-19-12-18(17-10-6-7-11-23-17)26-28(19)15(2)24-21(20)22(29)27(25-14)13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))
BDBM50165821
PNG
(7-Cyclohexylmethyl-4,9-dimethyl-2-phenyl-7H-3,3a,5...)
Show SMILES Cc1nn(CC2CCCCC2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C23H25N5O/c1-15-21-20-13-19(18-11-7-4-8-12-18)26-28(20)16(2)24-22(21)23(29)27(25-15)14-17-9-5-3-6-10-17/h4,7-8,11-13,17H,3,5-6,9-10,14H2,1-2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165820
PNG
(2-Benzo[1,3]dioxol-5-yl-7-benzyl-4,9-dimethyl-7H-3...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H19N5O3/c1-14-22-19-11-18(17-8-9-20-21(10-17)32-13-31-20)27-29(19)15(2)25-23(22)24(30)28(26-14)12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))
BDBM50165824
PNG
(7-Benzyl-9-methyl-4-phenethyl-2-phenyl-7H-3,3a,5,7...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(CCc3ccccc3)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C30H25N5O/c1-21-28-26-19-25(24-15-9-4-10-16-24)33-35(26)27(18-17-22-11-5-2-6-12-22)31-29(28)30(36)34(32-21)20-23-13-7-3-8-14-23/h2-16,19H,17-18,20H2,1H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))
BDBM50165820
PNG
(2-Benzo[1,3]dioxol-5-yl-7-benzyl-4,9-dimethyl-7H-3...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H19N5O3/c1-14-22-19-11-18(17-8-9-20-21(10-17)32-13-31-20)27-29(19)15(2)25-23(22)24(30)28(26-14)12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
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n/an/a 7.80E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%