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PubMed code 12639576

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))		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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PubMed
 1.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125136
PNG
(2-[2,3']Bipyridinyl-6'-yl-1-(2,3-dihydro-benzofura...)
Show SMILES C1Cc2cc(ccc2O1)C1N(CCc2c1[nH]c1ccccc21)c1ccc(cn1)-c1ccccn1
Show InChI InChI=1S/C29H24N4O/c1-2-7-25-22(5-1)23-12-15-33(27-11-9-21(18-31-27)24-6-3-4-14-30-24)29(28(23)32-25)20-8-10-26-19(17-20)13-16-34-26/h1-11,14,17-18,29,32H,12-13,15-16H2
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 4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125124
PNG
(CHEMBL433708 | [1-(2,3-Dihydro-benzofuran-5-yl)-1,...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(o1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCCc2c1
Show InChI InChI=1S/C36H34N4O4/c1-38-17-19-39(20-18-38)35(41)24-8-6-23(7-9-24)31-12-13-32(44-31)36(42)40-16-14-28-27-4-2-3-5-29(27)37-33(28)34(40)26-10-11-30-25(22-26)15-21-43-30/h2-13,22,34,37H,14-21H2,1H3
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 8.10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50118253
PNG
(1-Benzo[1,3]dioxol-5-yl-2-[5-(3,4-dimethoxy-phenyl...)
Show SMILES COc1ccc(cc1OC)-c1cnc(nc1)N1CC(=O)c2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C30H24N4O5/c1-36-23-9-7-17(11-25(23)37-2)19-13-31-30(32-14-19)34-15-22(35)27-20-5-3-4-6-21(20)33-28(27)29(34)18-8-10-24-26(12-18)39-16-38-24/h3-14,29,33H,15-16H2,1-2H3
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 8.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125116
PNG
(1-Benzo[1,3]dioxol-5-yl-2-[5-(4-methoxy-phenyl)-py...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1CC(=O)c2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C29H22N4O4/c1-35-20-9-6-17(7-10-20)19-13-30-29(31-14-19)33-15-23(34)26-21-4-2-3-5-22(21)32-27(26)28(33)18-8-11-24-25(12-18)37-16-36-24/h2-14,28,32H,15-16H2,1H3
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 18n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125139
PNG
(1-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(2,3-dimethyl...)
Show SMILES Cc1ncc(-c2cnc(nc2)N2CCc3c([nH]c4ccccc34)C2c2ccc3OCCc3c2)n1C
Show InChI InChI=1S/C28H26N6O/c1-17-29-16-24(33(17)2)20-14-30-28(31-15-20)34-11-9-22-21-5-3-4-6-23(21)32-26(22)27(34)19-7-8-25-18(13-19)10-12-35-25/h3-8,13-16,27,32H,9-12H2,1-2H3
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 24n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125121
PNG
(CHEMBL349359 | [1-(2,3-Dihydro-benzofuran-5-yl)-1,...)
Show SMILES O=C(N1CCc2c([nH]c3ccccc23)C1c1ccc2OCCc2c1)c1ccc(o1)-c1ccccn1
Show InChI InChI=1S/C29H23N3O3/c33-29(26-11-10-25(35-26)23-7-3-4-14-30-23)32-15-12-21-20-5-1-2-6-22(20)31-27(21)28(32)19-8-9-24-18(17-19)13-16-34-24/h1-11,14,17,28,31H,12-13,15-16H2
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 32n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125143
PNG
(CHEMBL166018 | N-{3-[5-(1-Benzo[1,3]dioxol-5-yl-1,...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(o1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C31H25N3O5/c1-18(35)32-21-6-4-5-19(15-21)25-11-12-27(39-25)31(36)34-14-13-23-22-7-2-3-8-24(22)33-29(23)30(34)20-9-10-26-28(16-20)38-17-37-26/h2-12,15-16,30,33H,13-14,17H2,1H3,(H,32,35)
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 51n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125118
PNG
(1-Benzo[1,3]dioxol-5-yl-2-[5-(3,4-dimethoxy-phenyl...)
Show SMILES COc1ccc(cc1OC)-c1cnc(nc1)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C30H26N4O4/c1-35-24-9-7-18(13-26(24)36-2)20-15-31-30(32-16-20)34-12-11-22-21-5-3-4-6-23(21)33-28(22)29(34)19-8-10-25-27(14-19)38-17-37-25/h3-10,13-16,29,33H,11-12,17H2,1-2H3
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 63n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125118
PNG
(1-Benzo[1,3]dioxol-5-yl-2-[5-(3,4-dimethoxy-phenyl...)
Show SMILES COc1ccc(cc1OC)-c1cnc(nc1)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C30H26N4O4/c1-35-24-9-7-18(13-26(24)36-2)20-15-31-30(32-16-20)34-12-11-22-21-5-3-4-6-23(21)33-28(22)29(34)19-8-10-25-27(14-19)38-17-37-25/h3-10,13-16,29,33H,11-12,17H2,1-2H3
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 63n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125142
PNG
(CHEMBL349204 | N-{4-[5-(1-Benzo[1,3]dioxol-5-yl-1,...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc(o1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C31H25N3O5/c1-18(35)32-21-9-6-19(7-10-21)25-12-13-27(39-25)31(36)34-15-14-23-22-4-2-3-5-24(22)33-29(23)30(34)20-8-11-26-28(16-20)38-17-37-26/h2-13,16,30,33H,14-15,17H2,1H3,(H,32,35)
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 64n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125141
PNG
((1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-c...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(o1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C29H21N3O6/c33-29(25-12-11-23(38-25)17-5-8-19(9-6-17)32(34)35)31-14-13-21-20-3-1-2-4-22(20)30-27(21)28(31)18-7-10-24-26(15-18)37-16-36-24/h1-12,15,28,30H,13-14,16H2
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 78n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125135
PNG
(1-Benzo[1,3]dioxol-5-yl-2-[5-(3,4-dimethoxy-phenyl...)
Show SMILES COc1ccc(cc1OC)-c1cnc(nc1)N1CC(O)c2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C30H26N4O5/c1-36-23-9-7-17(11-25(23)37-2)19-13-31-30(32-14-19)34-15-22(35)27-20-5-3-4-6-21(20)33-28(27)29(34)18-8-10-24-26(12-18)39-16-38-24/h3-14,22,29,33,35H,15-16H2,1-2H3
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>100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125128
PNG
(CHEMBL165117 | [5-(4-Amino-phenyl)-furan-2-yl]-(1-...)
Show SMILES Nc1ccc(cc1)-c1ccc(o1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C29H23N3O4/c30-19-8-5-17(6-9-19)23-11-12-25(36-23)29(33)32-14-13-21-20-3-1-2-4-22(20)31-27(21)28(32)18-7-10-24-26(15-18)35-16-34-24/h1-12,15,28,31H,13-14,16,30H2
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 123n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125144
PNG
((1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-c...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(o1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C30H21F3N2O4/c31-30(32,33)19-5-3-4-17(14-19)23-10-11-25(39-23)29(36)35-13-12-21-20-6-1-2-7-22(20)34-27(21)28(35)18-8-9-24-26(15-18)38-16-37-24/h1-11,14-15,28,34H,12-13,16H2
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 126n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125140
PNG
(1-Benzo[1,3]dioxol-5-yl-2-[5-(4-chloro-phenyl)-pyr...)
Show SMILES Clc1ccc(cc1)-c1cnc(nc1)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C28H21ClN4O2/c29-20-8-5-17(6-9-20)19-14-30-28(31-15-19)33-12-11-22-21-3-1-2-4-23(21)32-26(22)27(33)18-7-10-24-25(13-18)35-16-34-24/h1-10,13-15,27,32H,11-12,16H2
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 126n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125129
PNG
((1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-c...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C29H21N3O6/c33-29(25-11-10-23(38-25)17-4-3-5-19(14-17)32(34)35)31-13-12-21-20-6-1-2-7-22(20)30-27(21)28(31)18-8-9-24-26(15-18)37-16-36-24/h1-11,14-15,28,30H,12-13,16H2
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 130n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125122
PNG
(1-Benzo[1,3]dioxol-5-yl-2-[5-(4-methanesulfonyl-2-...)
Show SMILES CS(=O)(=O)c1ccc(-c2cnc(nc2)N2CCc3c([nH]c4ccccc34)C2c2ccc3OCOc3c2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C29H23N5O6S/c1-41(37,38)19-7-8-20(24(13-19)34(35)36)18-14-30-29(31-15-18)33-11-10-22-21-4-2-3-5-23(21)32-27(22)28(33)17-6-9-25-26(12-17)40-16-39-25/h2-9,12-15,28,32H,10-11,16H2,1H3
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 132n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125127
PNG
((1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-c...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C29H21ClN2O4/c30-19-8-5-17(6-9-19)23-11-12-25(36-23)29(33)32-14-13-21-20-3-1-2-4-22(20)31-27(21)28(32)18-7-10-24-26(15-18)35-16-34-24/h1-12,15,28,31H,13-14,16H2
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 145n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125123
PNG
(4-{2-[1-(2,3-Dihydro-benzofuran-5-yl)-1,3,4,9-tetr...)
Show SMILES Oc1ccc(cc1)-c1cnc(nc1)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCCc2c1
Show InChI InChI=1S/C29H24N4O2/c34-22-8-5-18(6-9-22)21-16-30-29(31-17-21)33-13-11-24-23-3-1-2-4-25(23)32-27(24)28(33)20-7-10-26-19(15-20)12-14-35-26/h1-10,15-17,28,32,34H,11-14H2
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 154n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125131
PNG
(CHEMBL350962 | [5-(3-Amino-phenyl)-furan-2-yl]-(1-...)
Show SMILES Nc1cccc(c1)-c1ccc(o1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C29H23N3O4/c30-19-5-3-4-17(14-19)23-10-11-25(36-23)29(33)32-13-12-21-20-6-1-2-7-22(20)31-27(21)28(32)18-8-9-24-26(15-18)35-16-34-24/h1-11,14-15,28,31H,12-13,16,30H2
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 179n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125134
PNG
(1-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCCc2c1
Show InChI InChI=1S/C30H26N4O2/c1-35-23-9-6-19(7-10-23)22-17-31-30(32-18-22)34-14-12-25-24-4-2-3-5-26(24)33-28(25)29(34)21-8-11-27-20(16-21)13-15-36-27/h2-11,16-18,29,33H,12-15H2,1H3
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 188n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125134
PNG
(1-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCCc2c1
Show InChI InChI=1S/C30H26N4O2/c1-35-23-9-6-19(7-10-23)22-17-31-30(32-18-22)34-14-12-25-24-4-2-3-5-26(24)33-28(25)29(34)21-8-11-27-20(16-21)13-15-36-27/h2-11,16-18,29,33H,12-15H2,1H3
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 189n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125137
PNG
((1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-c...)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(o1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C29H21N3O6/c33-29(25-12-11-23(38-25)20-6-2-4-8-22(20)32(34)35)31-14-13-19-18-5-1-3-7-21(18)30-27(19)28(31)17-9-10-24-26(15-17)37-16-36-24/h1-12,15,28,30H,13-14,16H2
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 219n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125130
PNG
(1-Benzo[1,3]dioxol-5-yl-2-[5-(4-methoxy-phenyl)-py...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C29H24N4O3/c1-34-21-9-6-18(7-10-21)20-15-30-29(31-16-20)33-13-12-23-22-4-2-3-5-24(22)32-27(23)28(33)19-8-11-25-26(14-19)36-17-35-25/h2-11,14-16,28,32H,12-13,17H2,1H3
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 246n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125130
PNG
(1-Benzo[1,3]dioxol-5-yl-2-[5-(4-methoxy-phenyl)-py...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C29H24N4O3/c1-34-21-9-6-18(7-10-21)20-15-30-29(31-16-20)33-13-12-23-22-4-2-3-5-24(22)32-27(23)28(33)19-8-11-25-26(14-19)36-17-35-25/h2-11,14-16,28,32H,12-13,17H2,1H3
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 246n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125133
PNG
(1-Benzo[1,3]dioxol-5-yl-2-(5-p-tolyl-pyrimidin-2-y...)
Show SMILES Cc1ccc(cc1)-c1cnc(nc1)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C29H24N4O2/c1-18-6-8-19(9-7-18)21-15-30-29(31-16-21)33-13-12-23-22-4-2-3-5-24(22)32-27(23)28(33)20-10-11-25-26(14-20)35-17-34-25/h2-11,14-16,28,32H,12-13,17H2,1H3
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 543n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125126
PNG
(1-Benzo[1,3]dioxol-5-yl-2-[5-(3-trifluoromethyl-ph...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(CN2CCc3c([nH]c4ccccc34)C2c2ccc3OCOc3c2)o1
Show InChI InChI=1S/C30H23F3N2O3/c31-30(32,33)20-5-3-4-18(14-20)25-11-9-21(38-25)16-35-13-12-23-22-6-1-2-7-24(22)34-28(23)29(35)19-8-10-26-27(15-19)37-17-36-26/h1-11,14-15,29,34H,12-13,16-17H2
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 850n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125120
PNG
(1-(2,3-Dihydro-benzofuran-5-yl)-2-{5-[4-(2-pyrroli...)
Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1cnc(nc1)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCCc2c1
Show InChI InChI=1S/C35H35N5O2/c1-2-6-31-29(5-1)30-13-17-40(34(33(30)38-31)26-9-12-32-25(21-26)14-19-42-32)35-36-22-27(23-37-35)24-7-10-28(11-8-24)41-20-18-39-15-3-4-16-39/h1-2,5-12,21-23,34,38H,3-4,13-20H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125117
PNG
((1-Benzo[1,3]dioxol-5-yl-3,4-dihydro-1H-benzo[4,5]...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)N1CCc2c(sc3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C29H20N2O6S/c32-29(24-11-10-22(37-24)17-4-3-5-19(14-17)31(33)34)30-13-12-21-20-6-1-2-7-26(20)38-28(21)27(30)18-8-9-23-25(15-18)36-16-35-23/h1-11,14-15,27H,12-13,16H2
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125119
PNG
(1-(3,4-Dimethoxy-phenyl)-2-[5-(4-methoxy-phenyl)-p...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1CCc2c([nH]c3ccccc23)C1c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C30H28N4O3/c1-35-22-11-8-19(9-12-22)21-17-31-30(32-18-21)34-15-14-24-23-6-4-5-7-25(23)33-28(24)29(34)20-10-13-26(36-2)27(16-20)37-3/h4-13,16-18,29,33H,14-15H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125132
PNG
(((R)-1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-be...)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1-c1ccc(o1)C(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc2OCOc2c1
Show InChI InChI=1S/C29H20ClN3O6/c30-17-6-7-20(22(14-17)33(35)36)23-9-10-25(39-23)29(34)32-12-11-19-18-3-1-2-4-21(18)31-27(19)28(32)16-5-8-24-26(13-16)38-15-37-24/h1-10,13-14,28,31H,11-12,15H2/t28-/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of PDE5 (Phosphodiesterase) from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125146
PNG
(4-{3-[5-(1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydr...)
Show SMILES OC(=O)CCCC(=O)Nc1cccc(c1)-c1ccc(o1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C34H29N3O7/c38-30(9-4-10-31(39)40)35-22-6-3-5-20(17-22)26-13-14-28(44-26)34(41)37-16-15-24-23-7-1-2-8-25(23)36-32(24)33(37)21-11-12-27-29(18-21)43-19-42-27/h1-3,5-8,11-14,17-18,33,36H,4,9-10,15-16,19H2,(H,35,38)(H,39,40)
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n/an/a 95n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of PDE5 (Phosphodiesterase) from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125147
PNG
(4-{4-[5-(1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydr...)
Show SMILES OC(=O)CCCC(=O)Nc1ccc(cc1)-c1ccc(o1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C34H29N3O7/c38-30(6-3-7-31(39)40)35-22-11-8-20(9-12-22)26-14-15-28(44-26)34(41)37-17-16-24-23-4-1-2-5-25(23)36-32(24)33(37)21-10-13-27-29(18-21)43-19-42-27/h1-2,4-5,8-15,18,33,36H,3,6-7,16-17,19H2,(H,35,38)(H,39,40)
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n/an/a 100n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of PDE5 (Phosphodiesterase) from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125138
PNG
((1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-c...)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1-c1ccc(o1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C29H20ClN3O6/c30-17-6-7-20(22(14-17)33(35)36)23-9-10-25(39-23)29(34)32-12-11-19-18-3-1-2-4-21(18)31-27(19)28(32)16-5-8-24-26(13-16)38-15-37-24/h1-10,13-14,28,31H,11-12,15H2
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n/an/a 105n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of PDE5 (Phosphodiesterase) from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125145
PNG
((1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-c...)
Show SMILES O=C(N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1)c1ccc(o1)-c1ccccc1
Show InChI InChI=1S/C29H22N2O4/c32-29(25-13-12-23(35-25)18-6-2-1-3-7-18)31-15-14-21-20-8-4-5-9-22(20)30-27(21)28(31)19-10-11-24-26(16-19)34-17-33-24/h1-13,16,28,30H,14-15,17H2
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n/an/a 750n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of PDE5 (Phosphodiesterase) from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50125125
PNG
(((S)-1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-be...)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1-c1ccc(o1)C(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc2OCOc2c1
Show InChI InChI=1S/C29H20ClN3O6/c30-17-6-7-20(22(14-17)33(35)36)23-9-10-25(39-23)29(34)32-12-11-19-18-3-1-2-4-21(18)31-27(19)28(32)16-5-8-24-26(13-16)38-15-37-24/h1-10,13-14,28,31H,11-12,15H2/t28-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of PDE5 (Phosphodiesterase) from human corpus cavernosum

Bioorg Med Chem Lett 13: 761-5 (2003)


BindingDB Entry DOI: 10.7270/Q29886CM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%