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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50036430   
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))
BDBM50052090
PNG
(6,7-Dimethoxy-9-(3,4,5-trimethoxy-phenyl)-3H-napht...)
Show SMILES COc1cc(cc(OC)c1OC)-c1c2C(=O)OCc2cc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C23H22O7/c1-25-16-7-12-6-14-11-30-23(24)21(14)20(15(12)10-17(16)26-2)13-8-18(27-3)22(29-5)19(9-13)28-4/h6-10H,11H2,1-5H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052087
PNG
(CHEMBL91778 | [1-(3,4-Dimethoxy-phenyl)-3-hydroxym...)
Show SMILES COc1ccc(cc1OC)-c1c(CO)c(CO)cc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C22H24O6/c1-25-18-6-5-13(8-19(18)26-2)22-16-10-21(28-4)20(27-3)9-14(16)7-15(11-23)17(22)12-24/h5-10,23-24H,11-12H2,1-4H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052098
PNG
(CHEMBL285361 | [3-Hydroxymethyl-6,7-dimethoxy-1-(3...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C23H26O7/c1-26-18-7-13-6-15(11-24)17(12-25)22(16(13)10-19(18)27-2)14-8-20(28-3)23(30-5)21(9-14)29-4/h6-10,24-25H,11-12H2,1-5H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052091
PNG
(CHEMBL92491 | [3-Hydroxymethyl-6-methoxy-1-(3,4,5-...)
Show SMILES COc1ccc2c(c(CO)c(CO)cc2c1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H24O6/c1-25-16-5-6-17-13(8-16)7-15(11-23)18(12-24)21(17)14-9-19(26-2)22(28-4)20(10-14)27-3/h5-10,23-24H,11-12H2,1-4H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052085
PNG
(1-Butyl-4-(7-ethoxy-2,3-bis-hydroxymethyl-5-methox...)
Show SMILES CCCCN1CC=C(CC1=O)c1c(CO)c(CO)cc2c(OC)cc(OCC)cc12 |c:6|
Show InChI InChI=1S/C24H31NO5/c1-4-6-8-25-9-7-16(11-23(25)28)24-20-12-18(30-5-2)13-22(29-3)19(20)10-17(14-26)21(24)15-27/h7,10,12-13,26-27H,4-6,8-9,11,14-15H2,1-3H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052099
PNG
(1-Butyl-4-(6,7-diethoxy-2,3-bis-hydroxymethyl-naph...)
Show SMILES CCCCN1CC=C(CC1=O)c1c(CO)c(CO)cc2cc(OCC)c(OCC)cc12 |c:6|
Show InChI InChI=1S/C25H33NO5/c1-4-7-9-26-10-8-17(13-24(26)29)25-20-14-23(31-6-3)22(30-5-2)12-18(20)11-19(15-27)21(25)16-28/h8,11-12,14,27-28H,4-7,9-10,13,15-16H2,1-3H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052083
PNG
(4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthalen-...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3cc[nH]c(=O)c3)c2cc1OC
Show InChI InChI=1S/C19H19NO5/c1-24-16-6-12-5-13(9-21)15(10-22)19(14(12)8-17(16)25-2)11-3-4-20-18(23)7-11/h3-8,21-22H,9-10H2,1-2H3,(H,20,23)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052092
PNG
(CHEMBL313143 | [3-Hydroxymethyl-6,7-dimethoxy-1-(3...)
Show SMILES COc1cc(Cc2c(CO)c(CO)cc3cc(OC)c(OC)cc23)cc(OC)c1OC
Show InChI InChI=1S/C24H28O7/c1-27-20-10-15-9-16(12-25)19(13-26)18(17(15)11-21(20)28-2)6-14-7-22(29-3)24(31-5)23(8-14)30-4/h7-11,25-26H,6,12-13H2,1-5H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50454211
PNG
(CHEMBL2115234)
Show SMILES CCCCn1ccc(cc1=O)-c1c(CO)c(CO)cc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C23H27NO5/c1-4-5-7-24-8-6-15(11-22(24)27)23-18-12-21(29-3)20(28-2)10-16(18)9-17(13-25)19(23)14-26/h6,8-12,25-26H,4-5,7,13-14H2,1-3H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052100
PNG
(4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthalen-...)
Show SMILES COc1cc2cc(CO)c(CO)c(C3=CCN(C)C(=O)C3)c2cc1OC |t:13|
Show InChI InChI=1S/C20H23NO5/c1-21-5-4-12(8-19(21)24)20-15-9-18(26-3)17(25-2)7-13(15)6-14(10-22)16(20)11-23/h4,6-7,9,22-23H,5,8,10-11H2,1-3H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052096
PNG
(4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthalen-...)
Show SMILES COCCN1CC=C(CC1=O)c1c(CO)c(CO)cc2cc(OC)c(OC)cc12 |c:6|
Show InChI InChI=1S/C22H27NO6/c1-27-7-6-23-5-4-14(10-21(23)26)22-17-11-20(29-3)19(28-2)9-15(17)8-16(12-24)18(22)13-25/h4,8-9,11,24-25H,5-7,10,12-13H2,1-3H3
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n/an/a 2.20E+4n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052095
PNG
(4-(6,7-Diethoxy-2,3-bis-hydroxymethyl-naphthalen-1...)
Show SMILES CCOc1cc2cc(CO)c(CO)c(C3=CCN(CCOC)C(=O)C3)c2cc1OCC |t:14|
Show InChI InChI=1S/C24H31NO6/c1-4-30-21-11-17-10-18(14-26)20(15-27)24(19(17)13-22(21)31-5-2)16-6-7-25(8-9-29-3)23(28)12-16/h6,10-11,13,26-27H,4-5,7-9,12,14-15H2,1-3H3
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n/an/a 2.20E+4n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052082
PNG
(4-(6-Ethoxy-2,3-bis-hydroxymethyl-7-methoxy-naphth...)
Show SMILES CCOc1cc2cc(CO)c(CO)c(C3=CCN(CCOC)C(=O)C3)c2cc1OC |t:14|
Show InChI InChI=1S/C23H29NO6/c1-4-30-21-10-16-9-17(13-25)19(14-26)23(18(16)12-20(21)29-3)15-5-6-24(7-8-28-2)22(27)11-15/h5,9-10,12,25-26H,4,6-8,11,13-14H2,1-3H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052093
PNG
(CHEMBL91728 | [7-Hydroxymethyl-5-(3,4,5-trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1c(CO)c(CO)cc2cc3OCOc3cc12
Show InChI InChI=1S/C22H22O7/c1-25-19-6-13(7-20(26-2)22(19)27-3)21-15-8-18-17(28-11-29-18)5-12(15)4-14(9-23)16(21)10-24/h4-8,23-24H,9-11H2,1-3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052094
PNG
(CHEMBL542178 | [1-(3-Amino-4,5-dimethoxy-phenyl)-6...)
Show SMILES CCOc1cc2cc(CO)c(CO)c(-c3cc(N)c(OC)c(OC)c3)c2cc1OCC
Show InChI InChI=1S/C24H29NO6/c1-5-30-20-9-14-7-16(12-26)18(13-27)23(17(14)11-21(20)31-6-2)15-8-19(25)24(29-4)22(10-15)28-3/h7-11,26-27H,5-6,12-13,25H2,1-4H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052097
PNG
(5-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthalen-...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3cc(OC)c(OC)c(c3)C(=O)N(C)C)c2cc1OC
Show InChI InChI=1S/C25H29NO7/c1-26(2)25(29)18-8-15(10-22(32-5)24(18)33-6)23-17-11-21(31-4)20(30-3)9-14(17)7-16(12-27)19(23)13-28/h7-11,27-28H,12-13H2,1-6H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052086
PNG
(6-(6,7-Bis-hydroxymethyl-2,3-dimethoxy-naphthalen-...)
Show SMILES COc1cc2cc(CO)c(CO)cc2c(C2C=CCC(=O)N2C)c1OC |c:17|
Show InChI InChI=1S/C20H23NO5/c1-21-16(5-4-6-18(21)24)19-15-8-14(11-23)13(10-22)7-12(15)9-17(25-2)20(19)26-3/h4-5,7-9,16,22-23H,6,10-11H2,1-3H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052081
PNG
(CHEMBL91064 | [3-Hydroxymethyl-1-(3-methanesulfony...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3cc(OC)c(OC)c(c3)S(C)(=O)=O)c2cc1OC
Show InChI InChI=1S/C23H26O8S/c1-28-18-7-13-6-15(11-24)17(12-25)22(16(13)10-19(18)29-2)14-8-20(30-3)23(31-4)21(9-14)32(5,26)27/h6-10,24-25H,11-12H2,1-5H3
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n/an/a 5.30E+4n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052089
PNG
((3-Hydroxymethyl-6,7-dimethoxy-naphthalen-2-yl)-me...)
Show SMILES COc1cc2cc(CO)c(CO)cc2cc1OC
Show InChI InChI=1S/C14H16O4/c1-17-13-5-9-3-11(7-15)12(8-16)4-10(9)6-14(13)18-2/h3-6,15-16H,7-8H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50052084
PNG
(CHEMBL92043 | N-[5-(2,3-Bis-hydroxymethyl-6,7-dime...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3cc(NC(C)=O)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C24H27NO7/c1-13(28)25-19-7-15(9-22(31-4)24(19)32-5)23-17-10-21(30-3)20(29-2)8-14(17)6-16(11-26)18(23)12-27/h6-10,26-27H,11-12H2,1-5H3,(H,25,28)
PDB
MMDB

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UniProtKB/SwissProt

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GoogleScholar
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UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair