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PubMed code 9719589

Compile data set for download or QSAR
Found 13 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))
BDBM50066451
PNG
((3-Chloro-4-methoxy-benzyl)-(4-chloro-7-nitro-phth...)
Show SMILES COc1ccc(CNc2nnc(Cl)c3ccc(cc23)[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C16H12Cl2N4O3/c1-25-14-5-2-9(6-13(14)17)8-19-16-12-7-10(22(23)24)3-4-11(12)15(18)20-21-16/h2-7H,8H2,1H3,(H,19,21)
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Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from porcine platelets


J Med Chem 41: 3367-72 (1998)


Article DOI: 10.1021/jm970815r
BindingDB Entry DOI: 10.7270/Q2MS3RXG
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50066450
PNG
(1-Chloro-4-(3-chloro-4-methoxy-benzylamino)-phthal...)
Show SMILES COc1ccc(CNc2nnc(Cl)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C17H12Cl2N4O/c1-24-15-5-3-11(7-14(15)18)9-21-17-13-6-10(8-20)2-4-12(13)16(19)22-23-17/h2-7H,9H2,1H3,(H,21,23)
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PubMed
n/an/a 4.80n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from porcine platelets


J Med Chem 41: 3367-72 (1998)


Article DOI: 10.1021/jm970815r
BindingDB Entry DOI: 10.7270/Q2MS3RXG
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50066448
PNG
((3-Chloro-4-methoxy-benzyl)-(4-chloro-7-trifluorom...)
Show SMILES COc1ccc(CNc2nnc(Cl)c3ccc(cc23)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C17H12Cl2F3N3O/c1-26-14-5-2-9(6-13(14)18)8-23-16-12-7-10(17(20,21)22)3-4-11(12)15(19)24-25-16/h2-7H,8H2,1H3,(H,23,25)
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PubMed
n/an/a 5.30n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from porcine platelets


J Med Chem 41: 3367-72 (1998)


Article DOI: 10.1021/jm970815r
BindingDB Entry DOI: 10.7270/Q2MS3RXG
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50066454
PNG
(CHEMBL25616 | Sodium; 1-{4-[(benzo[1,3]dioxol-5-yl...)
Show SMILES [O-]C(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C22H21ClN4O4/c23-15-2-3-17-16(10-15)20(24-11-13-1-4-18-19(9-13)31-12-30-18)26-22(25-17)27-7-5-14(6-8-27)21(28)29/h1-4,9-10,14H,5-8,11-12H2,(H,28,29)(H,24,25,26)/p-1
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PubMed
n/an/a 8.60n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from porcine platelets


J Med Chem 41: 3367-72 (1998)


Article DOI: 10.1021/jm970815r
BindingDB Entry DOI: 10.7270/Q2MS3RXG
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50066447
PNG
(1-Chloro-4-(3-chloro-4-ethoxy-benzylamino)-phthala...)
Show SMILES CCOc1ccc(CNc2nnc(Cl)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C18H14Cl2N4O/c1-2-25-16-6-4-12(8-15(16)19)10-22-18-14-7-11(9-21)3-5-13(14)17(20)23-24-18/h3-8H,2,10H2,1H3,(H,22,24)
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PubMed
n/an/a 49n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from porcine platelets


J Med Chem 41: 3367-72 (1998)


Article DOI: 10.1021/jm970815r
BindingDB Entry DOI: 10.7270/Q2MS3RXG
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50066452
PNG
((3-Chloro-4-methoxy-benzyl)-(4,7-dichloro-phthalaz...)
Show SMILES COc1ccc(CNc2nnc(Cl)c3ccc(Cl)cc23)cc1Cl
Show InChI InChI=1S/C16H12Cl3N3O/c1-23-14-5-2-9(6-13(14)18)8-20-16-12-7-10(17)3-4-11(12)15(19)21-22-16/h2-7H,8H2,1H3,(H,20,22)
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PubMed
n/an/a 54n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from porcine platelets


J Med Chem 41: 3367-72 (1998)


Article DOI: 10.1021/jm970815r
BindingDB Entry DOI: 10.7270/Q2MS3RXG
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50066449
PNG
(Benzo[1,3]dioxol-5-ylmethyl-(4-chloro-7-nitro-phth...)
Show SMILES [O-][N+](=O)c1ccc2c(Cl)nnc(NCc3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C16H11ClN4O4/c17-15-11-3-2-10(21(22)23)6-12(11)16(20-19-15)18-7-9-1-4-13-14(5-9)25-8-24-13/h1-6H,7-8H2,(H,18,20)
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PubMed
n/an/a 63n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from porcine platelets


J Med Chem 41: 3367-72 (1998)


Article DOI: 10.1021/jm970815r
BindingDB Entry DOI: 10.7270/Q2MS3RXG
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50066457
PNG
(1-Chloro-4-[1-(3-chloro-4-methoxy-phenyl)-ethylami...)
Show SMILES COc1ccc(cc1Cl)C(C)Nc1nnc(Cl)c2ccc(cc12)C#N
Show InChI InChI=1S/C18H14Cl2N4O/c1-10(12-4-6-16(25-2)15(19)8-12)22-18-14-7-11(9-21)3-5-13(14)17(20)23-24-18/h3-8,10H,1-2H3,(H,22,24)
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PubMed
n/an/a 98n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from porcine platelets


J Med Chem 41: 3367-72 (1998)


Article DOI: 10.1021/jm970815r
BindingDB Entry DOI: 10.7270/Q2MS3RXG
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50066446
PNG
(4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-1-chloro-p...)
Show SMILES Clc1nnc(NCc2ccc3OCOc3c2)c2cc(ccc12)C#N
Show InChI InChI=1S/C17H11ClN4O2/c18-16-12-3-1-10(7-19)5-13(12)17(22-21-16)20-8-11-2-4-14-15(6-11)24-9-23-14/h1-6H,8-9H2,(H,20,22)
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PubMed
n/an/a 100n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from porcine platelets


J Med Chem 41: 3367-72 (1998)


Article DOI: 10.1021/jm970815r
BindingDB Entry DOI: 10.7270/Q2MS3RXG
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50066445
PNG
(4-Chloro-1-(3-chloro-4-methoxy-benzylamino)-phthal...)
Show SMILES COc1ccc(CNc2nnc(Cl)c3cc(ccc23)C#N)cc1Cl
Show InChI InChI=1S/C17H12Cl2N4O/c1-24-15-5-3-11(7-14(15)18)9-21-17-12-4-2-10(8-20)6-13(12)16(19)22-23-17/h2-7H,9H2,1H3,(H,21,23)
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PubMed
n/an/a 140n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from porcine platelets


J Med Chem 41: 3367-72 (1998)


Article DOI: 10.1021/jm970815r
BindingDB Entry DOI: 10.7270/Q2MS3RXG
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50066456
PNG
(1-Chloro-4-(4-methoxy-benzylamino)-phthalazine-6-c...)
Show SMILES COc1ccc(CNc2nnc(Cl)c3ccc(cc23)C#N)cc1
Show InChI InChI=1S/C17H13ClN4O/c1-23-13-5-2-11(3-6-13)10-20-17-15-8-12(9-19)4-7-14(15)16(18)21-22-17/h2-8H,10H2,1H3,(H,20,22)
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PubMed
n/an/a 140n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from porcine platelets


J Med Chem 41: 3367-72 (1998)


Article DOI: 10.1021/jm970815r
BindingDB Entry DOI: 10.7270/Q2MS3RXG
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50066455
PNG
((3-Chloro-4-methoxy-benzyl)-(4,6-dichloro-phthalaz...)
Show SMILES COc1ccc(CNc2nnc(Cl)c3cc(Cl)ccc23)cc1Cl
Show InChI InChI=1S/C16H12Cl3N3O/c1-23-14-5-2-9(6-13(14)18)8-20-16-11-4-3-10(17)7-12(11)15(19)21-22-16/h2-7H,8H2,1H3,(H,20,22)
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PubMed
n/an/a 810n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from porcine platelets


J Med Chem 41: 3367-72 (1998)


Article DOI: 10.1021/jm970815r
BindingDB Entry DOI: 10.7270/Q2MS3RXG
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50066453
PNG
(Benzo[1,3]dioxol-5-ylmethyl-(4-chloro-6-nitro-phth...)
Show SMILES [O-][N+](=O)c1ccc2c(NCc3ccc4OCOc4c3)nnc(Cl)c2c1
Show InChI InChI=1S/C16H11ClN4O4/c17-15-12-6-10(21(22)23)2-3-11(12)16(20-19-15)18-7-9-1-4-13-14(5-9)25-8-24-13/h1-6H,7-8H2,(H,18,20)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from porcine platelets


J Med Chem 41: 3367-72 (1998)


Article DOI: 10.1021/jm970815r
BindingDB Entry DOI: 10.7270/Q2MS3RXG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%