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PubMed code 11606139

Compile data set for download or QSAR
Found 11 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))
BDBM50105987
PNG
(CHEMBL125441 | [5-(1-Benzyl-6-methoxy-1H-indazol-3...)
Show SMILES COc1ccc2c(nn(Cc3ccccc3)c2c1)-c1ccc(CO)o1
Show InChI InChI=1S/C20H18N2O3/c1-24-15-7-9-17-18(11-15)22(12-14-5-3-2-4-6-14)21-20(17)19-10-8-16(13-23)25-19/h2-11,23H,12-13H2,1H3
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PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from platelets


J Med Chem 44: 3746-9 (2001)


BindingDB Entry DOI: 10.7270/Q2H13196
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50105986
PNG
(1-Benzyl-6-fluoro-3-(5-methoxymethyl-furan-2-yl)-1...)
Show SMILES COCc1ccc(o1)-c1nn(Cc2ccccc2)c2cc(F)ccc12
Show InChI InChI=1S/C20H17FN2O2/c1-24-13-16-8-10-19(25-16)20-17-9-7-15(21)11-18(17)23(22-20)12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from platelets


J Med Chem 44: 3746-9 (2001)


BindingDB Entry DOI: 10.7270/Q2H13196
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50105994
PNG
(CHEMBL440716 | [5-(1-Benzyl-6-methyl-1H-indazol-3-...)
Show SMILES Cc1ccc2c(nn(Cc3ccccc3)c2c1)-c1ccc(CO)o1
Show InChI InChI=1S/C20H18N2O2/c1-14-7-9-17-18(11-14)22(12-15-5-3-2-4-6-15)21-20(17)19-10-8-16(13-23)24-19/h2-11,23H,12-13H2,1H3
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PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from platelets


J Med Chem 44: 3746-9 (2001)


BindingDB Entry DOI: 10.7270/Q2H13196
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50106010
PNG
(1-Benzyl-3-(5-methoxymethyl-furan-2-yl)-6-methyl-1...)
Show SMILES COCc1ccc(o1)-c1nn(Cc2ccccc2)c2cc(C)ccc12
Show InChI InChI=1S/C21H20N2O2/c1-15-8-10-18-19(12-15)23(13-16-6-4-3-5-7-16)22-21(18)20-11-9-17(25-20)14-24-2/h3-12H,13-14H2,1-2H3
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n/an/a 9.30E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from platelets


J Med Chem 44: 3746-9 (2001)


BindingDB Entry DOI: 10.7270/Q2H13196
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50105983
PNG
(1-Benzyl-3-(5-methoxymethyl-furan-2-yl)-1H-indazol...)
Show SMILES COCc1ccc(o1)-c1nn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H18N2O2/c1-23-14-16-11-12-19(24-16)20-17-9-5-6-10-18(17)22(21-20)13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3
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n/an/a 1.38E+4n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from platelets


J Med Chem 44: 3746-9 (2001)


BindingDB Entry DOI: 10.7270/Q2H13196
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50105999
PNG
(CHEMBL123034 | [5-(1-Benzyl-6-fluoro-1H-indazol-3-...)
Show SMILES OCc1ccc(o1)-c1nn(Cc2ccccc2)c2cc(F)ccc12
Show InChI InChI=1S/C19H15FN2O2/c20-14-6-8-16-17(10-14)22(11-13-4-2-1-3-5-13)21-19(16)18-9-7-15(12-23)24-18/h1-10,23H,11-12H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from platelets


J Med Chem 44: 3746-9 (2001)


BindingDB Entry DOI: 10.7270/Q2H13196
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50105989
PNG
(1-Benzyl-3-(5-methyl-furan-2-yl)-1H-indazole | CHE...)
Show SMILES Cc1ccc(o1)-c1nn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H16N2O/c1-14-11-12-18(22-14)19-16-9-5-6-10-17(16)21(20-19)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3
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n/an/a 2.23E+4n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from platelets


J Med Chem 44: 3746-9 (2001)


BindingDB Entry DOI: 10.7270/Q2H13196
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50095469
PNG
((5-(1-benzyl-1H-indazol-3-yl)furan-2-yl)methanol |...)
Show SMILES OCc1ccc(o1)-c1nn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H16N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2
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n/an/a 3.19E+4n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from platelets


J Med Chem 44: 3746-9 (2001)


BindingDB Entry DOI: 10.7270/Q2H13196
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50106006
PNG
(CHEMBL340558 | [5-(1-Phenyl-1H-indazol-3-yl)-furan...)
Show SMILES OCc1ccc(o1)-c1nn(-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C18H14N2O2/c21-12-14-10-11-17(22-14)18-15-8-4-5-9-16(15)20(19-18)13-6-2-1-3-7-13/h1-11,21H,12H2
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n/an/a 3.63E+4n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from platelets


J Med Chem 44: 3746-9 (2001)


BindingDB Entry DOI: 10.7270/Q2H13196
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50105996
PNG
(CHEMBL121831 | [5-(1-Benzyl-1H-indazol-3-yl)-furan...)
Show SMILES CCN(CC)Cc1ccc(o1)-c1nn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H25N3O/c1-3-25(4-2)17-19-14-15-22(27-19)23-20-12-8-9-13-21(20)26(24-23)16-18-10-6-5-7-11-18/h5-15H,3-4,16-17H2,1-2H3
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n/an/a 6.30E+4n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from platelets


J Med Chem 44: 3746-9 (2001)


BindingDB Entry DOI: 10.7270/Q2H13196
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM15336
PNG
(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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PubMed
n/an/a 6.30E+4n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from platelets


J Med Chem 44: 3746-9 (2001)


BindingDB Entry DOI: 10.7270/Q2H13196
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%