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Compile Data Set for Download or QSAR

Found 11 hits of ki data for complexid = 50000730   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50028190
PNG
(7-(2-Hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-puri...)
Show SMILES CC(O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung indole N-methyl-transferase by using S-adenosyl-L-[methyl-3H]-methionine as radioligand.


J Med Chem 26: 1514-8 (1983)


Article DOI: 10.1021/jm00364a029
BindingDB Entry DOI: 10.7270/Q21Z43F5
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50028191
PNG
((R)-7-(2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6...)
Show SMILES C[C@@H](O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3/t6-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung indole N-methyl-transferase by using S-adenosyl-L-[methyl-3H]-methionine as radioligand.


J Med Chem 26: 1514-8 (1983)


Article DOI: 10.1021/jm00364a029
BindingDB Entry DOI: 10.7270/Q21Z43F5
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50028192
PNG
((S)-7-(2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6...)
Show SMILES C[C@H](O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3/t6-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against catechol O-methyltransferase


J Med Chem 26: 1514-8 (1983)


Article DOI: 10.1021/jm00364a029
BindingDB Entry DOI: 10.7270/Q21Z43F5
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50027177
PNG
(CILOSTAMIDE | Cilostamide)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2nc(O)ccc2c1
Show InChI InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for low Km cAMP phosphodiesterase PDE III of human platelets


J Med Chem 28: 537-45 (1985)


Article DOI: 10.1021/jm50001a001
BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50027177
PNG
(CILOSTAMIDE | Cilostamide)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2nc(O)ccc2c1
Show InChI InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)
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20n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 3


J Med Chem 48: 3449-62 (2005)


Article DOI: 10.1021/jm040217u
BindingDB Entry DOI: 10.7270/Q21G0N2H
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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150n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 3


J Med Chem 48: 3449-62 (2005)


Article DOI: 10.1021/jm040217u
BindingDB Entry DOI: 10.7270/Q21G0N2H
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50225509
PNG
(OXAGRELATE | Oxagrelate | SC-32840)
Show SMILES CCOC(=O)c1c(C)cc2c(CO)nnc(O)c2c1C
Show InChI InChI=1S/C14H16N2O4/c1-4-20-14(19)11-7(2)5-9-10(6-17)15-16-13(18)12(9)8(11)3/h5,17H,4,6H2,1-3H3,(H,16,18)
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1.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for low Km cAMP phosphodiesterase PDE III of human platelets


J Med Chem 28: 537-45 (1985)


Article DOI: 10.1021/jm50001a001
BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50225504
PNG
(EHT-0202 | ETAZOLATE | Etazolate | SQ-20009)
Show SMILES CCOC(=O)c1cnc2n(CC)ncc2c1NN=C(C)C
Show InChI InChI=1S/C14H19N5O2/c1-5-19-13-10(8-16-19)12(18-17-9(3)4)11(7-15-13)14(20)21-6-2/h7-8H,5-6H2,1-4H3,(H,15,18)
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1.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for low Km cAMP phosphodiesterase PDE III of sheep lung


J Med Chem 28: 537-45 (1985)


Article DOI: 10.1021/jm50001a001
BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50020874
PNG
((3-Chloro-phenyl)-(4-phenyl-phthalazin-1-yl)-amine...)
Show SMILES Clc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1
Show InChI InChI=1S/C20H14ClN3/c21-15-9-6-10-16(13-15)22-20-18-12-5-4-11-17(18)19(23-24-20)14-7-2-1-3-8-14/h1-13H,(H,22,24)
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1.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for low Km cAMP phosphodiesterase PDE III of human platelets


J Med Chem 28: 537-45 (1985)


Article DOI: 10.1021/jm50001a001
BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50225505
PNG
(CHEMBL358641 | ICI-58301)
Show SMILES CCCc1nc(C)cn2c(NC(C)=O)nnc12
Show InChI InChI=1S/C11H15N5O/c1-4-5-9-10-14-15-11(13-8(3)17)16(10)6-7(2)12-9/h6H,4-5H2,1-3H3,(H,13,15,17)
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2.17E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for low Km cAMP phosphodiesterase PDE II of sheep lung


J Med Chem 28: 537-45 (1985)


Article DOI: 10.1021/jm50001a001
BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50225506
PNG
(CHEMBL150093)
Show SMILES CCOC(CN1CCN(CC1)S(=O)(=O)c1ccc2ncnc(N(C)c3ccccc3)c2c1)c1ccccc1
Show InChI InChI=1S/C29H33N5O3S/c1-3-37-28(23-10-6-4-7-11-23)21-33-16-18-34(19-17-33)38(35,36)25-14-15-27-26(20-25)29(31-22-30-27)32(2)24-12-8-5-9-13-24/h4-15,20,22,28H,3,16-19,21H2,1-2H3
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2.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for low Km cAMP phosphodiesterase PDE III of human platelets


J Med Chem 28: 537-45 (1985)


Article DOI: 10.1021/jm50001a001
BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair