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Compile Data Set for Download or QSAR

Found 8 hits of ki for UniProtKB: P54750   
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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(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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4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human brain


J Med Chem 28: 537-45 (1985)


BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(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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9.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human brain


J Med Chem 28: 537-45 (1985)


BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
BDBM50225509
PNG
(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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1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human brain


J Med Chem 28: 537-45 (1985)


BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
BDBM50059033
PNG
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)
Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5|
Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1
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Article
PubMed
1.40E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 1


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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
BDBM50225507
PNG
(CHEMBL151056)
Show SMILES CCOC(=O)C1=CC2C(CC)CCN3CCc4c(C23)n1c1ccccc41 |t:5|
Show InChI InChI=1S/C22H26N2O2/c1-3-14-9-11-23-12-10-16-15-7-5-6-8-18(15)24-19(22(25)26-4-2)13-17(14)20(23)21(16)24/h5-8,13-14,17,20H,3-4,9-12H2,1-2H3
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1.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human brain


J Med Chem 28: 537-45 (1985)


BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
BDBM50027177
PNG
(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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2.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human brain


J Med Chem 28: 537-45 (1985)


BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
BDBM50225504
PNG
(EHT-0202 | Etazolate | SQ-20009)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1cnc2n(-[#6]-[#6])ncc2c1-[#7]\[#7]=[#6](\[#6])-[#6]
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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6.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of sheep lung


J Med Chem 28: 537-45 (1985)


BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(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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7.17E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of sheep lung


J Med Chem 28: 537-45 (1985)


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