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Compile Data Set for Download or QSAR

Found 12 hits of ki for UniProtKB: A0A024RB59   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM168129
PNG
(US9073936, 4 | US9598426, 4)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)c(C)c3)c2C1=O
Show InChI InChI=1S/C26H27FN6O2/c1-15-12-19(10-11-20(15)27)28-22-21-23(32-14-26(3,4)29-25(32)31(5)24(21)35)30-33(22)13-17-6-8-18(9-7-17)16(2)34/h6-12,28H,13-14H2,1-5H3
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US Patent
0.400n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies Inc

US Patent




US Patent US9598426 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T2J
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM168126
PNG
(US9073936, 1 | US9598426, 1)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)cc3)c2C1=O
Show InChI InChI=1S/C25H25FN6O2/c1-15(33)17-7-5-16(6-8-17)13-32-21(27-19-11-9-18(26)10-12-19)20-22(29-32)31-14-25(2,3)28-24(31)30(4)23(20)34/h5-12,27H,13-14H2,1-4H3
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1n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies Inc

US Patent




US Patent US9598426 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T2J
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM168128
PNG
(US9073936, 3 | US9598426, 3)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)c(F)c3)c2C1=O
Show InChI InChI=1S/C25H24F2N6O2/c1-14(34)16-7-5-15(6-8-16)12-33-21(28-17-9-10-18(26)19(27)11-17)20-22(30-33)32-13-25(2,3)29-24(32)31(4)23(20)35/h5-11,28H,12-13H2,1-4H3
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4n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies Inc

US Patent




US Patent US9598426 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T2J
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM168127
PNG
(US9073936, 2 | US9598426, 2)
Show SMILES CC(O)c1ccc(Cn2nc3N4CC(C)(C)N=C4N(C)C(=O)c3c2Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H27FN6O2/c1-15(33)17-7-5-16(6-8-17)13-32-21(27-19-11-9-18(26)10-12-19)20-22(29-32)31-14-25(2,3)28-24(31)30(4)23(20)34/h5-12,15,27,33H,13-14H2,1-4H3
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4n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies Inc

US Patent




US Patent US9598426 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T2J
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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)


Article DOI: 10.1021/jm50001a001
BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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)


Article DOI: 10.1021/jm50001a001
BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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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1.00E+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)


Article DOI: 10.1021/jm50001a001
BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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
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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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
Phosphodiesterase 1


(Homo sapiens (Human))
BDBM50225507
PNG
(CHEMBL151056)
Show SMILES CCOC(=O)C1=CC2C(CC)CCN3CCc4c(C23)n1c1ccccc41
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)


Article DOI: 10.1021/jm50001a001
BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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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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)


Article DOI: 10.1021/jm50001a001
BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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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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)


Article DOI: 10.1021/jm50001a001
BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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)


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