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Compile Data Set for Download or QSAR

Found 284 hits Enz. Inhib. hit(s) with Target = 'Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B'   
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
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM14769
PNG
(6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-...)
Show SMILES COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)
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Article
PubMed
n/an/a>2.00E+5n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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n/an/a>2.00E+5n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM14771
PNG
((E)-{1-[3-(cyclopentyloxy)-4-methoxyphenyl]ethylid...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(C)=NOC(N)=O
Show InChI InChI=1S/C15H20N2O4/c1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,16,18)
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n/an/a 1.90E+5n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM14772
PNG
((R,S)-Mesopram | 5-(4-methoxy-3-propoxy-phenyl)-5-...)
Show SMILES CCCOc1cc(ccc1OC)C1(C)CNC(=O)O1
Show InChI InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)
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n/an/a>2.00E+5n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM14777
PNG
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)
Show SMILES CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1
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n/an/a 5.00E+4n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM14774
PNG
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
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n/an/a>2.00E+5n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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n/an/a 6.80E+4n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 1.50E+3n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM14776
PNG
(2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...)
Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
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n/an/a 300n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM14773
PNG
(4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclo...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCC(CC1)C(O)=O)C#N
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)
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n/an/a 8.70E+4n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM86642
PNG
(BC11-38 | US9173884, BC11-38)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C15H16N2OS2/c1-2-9-20-15-16-12-8-10-19-13(12)14(18)17(15)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM60812
PNG
(BDBM86641 | US9173884, BC11-28)
Show SMILES Cc1ccccc1Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H19FN4/c1-17-7-5-6-10-22(17)29-24-23-21(18-8-3-2-4-9-18)15-30(25(23)28-16-27-24)20-13-11-19(26)12-14-20/h2-16H,1H3,(H,27,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM60808
PNG
(BDBM86640 | US9173884, BC11-19)
Show SMILES O=c1nc2sc3ccccc3n2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C15H9N3O2S/c19-13-16-14-18(11-8-4-5-9-12(11)21-14)15(20)17(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM86639
PNG
(BC11-15 | US9173884, BC11-15)
Show SMILES CCN(CC)C(=O)c1cc(nc2n(nc(C)c12)-c1ccccc1C)-c1cccs1
Show InChI InChI=1S/C23H24N4OS/c1-5-26(6-2)23(28)17-14-18(20-12-9-13-29-20)24-22-21(17)16(4)25-27(22)19-11-8-7-10-15(19)3/h7-14H,5-6H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM86643
PNG
(BC11-38-1 | US9173884, BC11-38-1)
Show SMILES CCCCSc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H18N2OS2/c1-2-3-10-21-16-17-13-9-11-20-14(13)15(19)18(16)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM86644
PNG
(BC11-38-2 | US9173884, BC11-38-2)
Show SMILES CCC(C)Sc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H18N2OS2/c1-3-11(2)21-16-17-13-9-10-20-14(13)15(19)18(16)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
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Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM86645
PNG
(BC11-38-3 | US9173884, BC11-38-3)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccc(C)cc1
Show InChI InChI=1S/C16H18N2OS2/c1-3-9-21-16-17-13-8-10-20-14(13)15(19)18(16)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC
Show InChI InChI=1S/C16H18N2O2S2/c1-3-9-22-16-17-11-8-10-21-14(11)15(19)18(16)12-6-4-5-7-13(12)20-2/h4-7H,3,8-10H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50014718
PNG
(CHEMBL3262027)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2c(nccn12)N1CCOCC1
Show InChI InChI=1S/C19H22N4O4/c1-24-15-10-13(11-16(25-2)17(15)26-3)14-12-21-19-18(20-4-5-23(14)19)22-6-8-27-9-7-22/h4-5,10-12H,6-9H2,1-3H3
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n/an/a 2.51E+3n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1B (unknown origin)


J Med Chem 57: 4196-212 (2014)


Article DOI: 10.1021/jm500073h
BindingDB Entry DOI: 10.7270/Q2X068K6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50014817
PNG
(CHEMBL3262029)
Show SMILES COCCn1cc(cn1)-c1cnc2c(nccn12)N1CCOCC1
Show InChI InChI=1S/C16H20N6O2/c1-23-7-6-21-12-13(10-19-21)14-11-18-16-15(17-2-3-22(14)16)20-4-8-24-9-5-20/h2-3,10-12H,4-9H2,1H3
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n/an/a<1.00E+4n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1B (unknown origin)


J Med Chem 57: 4196-212 (2014)


Article DOI: 10.1021/jm500073h
BindingDB Entry DOI: 10.7270/Q2X068K6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50034647
PNG
(CHEMBL3360412)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)/t12-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE1B2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50034649
PNG
(CHEMBL3360413)
Show SMILES COc1ccc(NC(=O)[C@H](C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)/t12-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE1B2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM98891
PNG
(US8497265, 217 | US8497265, 239)
Show SMILES OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C22H25N5O2/c28-15-16-7-11-26(12-8-16)21-22(24-10-9-23-21)29-18-13-27(14-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-6,9-10,16,18,28H,7-8,11-15H2
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n/an/a 8.04E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE1B using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM98872
PNG
(US8497265, 198)
Show SMILES OCC1CCN(CC1)c1nccnc1OC1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C24H29N5O2/c30-17-18-7-13-29(14-8-18)23-24(26-12-11-25-23)31-20-9-15-28(16-10-20)22-6-5-19-3-1-2-4-21(19)27-22/h1-6,11-12,18,20,30H,7-10,13-17H2
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n/an/a 7.92E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE1B using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM98933
PNG
(US8497265, 345)
Show SMILES OCC1CCN(CC1)c1cnccc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H26N4O2/c28-16-17-8-11-26(12-9-17)21-13-24-10-7-22(21)29-19-14-27(15-19)23-6-5-18-3-1-2-4-20(18)25-23/h1-7,10,13,17,19,28H,8-9,11-12,14-16H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE1B using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM98898
PNG
(US8497265, 224)
Show SMILES OCC1CCN(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H27N5O2/c32-17-18-11-13-30(14-12-18)25-26(29-23-8-4-3-7-22(23)28-25)33-20-15-31(16-20)24-10-9-19-5-1-2-6-21(19)27-24/h1-10,18,20,32H,11-17H2
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n/an/a 7.61E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE1B using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM98990
PNG
(US8497265, 446)
Show SMILES Nc1ncc2cc(ccc2n1)-c1nccnc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C24H19N7O/c25-24-28-12-17-11-16(5-7-20(17)30-24)22-23(27-10-9-26-22)32-18-13-31(14-18)21-8-6-15-3-1-2-4-19(15)29-21/h1-12,18H,13-14H2,(H2,25,28,30)
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n/an/a 503n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE1B using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM99145
PNG
(US8497265, 894)
Show SMILES CC(=O)N1CCC(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H25N5O2/c1-16(29)27-12-8-18(9-13-27)22-23(25-11-10-24-22)30-19-14-28(15-19)21-7-6-17-4-2-3-5-20(17)26-21/h2-7,10-11,18-19H,8-9,12-15H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE1B using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM99037
PNG
(US8497265, 677)
Show SMILES CC(=O)N1CCC(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C27H27N5O2/c1-18(33)31-14-12-20(13-15-31)26-27(30-24-9-5-4-8-23(24)29-26)34-21-16-32(17-21)25-11-10-19-6-2-3-7-22(19)28-25/h2-11,20-21H,12-17H2,1H3
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n/an/a 3.68E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE1B using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50034641
PNG
(CHEMBL3360415)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1
Show InChI InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m1/s1
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n/an/a 473n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE1B2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50034642
PNG
(CHEMBL3360416)
Show SMILES COc1ccc(NC(=O)[C@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1
Show InChI InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE1B2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50134220
PNG
(CHEMBL3739662)
Show SMILES COc1cc(Br)cc2c1nc(C)c1c(C)nc(-c3ccc(F)nc3)n21
Show InChI InChI=1S/C18H14BrFN4O/c1-9-17-10(2)23-18(11-4-5-15(20)21-8-11)24(17)13-6-12(19)7-14(25-3)16(13)22-9/h4-8H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE1B using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


Eur J Med Chem 107: 97-108 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.028
BindingDB Entry DOI: 10.7270/Q26T0PHR
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50134221
PNG
(CHEMBL3741850)
Show SMILES COc1cc(cc2c1nc(C)c1c(C)nc(-c3ccc(F)nc3)n21)-c1ccc(F)nc1
Show InChI InChI=1S/C23H17F2N5O/c1-12-22-13(2)29-23(15-5-7-20(25)27-11-15)30(22)17-8-16(9-18(31-3)21(17)28-12)14-4-6-19(24)26-10-14/h4-11H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE1B using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


Eur J Med Chem 107: 97-108 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.028
BindingDB Entry DOI: 10.7270/Q26T0PHR
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50134222
PNG
(CHEMBL3741950)
Show SMILES COc1cc(Br)cc2c1nc(C)c1c(C)nc(-c3cccnc3F)n21
Show InChI InChI=1S/C18H14BrFN4O/c1-9-16-10(2)23-18(12-5-4-6-21-17(12)20)24(16)13-7-11(19)8-14(25-3)15(13)22-9/h4-8H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE1B using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


Eur J Med Chem 107: 97-108 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.028
BindingDB Entry DOI: 10.7270/Q26T0PHR
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50134223
PNG
(CHEMBL3742354)
Show SMILES COc1cc(cc2c1nc(C)c1c(C)nc(-c3cccnc3)n21)-c1cccnc1
Show InChI InChI=1S/C23H19N5O/c1-14-22-15(2)27-23(17-7-5-9-25-13-17)28(22)19-10-18(16-6-4-8-24-12-16)11-20(29-3)21(19)26-14/h4-13H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE1B using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


Eur J Med Chem 107: 97-108 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.028
BindingDB Entry DOI: 10.7270/Q26T0PHR
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50134224
PNG
(CHEMBL3741781)
Show SMILES COc1cc(cc2c1nc(C)c1c(C)nc(-c3ccncc3)n21)-c1ccc(F)nc1
Show InChI InChI=1S/C23H18FN5O/c1-13-22-14(2)28-23(15-6-8-25-9-7-15)29(22)18-10-17(11-19(30-3)21(18)27-13)16-4-5-20(24)26-12-16/h4-12H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE1B using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


Eur J Med Chem 107: 97-108 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.028
BindingDB Entry DOI: 10.7270/Q26T0PHR
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50134225
PNG
(CHEMBL3739783)
Show SMILES COc1cc(cc2c1nc(C)c1c(C)nc(-c3cccnc3)n21)-c1ccc(F)nc1
Show InChI InChI=1S/C23H18FN5O/c1-13-22-14(2)28-23(16-5-4-8-25-11-16)29(22)18-9-17(10-19(30-3)21(18)27-13)15-6-7-20(24)26-12-15/h4-12H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE1B using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


Eur J Med Chem 107: 97-108 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.028
BindingDB Entry DOI: 10.7270/Q26T0PHR
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50259059
PNG
(3-isopropyl-5-{[(1S,2R)-2-(2-morpholin-4-ylethoxy)...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1OCCN1CCOCC1)[nH]c2=O
Show InChI InChI=1S/C21H33N5O3/c1-14(2)18-19-20(25-24-18)21(27)23-17(22-19)13-15-5-3-4-6-16(15)29-12-9-26-7-10-28-11-8-26/h14-16H,3-13H2,1-2H3,(H,24,25)(H,22,23,27)/t15-,16+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1b


Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50259108
PNG
((-)3-Isopropyl-5-{[(trans)-2-(pyrimidin-2-ylamino)...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncccn1)[nH]c2=O
Show InChI InChI=1S/C19H25N7O/c1-11(2)15-16-17(26-25-15)18(27)24-14(23-16)10-12-6-3-4-7-13(12)22-19-20-8-5-9-21-19/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3,(H,25,26)(H,20,21,22)(H,23,24,27)/t12-,13+/m0/s1
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n/an/a 9.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1b


Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50259058
PNG
(3-isopropyl-1-methyl-5-(2-(2-morpholinoethoxy)benz...)
Show SMILES CC(C)c1nn(C)c2c1nc(Cc1ccccc1OCCN1CCOCC1)[nH]c2=O
Show InChI InChI=1S/C22H29N5O3/c1-15(2)19-20-21(26(3)25-19)22(28)24-18(23-20)14-16-6-4-5-7-17(16)30-13-10-27-8-11-29-12-9-27/h4-7,15H,8-14H2,1-3H3,(H,23,24,28)
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n/an/a 7.81E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1b


Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50259057
PNG
(3-isopropyl-5-(2-(2-morpholinoethoxy)benzyl)-1H-py...)
Show SMILES CC(C)c1[nH]nc2c1nc(Cc1ccccc1OCCN1CCOCC1)[nH]c2=O
Show InChI InChI=1S/C21H27N5O3/c1-14(2)18-19-20(25-24-18)21(27)23-17(22-19)13-15-5-3-4-6-16(15)29-12-9-26-7-10-28-11-8-26/h3-6,14H,7-13H2,1-2H3,(H,24,25)(H,22,23,27)
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PubMed
n/an/a 4.95E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1b


Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50259016
PNG
(3-isopropyl-5-(2-(trifluoromethoxy)benzyl)-1H-pyra...)
Show SMILES CC(C)c1[nH]nc2c1nc(Cc1ccccc1OC(F)(F)F)[nH]c2=O
Show InChI InChI=1S/C16H15F3N4O2/c1-8(2)12-13-14(23-22-12)15(24)21-11(20-13)7-9-5-3-4-6-10(9)25-16(17,18)19/h3-6,8H,7H2,1-2H3,(H,22,23)(H,20,21,24)
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n/an/a 2.65E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1b


Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50259017
PNG
(5-(2-(benzyloxy)benzyl)-3-isopropyl-1H-pyrazolo[4,...)
Show SMILES CC(C)c1[nH]nc2c1nc(Cc1ccccc1OCc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C22H22N4O2/c1-14(2)19-20-21(26-25-19)22(27)24-18(23-20)12-16-10-6-7-11-17(16)28-13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,25,26)(H,23,24,27)
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n/an/a 2.63E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1b


Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50259015
PNG
(5-(3-chlorobenzyl)-3-isopropyl-1H-pyrazolo[4,3-d]p...)
Show SMILES CC(C)c1[nH]nc2c1nc(Cc1cccc(Cl)c1)[nH]c2=O
Show InChI InChI=1S/C15H15ClN4O/c1-8(2)12-13-14(20-19-12)15(21)18-11(17-13)7-9-4-3-5-10(16)6-9/h3-6,8H,7H2,1-2H3,(H,19,20)(H,17,18,21)
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n/an/a 38n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1b


Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50259060
PNG
(CHEMBL466475 | N-[(1R,2S)2-(3-Isopropyl-7-oxo-6,7-...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1)[nH]c2=O
Show InChI InChI=1S/C21H32N6O2/c1-13(2)18-19-20(26-25-18)21(29)24-16(23-19)11-14-7-3-4-8-15(14)22-17(28)12-27-9-5-6-10-27/h13-15H,3-12H2,1-2H3,(H,22,28)(H,25,26)(H,23,24,29)/t14-,15+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1b


Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50259105
PNG
(CHEMBL466680 | N-{(1R,2S)-2-[(3-isopropyl-7-oxo-6,...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1NC(=O)CC1CCOCC1)[nH]c2=O
Show InChI InChI=1S/C22H33N5O3/c1-13(2)19-20-21(27-26-19)22(29)25-17(24-20)12-15-5-3-4-6-16(15)23-18(28)11-14-7-9-30-10-8-14/h13-16H,3-12H2,1-2H3,(H,23,28)(H,26,27)(H,24,25,29)/t15-,16+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1b


Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50259106
PNG
(1-{(1R,2S)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1H-py...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1NC(=O)NCCCN1CCOCC1)[nH]c2=O
Show InChI InChI=1S/C23H37N7O3/c1-15(2)19-20-21(29-28-19)22(31)27-18(26-20)14-16-6-3-4-7-17(16)25-23(32)24-8-5-9-30-10-12-33-13-11-30/h15-17H,3-14H2,1-2H3,(H,28,29)(H2,24,25,32)(H,26,27,31)/t16-,17+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1b


Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50259107
PNG
(3-isopropyl-5-(((1S, 2R)-2-(6-methylpyridazin-3-yl...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ccc(C)nn1)[nH]c2=O
Show InChI InChI=1S/C20H27N7O/c1-11(2)17-18-19(27-26-17)20(28)23-16(22-18)10-13-6-4-5-7-14(13)21-15-9-8-12(3)24-25-15/h8-9,11,13-14H,4-7,10H2,1-3H3,(H,21,25)(H,26,27)(H,22,23,28)/t13-,14+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1b


Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50259148
PNG
((-)2-({(trans)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O
Show InChI InChI=1S/C21H24F3N7O3/c1-9(2)14-15-16(31-30-14)18(32)28-13(27-15)7-10-5-3-4-6-12(10)26-20-25-8-11(19(33)34)17(29-20)21(22,23)24/h8-10,12H,3-7H2,1-2H3,(H,30,31)(H,33,34)(H,25,26,29)(H,27,28,32)/t10-,12+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1b


Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM50427452
PNG
(CHEMBL2326941)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1
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n/an/a 3.98E+3n/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant PDE1B1 using [3H]-cAMP as substrate by scintillation proximity assay


Bioorg Med Chem 24: 1573-81 (2016)


Article DOI: 10.1016/j.bmc.2016.02.032
BindingDB Entry DOI: 10.7270/Q22V2J07
More data for this
Ligand-Target Pair
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