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Compile Data Set for Download or QSAR

Found 49 hits of ic50 data for polymerid = 50006636   
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
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50019865
PNG
(CHEMBL3286929)
Show SMILES C(Oc1ccc(cc1)-c1nc2ccccc2n1Cc1ccccc1)[C@H](C1CCNCC1)n1c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C40H37N5O/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31/h1-22,30,38,41H,23-28H2/t38-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529743
PNG
(CHEMBL4440294)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2ccc(cc2)N(C)C)n1Cc1ccccc1
Show InChI InChI=1S/C29H33N5OS/c1-21(2)18-27-31-32-29(34(27)19-22-8-6-5-7-9-22)36-20-23-10-12-24(13-11-23)28(35)30-25-14-16-26(17-15-25)33(3)4/h5-17,21H,18-20H2,1-4H3,(H,30,35)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529743
PNG
(CHEMBL4440294)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2ccc(cc2)N(C)C)n1Cc1ccccc1
Show InChI InChI=1S/C29H33N5OS/c1-21(2)18-27-31-32-29(34(27)19-22-8-6-5-7-9-22)36-20-23-10-12-24(13-11-23)28(35)30-25-14-16-26(17-15-25)33(3)4/h5-17,21H,18-20H2,1-4H3,(H,30,35)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50019865
PNG
(CHEMBL3286929)
Show SMILES C(Oc1ccc(cc1)-c1nc2ccccc2n1Cc1ccccc1)[C@H](C1CCNCC1)n1c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C40H37N5O/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31/h1-22,30,38,41H,23-28H2/t38-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529737
PNG
(CHEMBL4459864)
Show SMILES COc1ccc(CSc2nnc(-c3ccc(OCC(=O)NC4CCCCC4)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C31H34N4O3S/c1-37-27-16-12-24(13-17-27)22-39-31-34-33-30(35(31)20-23-8-4-2-5-9-23)25-14-18-28(19-15-25)38-21-29(36)32-26-10-6-3-7-11-26/h2,4-5,8-9,12-19,26H,3,6-7,10-11,20-22H2,1H3,(H,32,36)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529737
PNG
(CHEMBL4459864)
Show SMILES COc1ccc(CSc2nnc(-c3ccc(OCC(=O)NC4CCCCC4)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C31H34N4O3S/c1-37-27-16-12-24(13-17-27)22-39-31-34-33-30(35(31)20-23-8-4-2-5-9-23)25-14-18-28(19-15-25)38-21-29(36)32-26-10-6-3-7-11-26/h2,4-5,8-9,12-19,26H,3,6-7,10-11,20-22H2,1H3,(H,32,36)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529732
PNG
(CHEMBL4527667)
Show SMILES COc1ccc(CSc2nnc(-c3ccc(OCC(=O)Nc4cccnc4)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C30H27N5O3S/c1-37-26-13-9-23(10-14-26)21-39-30-34-33-29(35(30)19-22-6-3-2-4-7-22)24-11-15-27(16-12-24)38-20-28(36)32-25-8-5-17-31-18-25/h2-18H,19-21H2,1H3,(H,32,36)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529736
PNG
(CHEMBL4555739)
Show SMILES COc1ccc(CCc2nnc(-c3ccc(OC(C)C(=O)Nc4cnn(C)c4)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C31H32N6O3/c1-22(31(38)33-26-19-32-36(2)21-26)40-28-16-12-25(13-17-28)30-35-34-29(37(30)20-24-7-5-4-6-8-24)18-11-23-9-14-27(39-3)15-10-23/h4-10,12-17,19,21-22H,11,18,20H2,1-3H3,(H,33,38)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529732
PNG
(CHEMBL4527667)
Show SMILES COc1ccc(CSc2nnc(-c3ccc(OCC(=O)Nc4cccnc4)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C30H27N5O3S/c1-37-26-13-9-23(10-14-26)21-39-30-34-33-29(35(30)19-22-6-3-2-4-7-22)24-11-15-27(16-12-24)38-20-28(36)32-25-8-5-17-31-18-25/h2-18H,19-21H2,1H3,(H,32,36)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529736
PNG
(CHEMBL4555739)
Show SMILES COc1ccc(CCc2nnc(-c3ccc(OC(C)C(=O)Nc4cnn(C)c4)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C31H32N6O3/c1-22(31(38)33-26-19-32-36(2)21-26)40-28-16-12-25(13-17-28)30-35-34-29(37(30)20-24-7-5-4-6-8-24)18-11-23-9-14-27(39-3)15-10-23/h4-10,12-17,19,21-22H,11,18,20H2,1-3H3,(H,33,38)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529734
PNG
(CHEMBL4532027)
Show SMILES CCC(Oc1ccc(cc1)-c1nnc(CCc2ccc(OC)cc2)n1Cc1ccccc1)C(=O)Nc1cnn(C)c1
Show InChI InChI=1S/C32H34N6O3/c1-4-29(32(39)34-26-20-33-37(2)22-26)41-28-17-13-25(14-18-28)31-36-35-30(38(31)21-24-8-6-5-7-9-24)19-12-23-10-15-27(40-3)16-11-23/h5-11,13-18,20,22,29H,4,12,19,21H2,1-3H3,(H,34,39)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529734
PNG
(CHEMBL4532027)
Show SMILES CCC(Oc1ccc(cc1)-c1nnc(CCc2ccc(OC)cc2)n1Cc1ccccc1)C(=O)Nc1cnn(C)c1
Show InChI InChI=1S/C32H34N6O3/c1-4-29(32(39)34-26-20-33-37(2)22-26)41-28-17-13-25(14-18-28)31-36-35-30(38(31)21-24-8-6-5-7-9-24)19-12-23-10-15-27(40-3)16-11-23/h5-11,13-18,20,22,29H,4,12,19,21H2,1-3H3,(H,34,39)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529738
PNG
(CHEMBL4514611)
Show SMILES COc1ccc(CSc2nnc(-c3ccc(OCC(=O)Nc4cnn(C)c4)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C29H28N6O3S/c1-34-18-24(16-30-34)31-27(36)19-38-26-14-10-23(11-15-26)28-32-33-29(35(28)17-21-6-4-3-5-7-21)39-20-22-8-12-25(37-2)13-9-22/h3-16,18H,17,19-20H2,1-2H3,(H,31,36)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529738
PNG
(CHEMBL4514611)
Show SMILES COc1ccc(CSc2nnc(-c3ccc(OCC(=O)Nc4cnn(C)c4)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C29H28N6O3S/c1-34-18-24(16-30-34)31-27(36)19-38-26-14-10-23(11-15-26)28-32-33-29(35(28)17-21-6-4-3-5-7-21)39-20-22-8-12-25(37-2)13-9-22/h3-16,18H,17,19-20H2,1-2H3,(H,31,36)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529745
PNG
(CHEMBL4548659)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2ccc(F)cc2)n1Cc1ccccc1
Show InChI InChI=1S/C27H27FN4OS/c1-19(2)16-25-30-31-27(32(25)17-20-6-4-3-5-7-20)34-18-21-8-10-22(11-9-21)26(33)29-24-14-12-23(28)13-15-24/h3-15,19H,16-18H2,1-2H3,(H,29,33)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529745
PNG
(CHEMBL4548659)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2ccc(F)cc2)n1Cc1ccccc1
Show InChI InChI=1S/C27H27FN4OS/c1-19(2)16-25-30-31-27(32(25)17-20-6-4-3-5-7-20)34-18-21-8-10-22(11-9-21)26(33)29-24-14-12-23(28)13-15-24/h3-15,19H,16-18H2,1-2H3,(H,29,33)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529740
PNG
(CHEMBL4536719)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)NC2CCCCC2)n1Cc1ccccc1
Show InChI InChI=1S/C27H34N4OS/c1-20(2)17-25-29-30-27(31(25)18-21-9-5-3-6-10-21)33-19-22-13-15-23(16-14-22)26(32)28-24-11-7-4-8-12-24/h3,5-6,9-10,13-16,20,24H,4,7-8,11-12,17-19H2,1-2H3,(H,28,32)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529740
PNG
(CHEMBL4536719)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)NC2CCCCC2)n1Cc1ccccc1
Show InChI InChI=1S/C27H34N4OS/c1-20(2)17-25-29-30-27(31(25)18-21-9-5-3-6-10-21)33-19-22-13-15-23(16-14-22)26(32)28-24-11-7-4-8-12-24/h3,5-6,9-10,13-16,20,24H,4,7-8,11-12,17-19H2,1-2H3,(H,28,32)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529749
PNG
(CHEMBL4440110)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2ccccc2F)n1Cc1ccccc1
Show InChI InChI=1S/C27H27FN4OS/c1-19(2)16-25-30-31-27(32(25)17-20-8-4-3-5-9-20)34-18-21-12-14-22(15-13-21)26(33)29-24-11-7-6-10-23(24)28/h3-15,19H,16-18H2,1-2H3,(H,29,33)
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n/an/a 33n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529749
PNG
(CHEMBL4440110)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2ccccc2F)n1Cc1ccccc1
Show InChI InChI=1S/C27H27FN4OS/c1-19(2)16-25-30-31-27(32(25)17-20-8-4-3-5-9-20)34-18-21-12-14-22(15-13-21)26(33)29-24-11-7-6-10-23(24)28/h3-15,19H,16-18H2,1-2H3,(H,29,33)
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n/an/a 33n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529746
PNG
(CHEMBL4589625)
Show SMILES COc1ccc(CCc2nnc(-c3ccc(OC(C)(C)C(=O)Nc4cnn(C)c4)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C32H34N6O3/c1-32(2,31(39)34-26-20-33-37(3)22-26)41-28-17-13-25(14-18-28)30-36-35-29(38(30)21-24-8-6-5-7-9-24)19-12-23-10-15-27(40-4)16-11-23/h5-11,13-18,20,22H,12,19,21H2,1-4H3,(H,34,39)
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n/an/a 34n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529746
PNG
(CHEMBL4589625)
Show SMILES COc1ccc(CCc2nnc(-c3ccc(OC(C)(C)C(=O)Nc4cnn(C)c4)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C32H34N6O3/c1-32(2,31(39)34-26-20-33-37(3)22-26)41-28-17-13-25(14-18-28)30-36-35-29(38(30)21-24-8-6-5-7-9-24)19-12-23-10-15-27(40-4)16-11-23/h5-11,13-18,20,22H,12,19,21H2,1-4H3,(H,34,39)
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n/an/a 34n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529744
PNG
(CHEMBL4588289)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2ccccc2)n1Cc1ccccc1
Show InChI InChI=1S/C27H28N4OS/c1-20(2)17-25-29-30-27(31(25)18-21-9-5-3-6-10-21)33-19-22-13-15-23(16-14-22)26(32)28-24-11-7-4-8-12-24/h3-16,20H,17-19H2,1-2H3,(H,28,32)
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n/an/a 35n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529744
PNG
(CHEMBL4588289)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2ccccc2)n1Cc1ccccc1
Show InChI InChI=1S/C27H28N4OS/c1-20(2)17-25-29-30-27(31(25)18-21-9-5-3-6-10-21)33-19-22-13-15-23(16-14-22)26(32)28-24-11-7-4-8-12-24/h3-16,20H,17-19H2,1-2H3,(H,28,32)
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n/an/a 35n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529731
PNG
(CHEMBL4566147)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2cccc(F)c2)n1Cc1ccccc1
Show InChI InChI=1S/C27H27FN4OS/c1-19(2)15-25-30-31-27(32(25)17-20-7-4-3-5-8-20)34-18-21-11-13-22(14-12-21)26(33)29-24-10-6-9-23(28)16-24/h3-14,16,19H,15,17-18H2,1-2H3,(H,29,33)
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n/an/a 37n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529731
PNG
(CHEMBL4566147)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2cccc(F)c2)n1Cc1ccccc1
Show InChI InChI=1S/C27H27FN4OS/c1-19(2)15-25-30-31-27(32(25)17-20-7-4-3-5-8-20)34-18-21-11-13-22(14-12-21)26(33)29-24-10-6-9-23(28)16-24/h3-14,16,19H,15,17-18H2,1-2H3,(H,29,33)
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n/an/a 37n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529733
PNG
(CHEMBL4585643)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2ccc(cc2)-c2ccccc2)n1Cc1ccccc1
Show InChI InChI=1S/C33H32N4OS/c1-24(2)21-31-35-36-33(37(31)22-25-9-5-3-6-10-25)39-23-26-13-15-29(16-14-26)32(38)34-30-19-17-28(18-20-30)27-11-7-4-8-12-27/h3-20,24H,21-23H2,1-2H3,(H,34,38)
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n/an/a 39n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529733
PNG
(CHEMBL4585643)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2ccc(cc2)-c2ccccc2)n1Cc1ccccc1
Show InChI InChI=1S/C33H32N4OS/c1-24(2)21-31-35-36-33(37(31)22-25-9-5-3-6-10-25)39-23-26-13-15-29(16-14-26)32(38)34-30-19-17-28(18-20-30)27-11-7-4-8-12-27/h3-20,24H,21-23H2,1-2H3,(H,34,38)
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n/an/a 39n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529730
PNG
(CHEMBL4443518)
Show SMILES COc1ccc(CSc2nnc(-c3ccc(OCC(=O)Nc4cc(C)nn4C)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C30H30N6O3S/c1-21-17-27(35(2)34-21)31-28(37)19-39-26-15-11-24(12-16-26)29-32-33-30(36(29)18-22-7-5-4-6-8-22)40-20-23-9-13-25(38-3)14-10-23/h4-17H,18-20H2,1-3H3,(H,31,37)
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n/an/a 40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529730
PNG
(CHEMBL4443518)
Show SMILES COc1ccc(CSc2nnc(-c3ccc(OCC(=O)Nc4cc(C)nn4C)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C30H30N6O3S/c1-21-17-27(35(2)34-21)31-28(37)19-39-26-15-11-24(12-16-26)29-32-33-30(36(29)18-22-7-5-4-6-8-22)40-20-23-9-13-25(38-3)14-10-23/h4-17H,18-20H2,1-3H3,(H,31,37)
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n/an/a 40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529735
PNG
(CHEMBL4439169)
Show SMILES COc1ccc(CSc2nnc(-c3ccc(OCC(=O)Nc4ccc(cc4)N(C)C)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C33H33N5O3S/c1-37(2)28-15-13-27(14-16-28)34-31(39)22-41-30-19-11-26(12-20-30)32-35-36-33(38(32)21-24-7-5-4-6-8-24)42-23-25-9-17-29(40-3)18-10-25/h4-20H,21-23H2,1-3H3,(H,34,39)
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n/an/a 41n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529735
PNG
(CHEMBL4439169)
Show SMILES COc1ccc(CSc2nnc(-c3ccc(OCC(=O)Nc4ccc(cc4)N(C)C)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C33H33N5O3S/c1-37(2)28-15-13-27(14-16-28)34-31(39)22-41-30-19-11-26(12-20-30)32-35-36-33(38(32)21-24-7-5-4-6-8-24)42-23-25-9-17-29(40-3)18-10-25/h4-20H,21-23H2,1-3H3,(H,34,39)
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n/an/a 41n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529747
PNG
(CHEMBL4449262)
Show SMILES COc1ccc(CCc2nnc(-c3ccc(OCC(=O)Nc4cnn(C)c4)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C30H30N6O3/c1-35-20-25(18-31-35)32-29(37)21-39-27-15-11-24(12-16-27)30-34-33-28(36(30)19-23-6-4-3-5-7-23)17-10-22-8-13-26(38-2)14-9-22/h3-9,11-16,18,20H,10,17,19,21H2,1-2H3,(H,32,37)
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n/an/a 41n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529747
PNG
(CHEMBL4449262)
Show SMILES COc1ccc(CCc2nnc(-c3ccc(OCC(=O)Nc4cnn(C)c4)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C30H30N6O3/c1-35-20-25(18-31-35)32-29(37)21-39-27-15-11-24(12-16-27)30-34-33-28(36(30)19-23-6-4-3-5-7-23)17-10-22-8-13-26(38-2)14-9-22/h3-9,11-16,18,20H,10,17,19,21H2,1-2H3,(H,32,37)
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n/an/a 41n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529752
PNG
(CHEMBL4443194)
Show SMILES COc1ccc(NC(=O)c2ccc(CSc3nnc(CC(C)C)n3Cc3ccccc3)cc2)cc1
Show InChI InChI=1S/C28H30N4O2S/c1-20(2)17-26-30-31-28(32(26)18-21-7-5-4-6-8-21)35-19-22-9-11-23(12-10-22)27(33)29-24-13-15-25(34-3)16-14-24/h4-16,20H,17-19H2,1-3H3,(H,29,33)
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n/an/a 43n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529752
PNG
(CHEMBL4443194)
Show SMILES COc1ccc(NC(=O)c2ccc(CSc3nnc(CC(C)C)n3Cc3ccccc3)cc2)cc1
Show InChI InChI=1S/C28H30N4O2S/c1-20(2)17-26-30-31-28(32(26)18-21-7-5-4-6-8-21)35-19-22-9-11-23(12-10-22)27(33)29-24-13-15-25(34-3)16-14-24/h4-16,20H,17-19H2,1-3H3,(H,29,33)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529741
PNG
(CHEMBL4590921)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2cccc(c2)C(F)(F)F)n1Cc1ccccc1
Show InChI InChI=1S/C28H27F3N4OS/c1-19(2)15-25-33-34-27(35(25)17-20-7-4-3-5-8-20)37-18-21-11-13-22(14-12-21)26(36)32-24-10-6-9-23(16-24)28(29,30)31/h3-14,16,19H,15,17-18H2,1-2H3,(H,32,36)
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n/an/a 61n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529741
PNG
(CHEMBL4590921)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2cccc(c2)C(F)(F)F)n1Cc1ccccc1
Show InChI InChI=1S/C28H27F3N4OS/c1-19(2)15-25-33-34-27(35(25)17-20-7-4-3-5-8-20)37-18-21-11-13-22(14-12-21)26(36)32-24-10-6-9-23(16-24)28(29,30)31/h3-14,16,19H,15,17-18H2,1-2H3,(H,32,36)
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n/an/a 61n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529742
PNG
(CHEMBL4538447)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2ccc(cc2)C(F)(F)F)n1Cc1ccccc1
Show InChI InChI=1S/C28H27F3N4OS/c1-19(2)16-25-33-34-27(35(25)17-20-6-4-3-5-7-20)37-18-21-8-10-22(11-9-21)26(36)32-24-14-12-23(13-15-24)28(29,30)31/h3-15,19H,16-18H2,1-2H3,(H,32,36)
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n/an/a 64n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529742
PNG
(CHEMBL4538447)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2ccc(cc2)C(F)(F)F)n1Cc1ccccc1
Show InChI InChI=1S/C28H27F3N4OS/c1-19(2)16-25-33-34-27(35(25)17-20-6-4-3-5-7-20)37-18-21-8-10-22(11-9-21)26(36)32-24-14-12-23(13-15-24)28(29,30)31/h3-15,19H,16-18H2,1-2H3,(H,32,36)
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n/an/a 64n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529748
PNG
(CHEMBL4450839)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2ccc3ncccc3c2)n1Cc1ccccc1
Show InChI InChI=1S/C30H29N5OS/c1-21(2)17-28-33-34-30(35(28)19-22-7-4-3-5-8-22)37-20-23-10-12-24(13-11-23)29(36)32-26-14-15-27-25(18-26)9-6-16-31-27/h3-16,18,21H,17,19-20H2,1-2H3,(H,32,36)
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n/an/a 113n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529748
PNG
(CHEMBL4450839)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2ccc3ncccc3c2)n1Cc1ccccc1
Show InChI InChI=1S/C30H29N5OS/c1-21(2)17-28-33-34-30(35(28)19-22-7-4-3-5-8-22)37-20-23-10-12-24(13-11-23)29(36)32-26-14-15-27-25(18-26)9-6-16-31-27/h3-16,18,21H,17,19-20H2,1-2H3,(H,32,36)
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n/an/a 113n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529753
PNG
(CHEMBL4541410)
Show SMILES CCc1nnc(SCc2ccc(cc2)C(=O)Nc2ccc(F)cc2)n1Cc1ccccc1
Show InChI InChI=1S/C25H23FN4OS/c1-2-23-28-29-25(30(23)16-18-6-4-3-5-7-18)32-17-19-8-10-20(11-9-19)24(31)27-22-14-12-21(26)13-15-22/h3-15H,2,16-17H2,1H3,(H,27,31)
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n/an/a 137n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529753
PNG
(CHEMBL4541410)
Show SMILES CCc1nnc(SCc2ccc(cc2)C(=O)Nc2ccc(F)cc2)n1Cc1ccccc1
Show InChI InChI=1S/C25H23FN4OS/c1-2-23-28-29-25(30(23)16-18-6-4-3-5-7-18)32-17-19-8-10-20(11-9-19)24(31)27-22-14-12-21(26)13-15-22/h3-15H,2,16-17H2,1H3,(H,27,31)
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n/an/a 137n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529750
PNG
(CHEMBL4565589)
Show SMILES Cc1nnc(SCc2ccc(cc2)C(=O)Nc2ccc(F)cc2)n1Cc1ccccc1
Show InChI InChI=1S/C24H21FN4OS/c1-17-27-28-24(29(17)15-18-5-3-2-4-6-18)31-16-19-7-9-20(10-8-19)23(30)26-22-13-11-21(25)12-14-22/h2-14H,15-16H2,1H3,(H,26,30)
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n/an/a 540n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529750
PNG
(CHEMBL4565589)
Show SMILES Cc1nnc(SCc2ccc(cc2)C(=O)Nc2ccc(F)cc2)n1Cc1ccccc1
Show InChI InChI=1S/C24H21FN4OS/c1-17-27-28-24(29(17)15-18-5-3-2-4-6-18)31-16-19-7-9-20(10-8-19)23(30)26-22-13-11-21(25)12-14-22/h2-14H,15-16H2,1H3,(H,26,30)
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n/an/a 540n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529739
PNG
(CHEMBL4436259)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2cccnc2)n1Cc1ccccc1
Show InChI InChI=1S/C26H27N5OS/c1-19(2)15-24-29-30-26(31(24)17-20-7-4-3-5-8-20)33-18-21-10-12-22(13-11-21)25(32)28-23-9-6-14-27-16-23/h3-14,16,19H,15,17-18H2,1-2H3,(H,28,32)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50529739
PNG
(CHEMBL4436259)
Show SMILES CC(C)Cc1nnc(SCc2ccc(cc2)C(=O)Nc2cccnc2)n1Cc1ccccc1
Show InChI InChI=1S/C26H27N5OS/c1-19(2)15-24-29-30-26(31(24)17-20-7-4-3-5-8-20)33-18-21-10-12-22(13-11-21)25(32)28-23-9-6-14-27-16-23/h3-14,16,19H,15,17-18H2,1-2H3,(H,28,32)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM193124
PNG
(US9193736, 40)
Show SMILES OC(=O)c1ccc(cc1)-c1c(\C=C\c2ccc3ccccc3n2)nc2c(ccnn12)N1CCOCC1
Show InChI InChI=1S/C28H23N5O3/c34-28(35)21-7-5-20(6-8-21)26-24(12-11-22-10-9-19-3-1-2-4-23(19)30-22)31-27-25(13-14-29-33(26)27)32-15-17-36-18-16-32/h1-14H,15-18H2,(H,34,35)/b12-11+
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PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Janssen Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE


Bioorg Med Chem Lett 26: 4216-22 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.054
More data for this
Ligand-Target Pair