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PubMed code 22336247

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50363909
PNG
(CHEMBL1946933)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)c2sc(nc12)C(F)(F)F
Show InChI InChI=1S/C14H12F3N3O2S/c1-6-5-9(21)19-20-10(6)7-3-4-8(22-2)11-12(7)23-13(18-11)14(15,16)17/h3-4,6H,5H2,1-2H3,(H,19,21)
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n/an/a 21n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50363909
PNG
(CHEMBL1946933)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)c2sc(nc12)C(F)(F)F
Show InChI InChI=1S/C14H12F3N3O2S/c1-6-5-9(21)19-20-10(6)7-3-4-8(22-2)11-12(7)23-13(18-11)14(15,16)17/h3-4,6H,5H2,1-2H3,(H,19,21)
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n/an/a 150n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50363906
PNG
(CHEMBL1946747)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)n2cc(nc12)C(F)(F)F
Show InChI InChI=1S/C14H13F3N4O2/c1-7-5-11(22)19-20-12(7)8-3-4-9(23-2)13-18-10(6-21(8)13)14(15,16)17/h3-4,6-7H,5H2,1-2H3,(H,19,22)
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n/an/a 260n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50363910
PNG
(CHEMBL1946934)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)c2cc(sc12)C(F)(F)F
Show InChI InChI=1S/C15H13F3N2O2S/c1-7-5-12(21)19-20-13(7)8-3-4-10(22-2)14-9(8)6-11(23-14)15(16,17)18/h3-4,6-7H,5H2,1-2H3,(H,19,21)
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n/an/a 280n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50363912
PNG
(CHEMBL1946936)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)c2[nH]c(nc12)C(F)(F)F
Show InChI InChI=1S/C14H13F3N4O2/c1-6-5-9(22)20-21-10(6)7-3-4-8(23-2)12-11(7)18-13(19-12)14(15,16)17/h3-4,6H,5H2,1-2H3,(H,18,19)(H,20,22)
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n/an/a 300n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50363911
PNG
(CHEMBL1946935)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O2/c1-8-7-13(23)21-22-14(8)9-3-5-11(24-2)15-10(9)4-6-12(20-15)16(17,18)19/h3-6,8H,7H2,1-2H3,(H,21,23)
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n/an/a 350n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50363913
PNG
(CHEMBL1946937)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)c2cc(oc12)C(F)(F)F
Show InChI InChI=1S/C15H13F3N2O3/c1-7-5-12(21)19-20-13(7)8-3-4-10(22-2)14-9(8)6-11(23-14)15(16,17)18/h3-4,6-7H,5H2,1-2H3,(H,19,21)
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n/an/a 380n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50363905
PNG
(CHEMBL1946746)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)c2nc(nn12)C(F)(F)F
Show InChI InChI=1S/C13H12F3N5O2/c1-6-5-8(22)18-19-10(6)7-3-4-9(23-2)21-11(7)17-12(20-21)13(14,15)16/h3-4,6H,5H2,1-2H3,(H,18,22)
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n/an/a 430n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50363911
PNG
(CHEMBL1946935)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O2/c1-8-7-13(23)21-22-14(8)9-3-5-11(24-2)15-10(9)4-6-12(20-15)16(17,18)19/h3-6,8H,7H2,1-2H3,(H,21,23)
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n/an/a 970n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50363907
PNG
(CHEMBL1946748)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)c2oc(nc12)C(F)(F)F
Show InChI InChI=1S/C14H12F3N3O3/c1-6-5-9(21)19-20-10(6)7-3-4-8(22-2)11-12(7)23-13(18-11)14(15,16)17/h3-4,6H,5H2,1-2H3,(H,19,21)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50363906
PNG
(CHEMBL1946747)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)n2cc(nc12)C(F)(F)F
Show InChI InChI=1S/C14H13F3N4O2/c1-7-5-11(22)19-20-12(7)8-3-4-9(23-2)13-18-10(6-21(8)13)14(15,16)17/h3-4,6-7H,5H2,1-2H3,(H,19,22)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50363908
PNG
(CHEMBL1946932)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)c2nc(oc12)C(F)(F)F
Show InChI InChI=1S/C14H12F3N3O3/c1-6-5-9(21)19-20-10(6)7-3-4-8(22-2)12-11(7)18-13(23-12)14(15,16)17/h3-4,6H,5H2,1-2H3,(H,19,21)
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n/an/a 1.52E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50363910
PNG
(CHEMBL1946934)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)c2cc(sc12)C(F)(F)F
Show InChI InChI=1S/C15H13F3N2O2S/c1-7-5-12(21)19-20-13(7)8-3-4-10(22-2)14-9(8)6-11(23-14)15(16,17)18/h3-4,6-7H,5H2,1-2H3,(H,19,21)
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n/an/a 2.85E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50363914
PNG
(CHEMBL1946938)
Show SMILES CCc1cc2c(ccc(OC)n2c1)C1=NNC(=O)CC1C
Show InChI InChI=1S/C16H19N3O2/c1-4-11-8-13-12(5-6-15(21-3)19(13)9-11)16-10(2)7-14(20)17-18-16/h5-6,8-10H,4,7H2,1-3H3,(H,17,20)
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n/an/a 3.49E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50363907
PNG
(CHEMBL1946748)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)c2oc(nc12)C(F)(F)F
Show InChI InChI=1S/C14H12F3N3O3/c1-6-5-9(21)19-20-10(6)7-3-4-8(22-2)11-12(7)23-13(18-11)14(15,16)17/h3-4,6H,5H2,1-2H3,(H,19,21)
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n/an/a 5.74E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50363908
PNG
(CHEMBL1946932)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)c2nc(oc12)C(F)(F)F
Show InChI InChI=1S/C14H12F3N3O3/c1-6-5-9(21)19-20-10(6)7-3-4-8(22-2)12-11(7)18-13(23-12)14(15,16)17/h3-4,6H,5H2,1-2H3,(H,19,21)
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n/an/a 6.43E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50363905
PNG
(CHEMBL1946746)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)c2nc(nn12)C(F)(F)F
Show InChI InChI=1S/C13H12F3N5O2/c1-6-5-8(22)18-19-10(6)7-3-4-9(23-2)21-11(7)17-12(20-21)13(14,15)16/h3-4,6H,5H2,1-2H3,(H,18,22)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50363913
PNG
(CHEMBL1946937)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)c2cc(oc12)C(F)(F)F
Show InChI InChI=1S/C15H13F3N2O3/c1-7-5-12(21)19-20-13(7)8-3-4-10(22-2)14-9(8)6-11(23-14)15(16,17)18/h3-4,6-7H,5H2,1-2H3,(H,19,21)
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n/an/a 1.98E+4n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50363914
PNG
(CHEMBL1946938)
Show SMILES CCc1cc2c(ccc(OC)n2c1)C1=NNC(=O)CC1C
Show InChI InChI=1S/C16H19N3O2/c1-4-11-8-13-12(5-6-15(21-3)19(13)9-11)16-10(2)7-14(20)17-18-16/h5-6,8-10H,4,7H2,1-3H3,(H,17,20)
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n/an/a 2.07E+4n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50363912
PNG
(CHEMBL1946936)
Show SMILES COc1ccc(C2=NNC(=O)CC2C)c2[nH]c(nc12)C(F)(F)F
Show InChI InChI=1S/C14H13F3N4O2/c1-6-5-9(22)20-21-10(6)7-3-4-8(23-2)12-11(7)18-13(19-12)14(15,16)17/h3-4,6H,5H2,1-2H3,(H,18,19)(H,20,22)
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n/an/a 2.22E+4n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%