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PubMed code 21530250

Compile data set for download or QSAR
Found 73 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))
BDBM50344327
PNG
(2-benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]py...)
Show SMILES COc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(nn12)C(C)C
Show InChI InChI=1S/C22H22N4O2/c1-15(2)19-13-20-17(9-12-22(28-3)26(20)24-19)18-10-11-21(27)25(23-18)14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3
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n/an/a 55n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344329
PNG
(2-benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]py...)
Show SMILES COc1ccc(C2=NN(Cc3ccccc3)C(=O)CC2)c2cc(nn12)C(C)C
Show InChI InChI=1S/C22H24N4O2/c1-15(2)19-13-20-17(9-12-22(28-3)26(20)24-19)18-10-11-21(27)25(23-18)14-16-7-5-4-6-8-16/h4-9,12-13,15H,10-11,14H2,1-3H3
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n/an/a 120n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344325
PNG
(4-(6-chloropyridazin-3-yl)-2-isopropyl-7-methoxypy...)
Show SMILES COc1ccc(-c2ccc(Cl)nn2)c2cc(nn12)C(C)C
Show InChI InChI=1S/C15H15ClN4O/c1-9(2)12-8-13-10(11-5-6-14(16)18-17-11)4-7-15(21-3)20(13)19-12/h4-9H,1-3H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344321
PNG
(2-benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]py...)
Show SMILES COc1cccc2c(c(nn12)C(C)C)C1=NN(Cc2ccccc2)C(=O)CC1
Show InChI InChI=1S/C22H24N4O2/c1-15(2)22-21(18-10-7-11-20(28-3)26(18)24-22)17-12-13-19(27)25(23-17)14-16-8-5-4-6-9-16/h4-11,15H,12-14H2,1-3H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344314
PNG
(CHEMBL1779432 | rac-2-Benzyl-4a-methyl-4,4a,5,6-te...)
Show SMILES CC12CCc3nn4ccccc4c3C1=NN(Cc1ccccc1)C(=O)C2
Show InChI InChI=1S/C21H20N4O/c1-21-11-10-16-19(17-9-5-6-12-24(17)22-16)20(21)23-25(18(26)13-21)14-15-7-3-2-4-8-15/h2-9,12H,10-11,13-14H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344318
PNG
(CHEMBL1779436 | rac-9-Benzyl-1-isopropyl-6a,9,10b,...)
Show SMILES CC(C)c1nn2cccc3CC4CC(=O)N(Cc5ccccc5)N=C4c1c23
Show InChI InChI=1S/C22H22N4O/c1-14(2)20-19-21-17(11-16-9-6-10-25(23-20)22(16)19)12-18(27)26(24-21)13-15-7-4-3-5-8-15/h3-10,14,17H,11-13H2,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344326
PNG
(6-(2-isopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-y...)
Show SMILES COc1ccc(-c2ccc(=O)[nH]n2)c2cc(nn12)C(C)C
Show InChI InChI=1S/C15H16N4O2/c1-9(2)12-8-13-10(11-5-6-14(20)17-16-11)4-7-15(21-3)19(13)18-12/h4-9H,1-3H3,(H,17,20)
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n/an/a 2.58E+3n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344328
PNG
(6-(2-isopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-y...)
Show SMILES COc1ccc(C2=NNC(=O)CC2)c2cc(nn12)C(C)C
Show InChI InChI=1S/C15H18N4O2/c1-9(2)12-8-13-10(11-5-6-14(20)17-16-11)4-7-15(21-3)19(13)18-12/h4,7-9H,5-6H2,1-3H3,(H,17,20)
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n/an/a 2.61E+3n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344326
PNG
(6-(2-isopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-y...)
Show SMILES COc1ccc(-c2ccc(=O)[nH]n2)c2cc(nn12)C(C)C
Show InChI InChI=1S/C15H16N4O2/c1-9(2)12-8-13-10(11-5-6-14(20)17-16-11)4-7-15(21-3)19(13)18-12/h4-9H,1-3H3,(H,17,20)
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n/an/a 2.75E+3n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344315
PNG
(5,6-Dihydro-2H-1,2,7,7a-tetraaza-benzo[c]fluoren-3...)
Show SMILES O=c1cc2CCc3nn4ccccc4c3-c2n[nH]1
Show InChI InChI=1S/C13H10N4O/c18-11-7-8-4-5-9-12(13(8)15-14-11)10-3-1-2-6-17(10)16-9/h1-3,6-7H,4-5H2,(H,14,18)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344306
PNG
((R)-6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-5-m...)
Show SMILES CC(C)c1nn2ccccc2c1C1=NNC(=O)C[C@H]1C
Show InChI InChI=1S/C15H18N4O/c1-9(2)14-13(11-6-4-5-7-19(11)18-14)15-10(3)8-12(20)16-17-15/h4-7,9-10H,8H2,1-3H3,(H,16,20)/t10-/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50240404
PNG
((Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3...)
Show SMILES CC(C)C(=O)c1c(nn2ccccc12)C(C)C
Show InChI InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344327
PNG
(2-benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]py...)
Show SMILES COc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(nn12)C(C)C
Show InChI InChI=1S/C22H22N4O2/c1-15(2)19-13-20-17(9-12-22(28-3)26(20)24-19)18-10-11-21(27)25(23-18)14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344311
PNG
(CHEMBL1779429 | rac-4,4a,5,6-Tetrahydro-2H-1,2,7,7...)
Show SMILES O=C1CC2CCc3nn4ccccc4c3C2=NN1
Show InChI InChI=1S/C13H12N4O/c18-11-7-8-4-5-9-12(13(8)15-14-11)10-3-1-2-6-17(10)16-9/h1-3,6,8H,4-5,7H2,(H,14,18)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344314
PNG
(CHEMBL1779432 | rac-2-Benzyl-4a-methyl-4,4a,5,6-te...)
Show SMILES CC12CCc3nn4ccccc4c3C1=NN(Cc1ccccc1)C(=O)C2
Show InChI InChI=1S/C21H20N4O/c1-21-11-10-16-19(17-9-5-6-12-24(17)22-16)20(21)23-25(18(26)13-21)14-15-7-3-2-4-8-15/h2-9,12H,10-11,13-14H2,1H3
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n/an/a 8.90E+3n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344305
PNG
(CHEMBL1779335 | rac-6-(2-isopropylpyrazolo[1,5-a]p...)
Show SMILES CC(C)c1nn2ccccc2c1C1=NNC(=O)CC1C
Show InChI InChI=1S/C15H18N4O/c1-9(2)14-13(11-6-4-5-7-19(11)18-14)15-10(3)8-12(20)16-17-15/h4-7,9-10H,8H2,1-3H3,(H,16,20)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344312
PNG
(CHEMBL1779430 | rac-2-Benzyl-4,4a,5,6-tetrahydro-2...)
Show SMILES O=C1CC2CCc3nn4ccccc4c3C2=NN1Cc1ccccc1
Show InChI InChI=1S/C20H18N4O/c25-18-12-15-9-10-16-19(17-8-4-5-11-23(17)21-16)20(15)22-24(18)13-14-6-2-1-3-7-14/h1-8,11,15H,9-10,12-13H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344306
PNG
((R)-6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-5-m...)
Show SMILES CC(C)c1nn2ccccc2c1C1=NNC(=O)C[C@H]1C
Show InChI InChI=1S/C15H18N4O/c1-9(2)14-13(11-6-4-5-7-19(11)18-14)15-10(3)8-12(20)16-17-15/h4-7,9-10H,8H2,1-3H3,(H,16,20)/t10-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344313
PNG
(CHEMBL1779431 | rac-4a-Methyl-4,4a,5,6-tetrahydro-...)
Show SMILES CC12CCc3nn4ccccc4c3C1=NNC(=O)C2
Show InChI InChI=1S/C14H14N4O/c1-14-6-5-9-12(13(14)16-15-11(19)8-14)10-4-2-3-7-18(10)17-9/h2-4,7H,5-6,8H2,1H3,(H,15,19)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344307
PNG
((S)-6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-5-m...)
Show SMILES CC(C)c1nn2ccccc2c1C1=NNC(=O)C[C@@H]1C
Show InChI InChI=1S/C15H18N4O/c1-9(2)14-13(11-6-4-5-7-19(11)18-14)15-10(3)8-12(20)16-17-15/h4-7,9-10H,8H2,1-3H3,(H,16,20)/t10-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344316
PNG
(2-Benzyl-5,6-dihydro-2H-1,2,7,7a-tetraaza-benzo[c]...)
Show SMILES O=c1cc2CCc3nn4ccccc4c3-c2nn1Cc1ccccc1
Show InChI InChI=1S/C20H16N4O/c25-18-12-15-9-10-16-19(17-8-4-5-11-23(17)21-16)20(15)22-24(18)13-14-6-2-1-3-7-14/h1-8,11-12H,9-10,13H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344319
PNG
(2-benzyl-6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl...)
Show SMILES CC(C)c1nn2ccccc2c1C1=NN(Cc2ccccc2)C(=O)CC1
Show InChI InChI=1S/C21H22N4O/c1-15(2)21-20(18-10-6-7-13-24(18)23-21)17-11-12-19(26)25(22-17)14-16-8-4-3-5-9-16/h3-10,13,15H,11-12,14H2,1-2H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344320
PNG
(6-(2-isopropyl-7-methoxypyrazolo[1,5-a]pyridin-3-y...)
Show SMILES COc1cccc2c(c(nn12)C(C)C)C1=NNC(=O)CC1
Show InChI InChI=1S/C15H18N4O2/c1-9(2)15-14(10-7-8-12(20)17-16-10)11-5-4-6-13(21-3)19(11)18-15/h4-6,9H,7-8H2,1-3H3,(H,17,20)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344306
PNG
((R)-6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-5-m...)
Show SMILES CC(C)c1nn2ccccc2c1C1=NNC(=O)C[C@H]1C
Show InChI InChI=1S/C15H18N4O/c1-9(2)14-13(11-6-4-5-7-19(11)18-14)15-10(3)8-12(20)16-17-15/h4-7,9-10H,8H2,1-3H3,(H,16,20)/t10-/m1/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344312
PNG
(CHEMBL1779430 | rac-2-Benzyl-4,4a,5,6-tetrahydro-2...)
Show SMILES O=C1CC2CCc3nn4ccccc4c3C2=NN1Cc1ccccc1
Show InChI InChI=1S/C20H18N4O/c25-18-12-15-9-10-16-19(17-8-4-5-11-23(17)21-16)20(15)22-24(18)13-14-6-2-1-3-7-14/h1-8,11,15H,9-10,12-13H2
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n/an/a 2.60E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344329
PNG
(2-benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]py...)
Show SMILES COc1ccc(C2=NN(Cc3ccccc3)C(=O)CC2)c2cc(nn12)C(C)C
Show InChI InChI=1S/C22H24N4O2/c1-15(2)19-13-20-17(9-12-22(28-3)26(20)24-19)18-10-11-21(27)25(23-18)14-16-7-5-4-6-8-16/h4-9,12-13,15H,10-11,14H2,1-3H3
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n/an/a 2.89E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344322
PNG
(3-(6-chloropyridazin-3-yl)-2-isopropylpyrazolo[1,5...)
Show SMILES CC(C)c1nn2ccccc2c1-c1ccc(Cl)nn1
Show InChI InChI=1S/C14H13ClN4/c1-9(2)14-13(10-6-7-12(15)17-16-10)11-5-3-4-8-19(11)18-14/h3-9H,1-2H3
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n/an/a 2.90E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344313
PNG
(CHEMBL1779431 | rac-4a-Methyl-4,4a,5,6-tetrahydro-...)
Show SMILES CC12CCc3nn4ccccc4c3C1=NNC(=O)C2
Show InChI InChI=1S/C14H14N4O/c1-14-6-5-9-12(13(14)16-15-11(19)8-14)10-4-2-3-7-18(10)17-9/h2-4,7H,5-6,8H2,1H3,(H,15,19)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344329
PNG
(2-benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]py...)
Show SMILES COc1ccc(C2=NN(Cc3ccccc3)C(=O)CC2)c2cc(nn12)C(C)C
Show InChI InChI=1S/C22H24N4O2/c1-15(2)19-13-20-17(9-12-22(28-3)26(20)24-19)18-10-11-21(27)25(23-18)14-16-7-5-4-6-8-16/h4-9,12-13,15H,10-11,14H2,1-3H3
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n/an/a 3.35E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344317
PNG
(CHEMBL1779435 | rac-1-Isopropyl-6a,9-dihydro-6H,7H...)
Show SMILES CC(C)c1nn2cccc3CC4CC(=O)NN=C4c1c23
Show InChI InChI=1S/C15H16N4O/c1-8(2)13-12-14-10(7-11(20)16-17-14)6-9-4-3-5-19(18-13)15(9)12/h3-5,8,10H,6-7H2,1-2H3,(H,16,20)
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n/an/a 3.90E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344328
PNG
(6-(2-isopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-y...)
Show SMILES COc1ccc(C2=NNC(=O)CC2)c2cc(nn12)C(C)C
Show InChI InChI=1S/C15H18N4O2/c1-9(2)12-8-13-10(11-5-6-14(20)17-16-11)4-7-15(21-3)19(13)18-12/h4,7-9H,5-6H2,1-3H3,(H,17,20)
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n/an/a 3.96E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344308
PNG
(6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dih...)
Show SMILES CC(C)c1nn2ccccc2c1C1=NNC(=O)CC1
Show InChI InChI=1S/C14H16N4O/c1-9(2)14-13(10-6-7-12(19)16-15-10)11-5-3-4-8-18(11)17-14/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344327
PNG
(2-benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]py...)
Show SMILES COc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(nn12)C(C)C
Show InChI InChI=1S/C22H22N4O2/c1-15(2)19-13-20-17(9-12-22(28-3)26(20)24-19)18-10-11-21(27)25(23-18)14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3
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n/an/a 4.15E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344305
PNG
(CHEMBL1779335 | rac-6-(2-isopropylpyrazolo[1,5-a]p...)
Show SMILES CC(C)c1nn2ccccc2c1C1=NNC(=O)CC1C
Show InChI InChI=1S/C15H18N4O/c1-9(2)14-13(11-6-4-5-7-19(11)18-14)15-10(3)8-12(20)16-17-15/h4-7,9-10H,8H2,1-3H3,(H,16,20)
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n/an/a 4.40E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344322
PNG
(3-(6-chloropyridazin-3-yl)-2-isopropylpyrazolo[1,5...)
Show SMILES CC(C)c1nn2ccccc2c1-c1ccc(Cl)nn1
Show InChI InChI=1S/C14H13ClN4/c1-9(2)14-13(10-6-7-12(15)17-16-10)11-5-3-4-8-19(11)18-14/h3-9H,1-2H3
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n/an/a 6.50E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344316
PNG
(2-Benzyl-5,6-dihydro-2H-1,2,7,7a-tetraaza-benzo[c]...)
Show SMILES O=c1cc2CCc3nn4ccccc4c3-c2nn1Cc1ccccc1
Show InChI InChI=1S/C20H16N4O/c25-18-12-15-9-10-16-19(17-8-4-5-11-23(17)21-16)20(15)22-24(18)13-14-6-2-1-3-7-14/h1-8,11-12H,9-10,13H2
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n/an/a 6.90E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344309
PNG
(6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)pyridazi...)
Show SMILES CC(C)c1nn2ccccc2c1-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C14H14N4O/c1-9(2)14-13(10-6-7-12(19)16-15-10)11-5-3-4-8-18(11)17-14/h3-9H,1-2H3,(H,16,19)
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n/an/a 7.20E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344315
PNG
(5,6-Dihydro-2H-1,2,7,7a-tetraaza-benzo[c]fluoren-3...)
Show SMILES O=c1cc2CCc3nn4ccccc4c3-c2n[nH]1
Show InChI InChI=1S/C13H10N4O/c18-11-7-8-4-5-9-12(13(8)15-14-11)10-3-1-2-6-17(10)16-9/h1-3,6-7H,4-5H2,(H,14,18)
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n/an/a 7.30E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344308
PNG
(6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dih...)
Show SMILES CC(C)c1nn2ccccc2c1C1=NNC(=O)CC1
Show InChI InChI=1S/C14H16N4O/c1-9(2)14-13(10-6-7-12(19)16-15-10)11-5-3-4-8-18(11)17-14/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)
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n/an/a 7.80E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344309
PNG
(6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)pyridazi...)
Show SMILES CC(C)c1nn2ccccc2c1-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C14H14N4O/c1-9(2)14-13(10-6-7-12(19)16-15-10)11-5-3-4-8-18(11)17-14/h3-9H,1-2H3,(H,16,19)
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n/an/a 7.90E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344305
PNG
(CHEMBL1779335 | rac-6-(2-isopropylpyrazolo[1,5-a]p...)
Show SMILES CC(C)c1nn2ccccc2c1C1=NNC(=O)CC1C
Show InChI InChI=1S/C15H18N4O/c1-9(2)14-13(11-6-4-5-7-19(11)18-14)15-10(3)8-12(20)16-17-15/h4-7,9-10H,8H2,1-3H3,(H,16,20)
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n/an/a 8.90E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344326
PNG
(6-(2-isopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-y...)
Show SMILES COc1ccc(-c2ccc(=O)[nH]n2)c2cc(nn12)C(C)C
Show InChI InChI=1S/C15H16N4O2/c1-9(2)12-8-13-10(11-5-6-14(20)17-16-11)4-7-15(21-3)19(13)18-12/h4-9H,1-3H3,(H,17,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50240404
PNG
((Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3...)
Show SMILES CC(C)C(=O)c1c(nn2ccccc12)C(C)C
Show InChI InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
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n/an/a 1.03E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344308
PNG
(6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dih...)
Show SMILES CC(C)c1nn2ccccc2c1C1=NNC(=O)CC1
Show InChI InChI=1S/C14H16N4O/c1-9(2)14-13(10-6-7-12(19)16-15-10)11-5-3-4-8-18(11)17-14/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)
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n/an/a 1.10E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344309
PNG
(6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)pyridazi...)
Show SMILES CC(C)c1nn2ccccc2c1-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C14H14N4O/c1-9(2)14-13(10-6-7-12(19)16-15-10)11-5-3-4-8-18(11)17-14/h3-9H,1-2H3,(H,16,19)
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n/an/a 1.14E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344324
PNG
(2-isopropyl-3-(6-methoxypyridazin-3-yl)pyrazolo[1,...)
Show SMILES COc1ccc(nn1)-c1c(nn2ccccc12)C(C)C
Show InChI InChI=1S/C15H16N4O/c1-10(2)15-14(11-7-8-13(20-3)17-16-11)12-6-4-5-9-19(12)18-15/h4-10H,1-3H3
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n/an/a 1.15E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344311
PNG
(CHEMBL1779429 | rac-4,4a,5,6-Tetrahydro-2H-1,2,7,7...)
Show SMILES O=C1CC2CCc3nn4ccccc4c3C2=NN1
Show InChI InChI=1S/C13H12N4O/c18-11-7-8-4-5-9-12(13(8)15-14-11)10-3-1-2-6-17(10)16-9/h1-3,6,8H,4-5,7H2,(H,14,18)
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n/an/a 1.45E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344315
PNG
(5,6-Dihydro-2H-1,2,7,7a-tetraaza-benzo[c]fluoren-3...)
Show SMILES O=c1cc2CCc3nn4ccccc4c3-c2n[nH]1
Show InChI InChI=1S/C13H10N4O/c18-11-7-8-4-5-9-12(13(8)15-14-11)10-3-1-2-6-17(10)16-9/h1-3,6-7H,4-5H2,(H,14,18)
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n/an/a 1.56E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344311
PNG
(CHEMBL1779429 | rac-4,4a,5,6-Tetrahydro-2H-1,2,7,7...)
Show SMILES O=C1CC2CCc3nn4ccccc4c3C2=NN1
Show InChI InChI=1S/C13H12N4O/c18-11-7-8-4-5-9-12(13(8)15-14-11)10-3-1-2-6-17(10)16-9/h1-3,6,8H,4-5,7H2,(H,14,18)
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n/an/a 2.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344317
PNG
(CHEMBL1779435 | rac-1-Isopropyl-6a,9-dihydro-6H,7H...)
Show SMILES CC(C)c1nn2cccc3CC4CC(=O)NN=C4c1c23
Show InChI InChI=1S/C15H16N4O/c1-8(2)13-12-14-10(7-11(20)16-17-14)6-9-4-3-5-19(18-13)15(9)12/h3-5,8,10H,6-7H2,1-2H3,(H,16,20)
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n/an/a 2.10E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344320
PNG
(6-(2-isopropyl-7-methoxypyrazolo[1,5-a]pyridin-3-y...)
Show SMILES COc1cccc2c(c(nn12)C(C)C)C1=NNC(=O)CC1
Show InChI InChI=1S/C15H18N4O2/c1-9(2)15-14(10-7-8-12(20)17-16-10)11-5-4-6-13(21-3)19(11)18-15/h4-6,9H,7-8H2,1-3H3,(H,17,20)
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n/an/a 2.25E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344320
PNG
(6-(2-isopropyl-7-methoxypyrazolo[1,5-a]pyridin-3-y...)
Show SMILES COc1cccc2c(c(nn12)C(C)C)C1=NNC(=O)CC1
Show InChI InChI=1S/C15H18N4O2/c1-9(2)15-14(10-7-8-12(20)17-16-10)11-5-4-6-13(21-3)19(11)18-15/h4-6,9H,7-8H2,1-3H3,(H,17,20)
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n/an/a 2.60E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50240404
PNG
((Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3...)
Show SMILES CC(C)C(=O)c1c(nn2ccccc12)C(C)C
Show InChI InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
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n/an/a 2.99E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344317
PNG
(CHEMBL1779435 | rac-1-Isopropyl-6a,9-dihydro-6H,7H...)
Show SMILES CC(C)c1nn2cccc3CC4CC(=O)NN=C4c1c23
Show InChI InChI=1S/C15H16N4O/c1-8(2)13-12-14-10(7-11(20)16-17-14)6-9-4-3-5-19(18-13)15(9)12/h3-5,8,10H,6-7H2,1-2H3,(H,16,20)
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n/an/a 3.50E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344323
PNG
(3-(6-chloro-4-methylpyridazin-3-yl)-2-isopropylpyr...)
Show SMILES CC(C)c1nn2ccccc2c1-c1nnc(Cl)cc1C
Show InChI InChI=1S/C15H15ClN4/c1-9(2)14-13(11-6-4-5-7-20(11)19-14)15-10(3)8-12(16)17-18-15/h4-9H,1-3H3
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344323
PNG
(3-(6-chloro-4-methylpyridazin-3-yl)-2-isopropylpyr...)
Show SMILES CC(C)c1nn2ccccc2c1-c1nnc(Cl)cc1C
Show InChI InChI=1S/C15H15ClN4/c1-9(2)14-13(11-6-4-5-7-20(11)19-14)15-10(3)8-12(16)17-18-15/h4-9H,1-3H3
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344307
PNG
((S)-6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-5-m...)
Show SMILES CC(C)c1nn2ccccc2c1C1=NNC(=O)C[C@@H]1C
Show InChI InChI=1S/C15H18N4O/c1-9(2)14-13(11-6-4-5-7-19(11)18-14)15-10(3)8-12(20)16-17-15/h4-7,9-10H,8H2,1-3H3,(H,16,20)/t10-/m0/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344310
PNG
(6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-5-methy...)
Show SMILES CC(C)c1nn2ccccc2c1-c1n[nH]c(=O)cc1C
Show InChI InChI=1S/C15H16N4O/c1-9(2)14-13(11-6-4-5-7-19(11)18-14)15-10(3)8-12(20)16-17-15/h4-9H,1-3H3,(H,16,20)
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344318
PNG
(CHEMBL1779436 | rac-9-Benzyl-1-isopropyl-6a,9,10b,...)
Show SMILES CC(C)c1nn2cccc3CC4CC(=O)N(Cc5ccccc5)N=C4c1c23
Show InChI InChI=1S/C22H22N4O/c1-14(2)20-19-21-17(11-16-9-6-10-25(23-20)22(16)19)12-18(27)26(24-21)13-15-7-4-3-5-8-15/h3-10,14,17H,11-13H2,1-2H3
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344321
PNG
(2-benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]py...)
Show SMILES COc1cccc2c(c(nn12)C(C)C)C1=NN(Cc2ccccc2)C(=O)CC1
Show InChI InChI=1S/C22H24N4O2/c1-15(2)22-21(18-10-7-11-20(28-3)26(18)24-22)17-12-13-19(27)25(23-17)14-16-8-5-4-6-9-16/h4-11,15H,12-14H2,1-3H3
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344319
PNG
(2-benzyl-6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl...)
Show SMILES CC(C)c1nn2ccccc2c1C1=NN(Cc2ccccc2)C(=O)CC1
Show InChI InChI=1S/C21H22N4O/c1-15(2)21-20(18-10-6-7-13-24(18)23-21)17-11-12-19(26)25(22-17)14-16-8-4-3-5-9-16/h3-10,13,15H,11-12,14H2,1-2H3
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344324
PNG
(2-isopropyl-3-(6-methoxypyridazin-3-yl)pyrazolo[1,...)
Show SMILES COc1ccc(nn1)-c1c(nn2ccccc12)C(C)C
Show InChI InChI=1S/C15H16N4O/c1-10(2)15-14(11-7-8-13(20-3)17-16-11)12-6-4-5-9-19(12)18-15/h4-10H,1-3H3
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344322
PNG
(3-(6-chloropyridazin-3-yl)-2-isopropylpyrazolo[1,5...)
Show SMILES CC(C)c1nn2ccccc2c1-c1ccc(Cl)nn1
Show InChI InChI=1S/C14H13ClN4/c1-9(2)14-13(10-6-7-12(15)17-16-10)11-5-3-4-8-19(11)18-14/h3-9H,1-2H3
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344313
PNG
(CHEMBL1779431 | rac-4a-Methyl-4,4a,5,6-tetrahydro-...)
Show SMILES CC12CCc3nn4ccccc4c3C1=NNC(=O)C2
Show InChI InChI=1S/C14H14N4O/c1-14-6-5-9-12(13(14)16-15-11(19)8-14)10-4-2-3-7-18(10)17-9/h2-4,7H,5-6,8H2,1H3,(H,15,19)
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344310
PNG
(6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-5-methy...)
Show SMILES CC(C)c1nn2ccccc2c1-c1n[nH]c(=O)cc1C
Show InChI InChI=1S/C15H16N4O/c1-9(2)14-13(11-6-4-5-7-19(11)18-14)15-10(3)8-12(20)16-17-15/h4-9H,1-3H3,(H,16,20)
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344321
PNG
(2-benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]py...)
Show SMILES COc1cccc2c(c(nn12)C(C)C)C1=NN(Cc2ccccc2)C(=O)CC1
Show InChI InChI=1S/C22H24N4O2/c1-15(2)22-21(18-10-7-11-20(28-3)26(18)24-22)17-12-13-19(27)25(23-17)14-16-8-5-4-6-9-16/h4-11,15H,12-14H2,1-3H3
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344316
PNG
(2-Benzyl-5,6-dihydro-2H-1,2,7,7a-tetraaza-benzo[c]...)
Show SMILES O=c1cc2CCc3nn4ccccc4c3-c2nn1Cc1ccccc1
Show InChI InChI=1S/C20H16N4O/c25-18-12-15-9-10-16-19(17-8-4-5-11-23(17)21-16)20(15)22-24(18)13-14-6-2-1-3-7-14/h1-8,11-12H,9-10,13H2
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344307
PNG
((S)-6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-5-m...)
Show SMILES CC(C)c1nn2ccccc2c1C1=NNC(=O)C[C@@H]1C
Show InChI InChI=1S/C15H18N4O/c1-9(2)14-13(11-6-4-5-7-19(11)18-14)15-10(3)8-12(20)16-17-15/h4-7,9-10H,8H2,1-3H3,(H,16,20)/t10-/m0/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344312
PNG
(CHEMBL1779430 | rac-2-Benzyl-4,4a,5,6-tetrahydro-2...)
Show SMILES O=C1CC2CCc3nn4ccccc4c3C2=NN1Cc1ccccc1
Show InChI InChI=1S/C20H18N4O/c25-18-12-15-9-10-16-19(17-8-4-5-11-23(17)21-16)20(15)22-24(18)13-14-6-2-1-3-7-14/h1-8,11,15H,9-10,12-13H2
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344314
PNG
(CHEMBL1779432 | rac-2-Benzyl-4a-methyl-4,4a,5,6-te...)
Show SMILES CC12CCc3nn4ccccc4c3C1=NN(Cc1ccccc1)C(=O)C2
Show InChI InChI=1S/C21H20N4O/c1-21-11-10-16-19(17-9-5-6-12-24(17)22-16)20(21)23-25(18(26)13-21)14-15-7-3-2-4-8-15/h2-9,12H,10-11,13-14H2,1H3
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50344310
PNG
(6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-5-methy...)
Show SMILES CC(C)c1nn2ccccc2c1-c1n[nH]c(=O)cc1C
Show InChI InChI=1S/C15H16N4O/c1-9(2)14-13(11-6-4-5-7-19(11)18-14)15-10(3)8-12(20)16-17-15/h4-9H,1-3H3,(H,16,20)
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50344324
PNG
(2-isopropyl-3-(6-methoxypyridazin-3-yl)pyrazolo[1,...)
Show SMILES COc1ccc(nn1)-c1c(nn2ccccc12)C(C)C
Show InChI InChI=1S/C15H16N4O/c1-10(2)15-14(11-7-8-13(20-3)17-16-11)12-6-4-5-9-19(12)18-15/h4-10H,1-3H3
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50344323
PNG
(3-(6-chloro-4-methylpyridazin-3-yl)-2-isopropylpyr...)
Show SMILES CC(C)c1nn2ccccc2c1-c1nnc(Cl)cc1C
Show InChI InChI=1S/C15H15ClN4/c1-9(2)14-13(11-6-4-5-7-20(11)19-14)15-10(3)8-12(16)17-18-15/h4-9H,1-3H3
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n/an/a>4.00E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%