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USPatent US10323042

Compile Data Set for Download or QSAR

Found 246 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
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399979
PNG
(US10323042, Example 58)
Show SMILES Fc1cc(-c2c3OCC(F)(F)Cn3nc2C(=O)NC2CC2)c(F)cc1Cl |(3.46,2.47,;1.97,2.07,;1.57,.59,;.09,.19,;-.31,-1.3,;-1.78,-1.78,;-3.11,-1.01,;-4.44,-1.78,;-4.44,-3.32,;-5.78,-4.09,;-4.44,-4.86,;-3.11,-4.09,;-1.78,-3.32,;-.31,-3.79,;.59,-2.55,;2.13,-2.55,;2.9,-1.21,;2.9,-3.88,;4.44,-3.88,;5.78,-4.65,;5.78,-3.11,;-1,1.28,;-2.49,.88,;-.6,2.76,;.88,3.16,;1.28,4.65,)|
Show InChI InChI=1S/C16H12ClF4N3O2/c17-9-4-10(18)8(3-11(9)19)12-13(14(25)22-7-1-2-7)23-24-5-16(20,21)6-26-15(12)24/h3-4,7H,1-2,5-6H2,(H,22,25)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399978
PNG
(US10323042, Example 57 | US10738063, Example 57)
Show SMILES Cc1cc(Cl)c(F)cc1-c1c(nn2C[C@H](F)COc12)C(=O)NC1CC1 |r,wD:14.15,(-2.49,.88,;-1,1.28,;-.6,2.76,;.88,3.16,;1.28,4.65,;1.97,2.07,;3.46,2.47,;1.57,.59,;.09,.19,;-.31,-1.3,;.59,-2.55,;-.31,-3.79,;-1.78,-3.32,;-3.11,-4.09,;-4.44,-3.32,;-5.78,-4.09,;-4.44,-1.78,;-3.11,-1.01,;-1.78,-1.78,;2.13,-2.55,;2.9,-1.21,;2.9,-3.88,;4.44,-3.88,;5.78,-4.65,;5.78,-3.11,)|
Show InChI InChI=1S/C17H16ClF2N3O2/c1-8-4-12(18)13(20)5-11(8)14-15(16(24)21-10-2-3-10)22-23-6-9(19)7-25-17(14)23/h4-5,9-10H,2-3,6-7H2,1H3,(H,21,24)/t9-/m0/s1
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399927
PNG
((6S)-3-(4-Chloro-2,5-difluorophenyl)-N-cyclopropyl...)
Show SMILES F[C@@H]1COc2c(c(nn2C1)C(=O)NC1CC1)-c1cc(F)c(Cl)cc1F |r,wD:1.0,(-5.04,-16.18,;-3.71,-15.41,;-3.71,-13.87,;-2.37,-13.1,;-1.04,-13.87,;.42,-13.4,;1.33,-14.64,;.42,-15.89,;-1.04,-15.41,;-2.37,-16.18,;2.87,-14.64,;3.64,-13.31,;3.64,-15.97,;5.18,-15.97,;6.51,-16.74,;6.51,-15.2,;.82,-11.91,;2.31,-11.51,;2.71,-10.02,;4.2,-9.62,;1.62,-8.93,;2.02,-7.44,;.13,-9.33,;-.27,-10.82,;-1.75,-11.22,)|
Show InChI InChI=1S/C16H13ClF3N3O2/c17-10-4-11(19)9(3-12(10)20)13-14(15(24)21-8-1-2-8)22-23-5-7(18)6-25-16(13)23/h3-4,7-8H,1-2,5-6H2,(H,21,24)/t7-/m0/s1
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399928
PNG
(3-(4-Chloro-2-methylphenyl)-N-cyclopropyl-6,6-difl...)
Show SMILES Cc1cc(Cl)ccc1-c1c2OCC(F)(F)Cn2nc1C(=O)NC1CC1 |(1.97,-5.49,;3.45,-5.09,;3.85,-3.6,;5.34,-3.21,;5.74,-1.72,;6.43,-4.29,;6.03,-5.78,;4.54,-6.18,;4.14,-7.67,;2.68,-8.14,;1.35,-7.37,;.01,-8.14,;.01,-9.68,;-.76,-11.02,;-1.53,-9.68,;1.35,-10.45,;2.68,-9.68,;4.14,-10.16,;5.05,-8.91,;6.59,-8.91,;7.36,-7.58,;7.36,-10.25,;8.9,-10.25,;10.23,-11.02,;10.23,-9.48,)|
Show InChI InChI=1S/C17H16ClF2N3O2/c1-9-6-10(18)2-5-12(9)13-14(15(24)21-11-3-4-11)22-23-7-17(19,20)8-25-16(13)23/h2,5-6,11H,3-4,7-8H2,1H3,(H,21,24)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399973
PNG
(US10323042, Example 53A | US10323042, Example 53B ...)
Show SMILES Cc1cc(C#N)c(F)cc1-c1c(nn2C[C@H](F)COc12)C(=O)NC1CC1 |r,wD:15.16,(-2.49,.13,;-1,.53,;-.6,2.02,;.9,2.47,;1.3,3.96,;1.7,5.45,;1.97,1.33,;3.46,1.73,;1.57,-.16,;.09,-.56,;-.31,-2.04,;.59,-3.29,;-.31,-4.54,;-1.78,-4.06,;-3.11,-4.83,;-4.44,-4.06,;-5.78,-4.83,;-4.44,-2.52,;-3.11,-1.75,;-1.78,-2.52,;2.13,-3.29,;2.9,-1.96,;2.9,-4.62,;4.44,-4.62,;5.78,-5.39,;5.78,-3.85,)|
Show InChI InChI=1S/C18H16F2N4O2/c1-9-4-10(6-21)14(20)5-13(9)15-16(17(25)22-12-2-3-12)23-24-7-11(19)8-26-18(15)24/h4-5,11-12H,2-3,7-8H2,1H3,(H,22,25)/t11-/m0/s1
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM399978
PNG
(US10323042, Example 57 | US10738063, Example 57)
Show SMILES Cc1cc(Cl)c(F)cc1-c1c(nn2C[C@H](F)COc12)C(=O)NC1CC1 |r,wD:14.15,(-2.49,.88,;-1,1.28,;-.6,2.76,;.88,3.16,;1.28,4.65,;1.97,2.07,;3.46,2.47,;1.57,.59,;.09,.19,;-.31,-1.3,;.59,-2.55,;-.31,-3.79,;-1.78,-3.32,;-3.11,-4.09,;-4.44,-3.32,;-5.78,-4.09,;-4.44,-1.78,;-3.11,-1.01,;-1.78,-1.78,;2.13,-2.55,;2.9,-1.21,;2.9,-3.88,;4.44,-3.88,;5.78,-4.65,;5.78,-3.11,)|
Show InChI InChI=1S/C17H16ClF2N3O2/c1-8-4-12(18)13(20)5-11(8)14-15(16(24)21-10-2-3-10)22-23-6-9(19)7-25-17(14)23/h4-5,9-10H,2-3,6-7H2,1H3,(H,21,24)/t9-/m0/s1
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399973
PNG
(US10323042, Example 53A | US10323042, Example 53B ...)
Show SMILES Cc1cc(C#N)c(F)cc1-c1c(nn2C[C@H](F)COc12)C(=O)NC1CC1 |r,wD:15.16,(-2.49,.13,;-1,.53,;-.6,2.02,;.9,2.47,;1.3,3.96,;1.7,5.45,;1.97,1.33,;3.46,1.73,;1.57,-.16,;.09,-.56,;-.31,-2.04,;.59,-3.29,;-.31,-4.54,;-1.78,-4.06,;-3.11,-4.83,;-4.44,-4.06,;-5.78,-4.83,;-4.44,-2.52,;-3.11,-1.75,;-1.78,-2.52,;2.13,-3.29,;2.9,-1.96,;2.9,-4.62,;4.44,-4.62,;5.78,-5.39,;5.78,-3.85,)|
Show InChI InChI=1S/C18H16F2N4O2/c1-9-4-10(6-21)14(20)5-13(9)15-16(17(25)22-12-2-3-12)23-24-7-11(19)8-26-18(15)24/h4-5,11-12H,2-3,7-8H2,1H3,(H,22,25)/t11-/m0/s1
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM399927
PNG
((6S)-3-(4-Chloro-2,5-difluorophenyl)-N-cyclopropyl...)
Show SMILES F[C@@H]1COc2c(c(nn2C1)C(=O)NC1CC1)-c1cc(F)c(Cl)cc1F |r,wD:1.0,(-5.04,-16.18,;-3.71,-15.41,;-3.71,-13.87,;-2.37,-13.1,;-1.04,-13.87,;.42,-13.4,;1.33,-14.64,;.42,-15.89,;-1.04,-15.41,;-2.37,-16.18,;2.87,-14.64,;3.64,-13.31,;3.64,-15.97,;5.18,-15.97,;6.51,-16.74,;6.51,-15.2,;.82,-11.91,;2.31,-11.51,;2.71,-10.02,;4.2,-9.62,;1.62,-8.93,;2.02,-7.44,;.13,-9.33,;-.27,-10.82,;-1.75,-11.22,)|
Show InChI InChI=1S/C16H13ClF3N3O2/c17-10-4-11(19)9(3-12(10)20)13-14(15(24)21-8-1-2-8)22-23-5-7(18)6-25-16(13)23/h3-4,7-8H,1-2,5-6H2,(H,21,24)/t7-/m0/s1
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM399979
PNG
(US10323042, Example 58)
Show SMILES Fc1cc(-c2c3OCC(F)(F)Cn3nc2C(=O)NC2CC2)c(F)cc1Cl |(3.46,2.47,;1.97,2.07,;1.57,.59,;.09,.19,;-.31,-1.3,;-1.78,-1.78,;-3.11,-1.01,;-4.44,-1.78,;-4.44,-3.32,;-5.78,-4.09,;-4.44,-4.86,;-3.11,-4.09,;-1.78,-3.32,;-.31,-3.79,;.59,-2.55,;2.13,-2.55,;2.9,-1.21,;2.9,-3.88,;4.44,-3.88,;5.78,-4.65,;5.78,-3.11,;-1,1.28,;-2.49,.88,;-.6,2.76,;.88,3.16,;1.28,4.65,)|
Show InChI InChI=1S/C16H12ClF4N3O2/c17-9-4-10(18)8(3-11(9)19)12-13(14(25)22-7-1-2-7)23-24-5-16(20,21)6-26-15(12)24/h3-4,7H,1-2,5-6H2,(H,22,25)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM399973
PNG
(US10323042, Example 53A | US10323042, Example 53B ...)
Show SMILES Cc1cc(C#N)c(F)cc1-c1c(nn2C[C@H](F)COc12)C(=O)NC1CC1 |r,wD:15.16,(-2.49,.13,;-1,.53,;-.6,2.02,;.9,2.47,;1.3,3.96,;1.7,5.45,;1.97,1.33,;3.46,1.73,;1.57,-.16,;.09,-.56,;-.31,-2.04,;.59,-3.29,;-.31,-4.54,;-1.78,-4.06,;-3.11,-4.83,;-4.44,-4.06,;-5.78,-4.83,;-4.44,-2.52,;-3.11,-1.75,;-1.78,-2.52,;2.13,-3.29,;2.9,-1.96,;2.9,-4.62,;4.44,-4.62,;5.78,-5.39,;5.78,-3.85,)|
Show InChI InChI=1S/C18H16F2N4O2/c1-9-4-10(6-21)14(20)5-13(9)15-16(17(25)22-12-2-3-12)23-24-7-11(19)8-26-18(15)24/h4-5,11-12H,2-3,7-8H2,1H3,(H,22,25)/t11-/m0/s1
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399937
PNG
(US10323042, Example 17 | US10738063, Example 17)
Show SMILES Cc1cc(Cl)c(F)cc1-c1c2OCCCn2nc1C(=O)NC1CC1 |(-3.16,.88,;-1.67,1.28,;-1.27,2.76,;.22,3.16,;.62,4.65,;1.31,2.07,;2.79,2.47,;.91,.59,;-.58,.19,;-.98,-1.3,;-2.44,-1.78,;-3.78,-1.01,;-5.11,-1.78,;-5.11,-3.32,;-3.78,-4.09,;-2.44,-3.32,;-.98,-3.79,;-.07,-2.55,;1.47,-2.55,;2.24,-1.21,;2.24,-3.88,;3.78,-3.88,;5.11,-4.65,;5.11,-3.11,)|
Show InChI InChI=1S/C17H17ClFN3O2/c1-9-7-12(18)13(19)8-11(9)14-15(16(23)20-10-3-4-10)21-22-5-2-6-24-17(14)22/h7-8,10H,2-6H2,1H3,(H,20,23)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399971
PNG
(US10323042, Example 51 | US10738063, Example 51)
Show SMILES Cc1cc(C#N)c(F)cc1-c1c(nn2CC(F)COc12)C(=O)NC1CC1 |(-2.49,.13,;-1,.53,;-.6,2.02,;.9,2.47,;1.3,3.96,;1.7,5.45,;1.97,1.33,;3.46,1.73,;1.57,-.16,;.09,-.56,;-.31,-2.04,;.59,-3.29,;-.31,-4.54,;-1.78,-4.06,;-3.11,-4.83,;-4.44,-4.06,;-5.78,-4.83,;-4.44,-2.52,;-3.11,-1.75,;-1.78,-2.52,;2.13,-3.29,;2.9,-1.96,;2.9,-4.62,;4.44,-4.62,;5.78,-5.39,;5.78,-3.85,)|
Show InChI InChI=1S/C18H16F2N4O2/c1-9-4-10(6-21)14(20)5-13(9)15-16(17(25)22-12-2-3-12)23-24-7-11(19)8-26-18(15)24/h4-5,11-12H,2-3,7-8H2,1H3,(H,22,25)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399968
PNG
(US10323042, Example 48 | US10738063, Example 48)
Show SMILES Cc1cc(Cl)c(F)cc1-c1c2OCCCn2nc1C(=O)N1CCC1 |(-2.46,1.44,;-.98,1.83,;-.58,3.32,;.91,3.72,;1.31,5.21,;2,2.63,;3.49,3.03,;1.6,1.14,;.11,.75,;-.29,-.74,;-1.75,-1.22,;-3.08,-.45,;-4.42,-1.22,;-4.42,-2.76,;-3.08,-3.53,;-1.75,-2.76,;-.29,-3.23,;.62,-1.99,;2.16,-1.99,;2.93,-.65,;2.93,-3.32,;2.53,-4.81,;4.02,-5.21,;4.42,-3.72,)|
Show InChI InChI=1S/C17H17ClFN3O2/c1-10-8-12(18)13(19)9-11(10)14-15(16(23)21-4-2-5-21)20-22-6-3-7-24-17(14)22/h8-9H,2-7H2,1H3
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399969
PNG
(US10323042, Example 49 | US10738063, Example 49)
Show SMILES Fc1cc(cc(F)c1Cl)-c1c2OCCCn2nc1C(=O)N1CCC1
Show InChI InChI=1S/C16H14ClF2N3O2/c17-13-10(18)7-9(8-11(13)19)12-14(15(23)21-3-1-4-21)20-22-5-2-6-24-16(12)22/h7-8H,1-6H2
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399926
PNG
((6S)-3-(4-Chloro-2-methylphenyl)-N-cyclopropyl-6-f...)
Show SMILES Cc1cc(Cl)ccc1-c1c(nn2C[C@H](F)COc12)C(=O)NC1CC1 |r,wD:13.14,(-13.69,-21.89,;-12.21,-21.49,;-11.81,-20.01,;-10.32,-19.61,;-9.92,-18.12,;-9.23,-20.7,;-9.63,-22.18,;-11.12,-22.58,;-11.52,-24.07,;-10.61,-25.32,;-11.52,-26.56,;-12.98,-26.09,;-14.31,-26.86,;-15.65,-26.09,;-16.98,-26.86,;-15.65,-24.55,;-14.31,-23.78,;-12.98,-24.55,;-9.07,-25.32,;-8.3,-23.98,;-8.3,-26.65,;-6.76,-26.65,;-5.43,-27.42,;-5.43,-25.88,)|
Show InChI InChI=1S/C17H17ClFN3O2/c1-9-6-10(18)2-5-13(9)14-15(16(23)20-12-3-4-12)21-22-7-11(19)8-24-17(14)22/h2,5-6,11-12H,3-4,7-8H2,1H3,(H,20,23)/t11-/m0/s1
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399967
PNG
(US10323042, Example 47 | US10738063, Example 47)
Show SMILES Fc1cc(cc(F)c1Cl)-c1c2OCCCn2nc1C(=O)NC1CC1
Show InChI InChI=1S/C16H14ClF2N3O2/c17-13-10(18)6-8(7-11(13)19)12-14(15(23)20-9-2-3-9)21-22-4-1-5-24-16(12)22/h6-7,9H,1-5H2,(H,20,23)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))		BDBM399979
PNG
(US10323042, Example 58)
Show SMILES Fc1cc(-c2c3OCC(F)(F)Cn3nc2C(=O)NC2CC2)c(F)cc1Cl |(3.46,2.47,;1.97,2.07,;1.57,.59,;.09,.19,;-.31,-1.3,;-1.78,-1.78,;-3.11,-1.01,;-4.44,-1.78,;-4.44,-3.32,;-5.78,-4.09,;-4.44,-4.86,;-3.11,-4.09,;-1.78,-3.32,;-.31,-3.79,;.59,-2.55,;2.13,-2.55,;2.9,-1.21,;2.9,-3.88,;4.44,-3.88,;5.78,-4.65,;5.78,-3.11,;-1,1.28,;-2.49,.88,;-.6,2.76,;.88,3.16,;1.28,4.65,)|
Show InChI InChI=1S/C16H12ClF4N3O2/c17-9-4-10(18)8(3-11(9)19)12-13(14(25)22-7-1-2-7)23-24-5-16(20,21)6-26-15(12)24/h3-4,7H,1-2,5-6H2,(H,22,25)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399960
PNG
(US10323042, Example 40 | US10738063, Example 40)
Show SMILES FC1COc2c(c(nn2C1)C(=O)NC1CC1)-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C16H14ClF2N3O2/c17-11-4-1-8(5-12(11)19)13-14(15(23)20-10-2-3-10)21-22-6-9(18)7-24-16(13)22/h1,4-5,9-10H,2-3,6-7H2,(H,20,23)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399964
PNG
(US10323042, Example 44 | US10738063, Example 44)
Show SMILES Cc1cc(Cl)ccc1-c1c(nn2CC(F)COc12)C(=O)NC1CC1 |(-2.49,.88,;-1,1.28,;-.6,2.76,;.88,3.16,;1.28,4.65,;1.97,2.07,;1.57,.59,;.09,.19,;-.31,-1.3,;.59,-2.55,;-.31,-3.79,;-1.78,-3.32,;-3.11,-4.09,;-4.44,-3.32,;-5.78,-4.09,;-4.44,-1.78,;-3.11,-1.01,;-1.78,-1.78,;2.13,-2.55,;2.9,-1.21,;2.9,-3.88,;4.44,-3.88,;5.78,-4.65,;5.78,-3.11,)|
Show InChI InChI=1S/C17H17ClFN3O2/c1-9-6-10(18)2-5-13(9)14-15(16(23)20-12-3-4-12)21-22-7-11(19)8-24-17(14)22/h2,5-6,11-12H,3-4,7-8H2,1H3,(H,20,23)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM399937
PNG
(US10323042, Example 17 | US10738063, Example 17)
Show SMILES Cc1cc(Cl)c(F)cc1-c1c2OCCCn2nc1C(=O)NC1CC1 |(-3.16,.88,;-1.67,1.28,;-1.27,2.76,;.22,3.16,;.62,4.65,;1.31,2.07,;2.79,2.47,;.91,.59,;-.58,.19,;-.98,-1.3,;-2.44,-1.78,;-3.78,-1.01,;-5.11,-1.78,;-5.11,-3.32,;-3.78,-4.09,;-2.44,-3.32,;-.98,-3.79,;-.07,-2.55,;1.47,-2.55,;2.24,-1.21,;2.24,-3.88,;3.78,-3.88,;5.11,-4.65,;5.11,-3.11,)|
Show InChI InChI=1S/C17H17ClFN3O2/c1-9-7-12(18)13(19)8-11(9)14-15(16(23)20-10-3-4-10)21-22-5-2-6-24-17(14)22/h7-8,10H,2-6H2,1H3,(H,20,23)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399938
PNG
(US10323042, Example 18 | US10738063, Example 18)
Show SMILES Cc1cc(C#N)c(F)cc1-c1c2OCCCn2nc1C(=O)N1CCC1 |(-2.46,.69,;-.98,1.09,;-.58,2.58,;.93,3.03,;1.32,4.52,;1.72,6,;2,1.89,;3.49,2.29,;1.6,.4,;.11,0,;-.29,-1.49,;-1.75,-1.96,;-3.08,-1.19,;-4.42,-1.96,;-4.42,-3.5,;-3.08,-4.27,;-1.75,-3.5,;-.29,-3.98,;.62,-2.73,;2.16,-2.73,;2.93,-1.4,;2.93,-4.07,;2.53,-5.55,;4.02,-5.95,;4.42,-4.46,)|
Show InChI InChI=1S/C18H17FN4O2/c1-11-8-12(10-20)14(19)9-13(11)15-16(17(24)22-4-2-5-22)21-23-6-3-7-25-18(15)23/h8-9H,2-7H2,1H3
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399975
PNG
(US10323042, Example 54 | US10738063, Example 54)
Show SMILES F[C@@H]1COc2c(c(nn2C1)C(=O)NC1CC1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C16H15ClFN3O2/c17-10-3-1-9(2-4-10)13-14(15(22)19-12-5-6-12)20-21-7-11(18)8-23-16(13)21/h1-4,11-12H,5-8H2,(H,19,22)/t11-/m0/s1
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399958
PNG
(US10323042, Example 38 | US10738063, Example 38)
Show SMILES CCNC(=O)c1nn2CCCOc2c1-c1cc(F)c(Cl)cc1C |(4.83,-4.93,;4.06,-3.6,;2.52,-3.6,;1.75,-2.26,;2.52,-.93,;.21,-2.26,;-.7,-3.51,;-2.16,-3.03,;-3.49,-3.8,;-4.83,-3.03,;-4.83,-1.49,;-3.49,-.72,;-2.16,-1.49,;-.7,-1.02,;-.3,.47,;1.19,.87,;1.59,2.36,;3.08,2.75,;.5,3.44,;.9,4.93,;-.99,3.05,;-1.39,1.56,;-2.87,1.16,)|
Show InChI InChI=1S/C16H17ClFN3O2/c1-3-19-15(22)14-13(16-21(20-14)5-4-6-23-16)10-8-12(18)11(17)7-9(10)2/h7-8H,3-6H2,1-2H3,(H,19,22)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM399971
PNG
(US10323042, Example 51 | US10738063, Example 51)
Show SMILES Cc1cc(C#N)c(F)cc1-c1c(nn2CC(F)COc12)C(=O)NC1CC1 |(-2.49,.13,;-1,.53,;-.6,2.02,;.9,2.47,;1.3,3.96,;1.7,5.45,;1.97,1.33,;3.46,1.73,;1.57,-.16,;.09,-.56,;-.31,-2.04,;.59,-3.29,;-.31,-4.54,;-1.78,-4.06,;-3.11,-4.83,;-4.44,-4.06,;-5.78,-4.83,;-4.44,-2.52,;-3.11,-1.75,;-1.78,-2.52,;2.13,-3.29,;2.9,-1.96,;2.9,-4.62,;4.44,-4.62,;5.78,-5.39,;5.78,-3.85,)|
Show InChI InChI=1S/C18H16F2N4O2/c1-9-4-10(6-21)14(20)5-13(9)15-16(17(25)22-12-2-3-12)23-24-7-11(19)8-26-18(15)24/h4-5,11-12H,2-3,7-8H2,1H3,(H,22,25)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM399923
PNG
(Azetidin-1-yl[3-(4-chloro-2,5-difluorophenyl)-6,7-...)
Show SMILES Fc1cc(-c2c3OCCCn3nc2C(=O)N2CCC2)c(F)cc1Cl |(9.38,-16.65,;7.89,-17.05,;7.49,-18.54,;6,-18.94,;5.6,-20.43,;4.14,-20.9,;2.8,-20.13,;1.47,-20.9,;1.47,-22.44,;2.8,-23.21,;4.14,-22.44,;5.6,-22.92,;6.51,-21.67,;8.05,-21.67,;8.82,-20.34,;8.82,-23.01,;8.42,-24.49,;9.91,-24.89,;10.31,-23.4,;4.91,-17.85,;3.43,-18.25,;5.31,-16.36,;6.8,-15.96,;7.2,-14.48,)|
Show InChI InChI=1S/C16H14ClF2N3O2/c17-10-8-11(18)9(7-12(10)19)13-14(15(23)21-3-1-4-21)20-22-5-2-6-24-16(13)22/h7-8H,1-6H2
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM399928
PNG
(3-(4-Chloro-2-methylphenyl)-N-cyclopropyl-6,6-difl...)
Show SMILES Cc1cc(Cl)ccc1-c1c2OCC(F)(F)Cn2nc1C(=O)NC1CC1 |(1.97,-5.49,;3.45,-5.09,;3.85,-3.6,;5.34,-3.21,;5.74,-1.72,;6.43,-4.29,;6.03,-5.78,;4.54,-6.18,;4.14,-7.67,;2.68,-8.14,;1.35,-7.37,;.01,-8.14,;.01,-9.68,;-.76,-11.02,;-1.53,-9.68,;1.35,-10.45,;2.68,-9.68,;4.14,-10.16,;5.05,-8.91,;6.59,-8.91,;7.36,-7.58,;7.36,-10.25,;8.9,-10.25,;10.23,-11.02,;10.23,-9.48,)|
Show InChI InChI=1S/C17H16ClF2N3O2/c1-9-6-10(18)2-5-12(9)13-14(15(24)21-11-3-4-11)22-23-7-17(19,20)8-25-16(13)23/h2,5-6,11H,3-4,7-8H2,1H3,(H,21,24)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))		BDBM399978
PNG
(US10323042, Example 57 | US10738063, Example 57)
Show SMILES Cc1cc(Cl)c(F)cc1-c1c(nn2C[C@H](F)COc12)C(=O)NC1CC1 |r,wD:14.15,(-2.49,.88,;-1,1.28,;-.6,2.76,;.88,3.16,;1.28,4.65,;1.97,2.07,;3.46,2.47,;1.57,.59,;.09,.19,;-.31,-1.3,;.59,-2.55,;-.31,-3.79,;-1.78,-3.32,;-3.11,-4.09,;-4.44,-3.32,;-5.78,-4.09,;-4.44,-1.78,;-3.11,-1.01,;-1.78,-1.78,;2.13,-2.55,;2.9,-1.21,;2.9,-3.88,;4.44,-3.88,;5.78,-4.65,;5.78,-3.11,)|
Show InChI InChI=1S/C17H16ClF2N3O2/c1-8-4-12(18)13(20)5-11(8)14-15(16(24)21-10-2-3-10)22-23-6-9(19)7-25-17(14)23/h4-5,9-10H,2-3,6-7H2,1H3,(H,21,24)/t9-/m0/s1
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM399973
PNG
(US10323042, Example 53A | US10323042, Example 53B ...)
Show SMILES Cc1cc(C#N)c(F)cc1-c1c(nn2C[C@H](F)COc12)C(=O)NC1CC1 |r,wD:15.16,(-2.49,.13,;-1,.53,;-.6,2.02,;.9,2.47,;1.3,3.96,;1.7,5.45,;1.97,1.33,;3.46,1.73,;1.57,-.16,;.09,-.56,;-.31,-2.04,;.59,-3.29,;-.31,-4.54,;-1.78,-4.06,;-3.11,-4.83,;-4.44,-4.06,;-5.78,-4.83,;-4.44,-2.52,;-3.11,-1.75,;-1.78,-2.52,;2.13,-3.29,;2.9,-1.96,;2.9,-4.62,;4.44,-4.62,;5.78,-5.39,;5.78,-3.85,)|
Show InChI InChI=1S/C18H16F2N4O2/c1-9-4-10(6-21)14(20)5-13(9)15-16(17(25)22-12-2-3-12)23-24-7-11(19)8-26-18(15)24/h4-5,11-12H,2-3,7-8H2,1H3,(H,22,25)/t11-/m0/s1
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))		BDBM399927
PNG
((6S)-3-(4-Chloro-2,5-difluorophenyl)-N-cyclopropyl...)
Show SMILES F[C@@H]1COc2c(c(nn2C1)C(=O)NC1CC1)-c1cc(F)c(Cl)cc1F |r,wD:1.0,(-5.04,-16.18,;-3.71,-15.41,;-3.71,-13.87,;-2.37,-13.1,;-1.04,-13.87,;.42,-13.4,;1.33,-14.64,;.42,-15.89,;-1.04,-15.41,;-2.37,-16.18,;2.87,-14.64,;3.64,-13.31,;3.64,-15.97,;5.18,-15.97,;6.51,-16.74,;6.51,-15.2,;.82,-11.91,;2.31,-11.51,;2.71,-10.02,;4.2,-9.62,;1.62,-8.93,;2.02,-7.44,;.13,-9.33,;-.27,-10.82,;-1.75,-11.22,)|
Show InChI InChI=1S/C16H13ClF3N3O2/c17-10-4-11(19)9(3-12(10)20)13-14(15(24)21-8-1-2-8)22-23-5-7(18)6-25-16(13)23/h3-4,7-8H,1-2,5-6H2,(H,21,24)/t7-/m0/s1
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399923
PNG
(Azetidin-1-yl[3-(4-chloro-2,5-difluorophenyl)-6,7-...)
Show SMILES Fc1cc(-c2c3OCCCn3nc2C(=O)N2CCC2)c(F)cc1Cl |(9.38,-16.65,;7.89,-17.05,;7.49,-18.54,;6,-18.94,;5.6,-20.43,;4.14,-20.9,;2.8,-20.13,;1.47,-20.9,;1.47,-22.44,;2.8,-23.21,;4.14,-22.44,;5.6,-22.92,;6.51,-21.67,;8.05,-21.67,;8.82,-20.34,;8.82,-23.01,;8.42,-24.49,;9.91,-24.89,;10.31,-23.4,;4.91,-17.85,;3.43,-18.25,;5.31,-16.36,;6.8,-15.96,;7.2,-14.48,)|
Show InChI InChI=1S/C16H14ClF2N3O2/c17-10-8-11(18)9(7-12(10)19)13-14(15(23)21-3-1-4-21)20-22-5-2-6-24-16(13)22/h7-8H,1-6H2
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399939
PNG
(US10323042, Example 19)
Show SMILES FC1(F)COc2c(c(nn2C1)C(=O)NC1CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H14ClF2N3O2/c17-10-3-1-9(2-4-10)12-13(14(23)20-11-5-6-11)21-22-7-16(18,19)8-24-15(12)22/h1-4,11H,5-8H2,(H,20,23)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399925
PNG
(3-(4-Cyano-5-fluoro-2-methylphenyl)-N-cyclopropyl-...)
Show SMILES Cc1cc(C#N)c(F)cc1-c1c(nn2CCCOc12)C(=O)NC1CC1 |(-3.22,-18.2,;-1.72,-17.88,;-1.24,-16.42,;.28,-16.05,;.76,-14.58,;1.24,-13.12,;1.3,-17.24,;2.8,-16.92,;.82,-18.71,;-.68,-19.03,;-1.16,-20.49,;-.26,-21.74,;-1.16,-22.98,;-2.63,-22.51,;-3.96,-23.28,;-5.29,-22.51,;-5.29,-20.97,;-3.96,-20.2,;-2.63,-20.97,;1.28,-21.74,;2.05,-20.4,;2.05,-23.07,;3.59,-23.07,;4.93,-23.84,;4.93,-22.3,)|
Show InChI InChI=1S/C18H17FN4O2/c1-10-7-11(9-20)14(19)8-13(10)15-16(17(24)21-12-3-4-12)22-23-5-2-6-25-18(15)23/h7-8,12H,2-6H2,1H3,(H,21,24)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399936
PNG
(US10323042, Example 16 | US10738063, Example 16)
Show SMILES Fc1cc(-c2c3OCCCn3nc2C(=O)NC2CC2)c(F)cc1Cl |(2.79,2.47,;1.31,2.07,;.91,.59,;-.58,.19,;-.98,-1.3,;-2.44,-1.78,;-3.78,-1.01,;-5.11,-1.78,;-5.11,-3.32,;-3.78,-4.09,;-2.44,-3.32,;-.98,-3.79,;-.07,-2.55,;1.47,-2.55,;2.24,-1.21,;2.24,-3.88,;3.78,-3.88,;5.11,-4.65,;5.11,-3.11,;-1.67,1.28,;-3.16,.88,;-1.27,2.76,;.22,3.16,;.62,4.65,)|
Show InChI InChI=1S/C16H14ClF2N3O2/c17-10-7-11(18)9(6-12(10)19)13-14(15(23)20-8-2-3-8)21-22-4-1-5-24-16(13)22/h6-8H,1-5H2,(H,20,23)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM399934
PNG
(US10323042, Example 14 | US10738063, Example 14)
Show SMILES Clc1ccc(cc1Cl)-c1c(nn2CCCOc12)C(=O)N1CCC1
Show InChI InChI=1S/C16H15Cl2N3O2/c17-11-4-3-10(9-12(11)18)13-14(15(22)20-5-1-6-20)19-21-7-2-8-23-16(13)21/h3-4,9H,1-2,5-8H2
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399963
PNG
(US10323042, Example 43 | US10738063, Example 43)
Show SMILES FC1COc2c(c(nn2C1)C(=O)NC1CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClFN3O2/c17-10-3-1-9(2-4-10)13-14(15(22)19-12-5-6-12)20-21-7-11(18)8-23-16(13)21/h1-4,11-12H,5-8H2,(H,19,22)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399970
PNG
(US10323042, Example 50 | US10738063, Example 50)
Show SMILES Fc1cc(-c2c3OCCCn3nc2C(=O)N2CCC2)c(F)cc1C#N |(3.49,2.29,;2,1.89,;1.6,.4,;.11,0,;-.29,-1.49,;-1.75,-1.96,;-3.08,-1.19,;-4.42,-1.96,;-4.42,-3.5,;-3.08,-4.27,;-1.75,-3.5,;-.29,-3.98,;.62,-2.73,;2.16,-2.73,;2.93,-1.4,;2.93,-4.07,;2.53,-5.55,;4.02,-5.95,;4.42,-4.46,;-.98,1.09,;-2.46,.69,;-.58,2.58,;.93,3.03,;1.32,4.52,;1.72,6,)|
Show InChI InChI=1S/C17H14F2N4O2/c18-12-8-11(13(19)7-10(12)9-20)14-15(16(24)22-3-1-4-22)21-23-5-2-6-25-17(14)23/h7-8H,1-6H2
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM399938
PNG
(US10323042, Example 18 | US10738063, Example 18)
Show SMILES Cc1cc(C#N)c(F)cc1-c1c2OCCCn2nc1C(=O)N1CCC1 |(-2.46,.69,;-.98,1.09,;-.58,2.58,;.93,3.03,;1.32,4.52,;1.72,6,;2,1.89,;3.49,2.29,;1.6,.4,;.11,0,;-.29,-1.49,;-1.75,-1.96,;-3.08,-1.19,;-4.42,-1.96,;-4.42,-3.5,;-3.08,-4.27,;-1.75,-3.5,;-.29,-3.98,;.62,-2.73,;2.16,-2.73,;2.93,-1.4,;2.93,-4.07,;2.53,-5.55,;4.02,-5.95,;4.42,-4.46,)|
Show InChI InChI=1S/C18H17FN4O2/c1-11-8-12(10-20)14(19)9-13(11)15-16(17(24)22-4-2-5-22)21-23-6-3-7-25-18(15)23/h8-9H,2-7H2,1H3
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The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399959
PNG
(US10323042, Example 39 | US10738063, Example 39)
Show SMILES CCNC(=O)c1nn2CCCOc2c1-c1cc(F)c(Cl)cc1F |(4.83,-4.93,;4.06,-3.6,;2.52,-3.6,;1.75,-2.26,;2.52,-.93,;.21,-2.26,;-.7,-3.51,;-2.16,-3.03,;-3.49,-3.8,;-4.83,-3.03,;-4.83,-1.49,;-3.49,-.72,;-2.16,-1.49,;-.7,-1.02,;-.3,.47,;1.19,.87,;1.59,2.36,;3.08,2.75,;.5,3.44,;.9,4.93,;-.99,3.05,;-1.39,1.56,;-2.87,1.16,)|
Show InChI InChI=1S/C15H14ClF2N3O2/c1-2-19-14(22)13-12(15-21(20-13)4-3-5-23-15)8-6-11(18)9(16)7-10(8)17/h6-7H,2-5H2,1H3,(H,19,22)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM399926
PNG
((6S)-3-(4-Chloro-2-methylphenyl)-N-cyclopropyl-6-f...)
Show SMILES Cc1cc(Cl)ccc1-c1c(nn2C[C@H](F)COc12)C(=O)NC1CC1 |r,wD:13.14,(-13.69,-21.89,;-12.21,-21.49,;-11.81,-20.01,;-10.32,-19.61,;-9.92,-18.12,;-9.23,-20.7,;-9.63,-22.18,;-11.12,-22.58,;-11.52,-24.07,;-10.61,-25.32,;-11.52,-26.56,;-12.98,-26.09,;-14.31,-26.86,;-15.65,-26.09,;-16.98,-26.86,;-15.65,-24.55,;-14.31,-23.78,;-12.98,-24.55,;-9.07,-25.32,;-8.3,-23.98,;-8.3,-26.65,;-6.76,-26.65,;-5.43,-27.42,;-5.43,-25.88,)|
Show InChI InChI=1S/C17H17ClFN3O2/c1-9-6-10(18)2-5-13(9)14-15(16(23)20-12-3-4-12)21-22-7-11(19)8-24-17(14)22/h2,5-6,11-12H,3-4,7-8H2,1H3,(H,20,23)/t11-/m0/s1
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))		BDBM399967
PNG
(US10323042, Example 47 | US10738063, Example 47)
Show SMILES Fc1cc(cc(F)c1Cl)-c1c2OCCCn2nc1C(=O)NC1CC1
Show InChI InChI=1S/C16H14ClF2N3O2/c17-13-10(18)6-8(7-11(13)19)12-14(15(23)20-9-2-3-9)21-22-4-1-5-24-16(12)22/h6-7,9H,1-5H2,(H,20,23)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM399936
PNG
(US10323042, Example 16 | US10738063, Example 16)
Show SMILES Fc1cc(-c2c3OCCCn3nc2C(=O)NC2CC2)c(F)cc1Cl |(2.79,2.47,;1.31,2.07,;.91,.59,;-.58,.19,;-.98,-1.3,;-2.44,-1.78,;-3.78,-1.01,;-5.11,-1.78,;-5.11,-3.32,;-3.78,-4.09,;-2.44,-3.32,;-.98,-3.79,;-.07,-2.55,;1.47,-2.55,;2.24,-1.21,;2.24,-3.88,;3.78,-3.88,;5.11,-4.65,;5.11,-3.11,;-1.67,1.28,;-3.16,.88,;-1.27,2.76,;.22,3.16,;.62,4.65,)|
Show InChI InChI=1S/C16H14ClF2N3O2/c17-10-7-11(18)9(6-12(10)19)13-14(15(23)20-8-2-3-8)21-22-4-1-5-24-16(13)22/h6-8H,1-5H2,(H,20,23)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))		BDBM399952
PNG
(US10323042, Example 32 | US10738063, Example 32)
Show SMILES Clc1cccc(c1)-c1c(nn2CCCOc12)C(=O)N1CCC1
Show InChI InChI=1S/C16H16ClN3O2/c17-12-5-1-4-11(10-12)13-14(15(21)19-6-2-7-19)18-20-8-3-9-22-16(13)20/h1,4-5,10H,2-3,6-9H2
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399933
PNG
(US10323042, Example 13 | US10738063, Example 13)
Show SMILES Fc1cc(ccc1Cl)-c1c2OCCCn2nc1C(=O)NC1CC1
Show InChI InChI=1S/C16H15ClFN3O2/c17-11-5-2-9(8-12(11)18)13-14(15(22)19-10-3-4-10)20-21-6-1-7-23-16(13)21/h2,5,8,10H,1,3-4,6-7H2,(H,19,22)
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Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM399960
PNG
(US10323042, Example 40 | US10738063, Example 40)
Show SMILES FC1COc2c(c(nn2C1)C(=O)NC1CC1)-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C16H14ClF2N3O2/c17-11-4-1-8(5-12(11)19)13-14(15(23)20-10-2-3-10)21-22-6-9(18)7-24-16(13)22/h1,4-5,9-10H,2-3,6-7H2,(H,20,23)
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CNR



Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM399964
PNG
(US10323042, Example 44 | US10738063, Example 44)
Show SMILES Cc1cc(Cl)ccc1-c1c(nn2CC(F)COc12)C(=O)NC1CC1 |(-2.49,.88,;-1,1.28,;-.6,2.76,;.88,3.16,;1.28,4.65,;1.97,2.07,;1.57,.59,;.09,.19,;-.31,-1.3,;.59,-2.55,;-.31,-3.79,;-1.78,-3.32,;-3.11,-4.09,;-4.44,-3.32,;-5.78,-4.09,;-4.44,-1.78,;-3.11,-1.01,;-1.78,-1.78,;2.13,-2.55,;2.9,-1.21,;2.9,-3.88,;4.44,-3.88,;5.78,-4.65,;5.78,-3.11,)|
Show InChI InChI=1S/C17H17ClFN3O2/c1-9-6-10(18)2-5-13(9)14-15(16(23)20-12-3-4-12)21-22-7-11(19)8-24-17(14)22/h2,5-6,11-12H,3-4,7-8H2,1H3,(H,20,23)
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CNR



Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399956
PNG
(US10323042, Example 36 | US10738063, Example 36)
Show SMILES CCNC(=O)c1nn2CCCOc2c1-c1cc(F)c(cc1C)C#N |(4.83,-5.68,;4.06,-4.34,;2.52,-4.34,;1.75,-3.01,;2.52,-1.67,;.21,-3.01,;-.7,-4.25,;-2.16,-3.78,;-3.49,-4.55,;-4.83,-3.78,;-4.83,-2.24,;-3.49,-1.47,;-2.16,-2.24,;-.7,-1.76,;-.3,-.27,;1.19,.12,;1.59,1.61,;3.08,2.01,;.51,2.75,;-.99,2.3,;-1.39,.81,;-2.87,.42,;.91,4.24,;1.31,5.73,)|
Show InChI InChI=1S/C17H17FN4O2/c1-3-20-16(23)15-14(17-22(21-15)5-4-6-24-17)12-8-13(18)11(9-19)7-10(12)2/h7-8H,3-6H2,1-2H3,(H,20,23)
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CNR



Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM399933
PNG
(US10323042, Example 13 | US10738063, Example 13)
Show SMILES Fc1cc(ccc1Cl)-c1c2OCCCn2nc1C(=O)NC1CC1
Show InChI InChI=1S/C16H15ClFN3O2/c17-11-5-2-9(8-12(11)18)13-14(15(22)19-10-3-4-10)20-21-6-1-7-23-16(13)21/h2,5,8,10H,1,3-4,6-7H2,(H,19,22)
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CNR



Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM399935
PNG
(US10323042, Example 15 | US10738063, Example 15)
Show SMILES Fc1cc(ccc1Cl)-c1c2OCCCn2nc1C(=O)N1CCC1
Show InChI InChI=1S/C16H15ClFN3O2/c17-11-4-3-10(9-12(11)18)13-14(15(22)20-5-1-6-20)19-21-7-2-8-23-16(13)21/h3-4,9H,1-2,5-8H2
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CNR



Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))		BDBM399968
PNG
(US10323042, Example 48 | US10738063, Example 48)
Show SMILES Cc1cc(Cl)c(F)cc1-c1c2OCCCn2nc1C(=O)N1CCC1 |(-2.46,1.44,;-.98,1.83,;-.58,3.32,;.91,3.72,;1.31,5.21,;2,2.63,;3.49,3.03,;1.6,1.14,;.11,.75,;-.29,-.74,;-1.75,-1.22,;-3.08,-.45,;-4.42,-1.22,;-4.42,-2.76,;-3.08,-3.53,;-1.75,-2.76,;-.29,-3.23,;.62,-1.99,;2.16,-1.99,;2.93,-.65,;2.93,-3.32,;2.53,-4.81,;4.02,-5.21,;4.42,-3.72,)|
Show InChI InChI=1S/C17H17ClFN3O2/c1-10-8-12(18)13(19)9-11(10)14-15(16(23)21-4-2-5-21)20-22-6-3-7-24-17(14)22/h8-9H,2-7H2,1H3
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CNR



Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4A (PDE4A8)


(Homo sapiens (Human))		BDBM399965
PNG
(US10323042, Example 45 | US10738063, Example 45)
Show SMILES Fc1ccc(cc1Cl)-c1c2OCCCn2nc1C(=O)NC1CC1
Show InChI InChI=1S/C16H15ClFN3O2/c17-11-8-9(2-5-12(11)18)13-14(15(22)19-10-3-4-10)20-21-6-1-7-23-16(13)21/h2,5,8,10H,1,3-4,6-7H2,(H,19,22)
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CNR



Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...

J Med Chem 52: 5990-8 (2009)


BindingDB Entry DOI: 10.7270/Q2NP26RH
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%