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Compile Data Set for Download or QSAR

Found 417 hits Enz. Inhib. hit(s) with Target = 'Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)'   
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 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285598
PNG
(3-(3-chloro-4-methylphenyl)-N-[(1R,2S)-2-fluorocyc...)
Show SMILES Cc1ccc(cc1Cl)-c1c(nc2cccnn12)C(=O)N[C@@H]1C[C@@H]1F |r|
Show InChI InChI=1S/C17H14ClFN4O/c1-9-4-5-10(7-11(9)18)16-15(17(24)21-13-8-12(13)19)22-14-3-2-6-20-23(14)16/h2-7,12-13H,8H2,1H3,(H,21,24)/t12-,13+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285534
PNG
(3-(4-Chloro-3-fluorophenyl)-N-(1-methyl-1H-pyrazol...)
Show SMILES Cn1cc(NC(=O)c2nc3cccnn3c2-c2ccc(Cl)c(F)c2)cn1
Show InChI InChI=1S/C17H12ClFN6O/c1-24-9-11(8-21-24)22-17(26)15-16(10-4-5-12(18)13(19)7-10)25-14(23-15)3-2-6-20-25/h2-9H,1H3,(H,22,26)
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n/an/a 2.35n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285634
PNG
(3-(4-chloro-3,5-difluoro-phenyl)-N-cyclopropyl-imi...)
Show SMILES Fc1cc(cc(F)c1Cl)-c1c(nc2cccnn12)C(=O)NC1CC1
Show InChI InChI=1S/C16H11ClF2N4O/c17-13-10(18)6-8(7-11(13)19)15-14(16(24)21-9-3-4-9)22-12-2-1-5-20-23(12)15/h1-2,5-7,9H,3-4H2,(H,21,24)
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n/an/a 4.69n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285537
PNG
(3-(4-chloro-3-fluoro-phenyl)-N-cyclopropyl-imidazo...)
Show SMILES Fc1cc(ccc1Cl)-c1c(nc2cccnn12)C(=O)NC1CC1
Show InChI InChI=1S/C16H12ClFN4O/c17-11-6-3-9(8-12(11)18)15-14(16(23)20-10-4-5-10)21-13-2-1-7-19-22(13)15/h1-3,6-8,10H,4-5H2,(H,20,23)
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n/an/a 6.84n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3) [50-672]


(Homo sapiens (Human))
BDBM577126
PNG
(10-(4-Chloro-3-fluorophenyl)-8-cyclopropyl-7,8-dih...)
Show SMILES Fc1cc(ccc1Cl)-c1c2C(=O)N(CCn2c2cccnc12)C1CC1
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n/an/a 9.07n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2XW4P16
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285572
PNG
(3-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-fluorocyc...)
Show SMILES F[C@H]1C[C@H]1NC(=O)c1nc2cccnn2c1-c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C16H11ClF2N4O/c17-9-4-3-8(6-10(9)18)15-14(16(24)21-12-7-11(12)19)22-13-2-1-5-20-23(13)15/h1-6,11-12H,7H2,(H,21,24)/t11-,12+/m0/s1
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n/an/a 11.7n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3) [50-672]


(Homo sapiens (Human))
BDBM577123
PNG
(10-(4-Chloro-5-fluoro-2-methylphenyl)-8-cyclopropy...)
Show SMILES Cc1cc(Cl)c(F)cc1-c1c2OCCCc2n2CCN(C3CC3)C(=O)c12 |(-3.15,.66,;-1.65,.98,;-1.17,2.44,;.35,2.81,;.83,4.28,;1.37,1.62,;2.87,1.94,;.89,.15,;-.62,-.17,;-1.09,-1.63,;-2.56,-2.11,;-3.89,-1.34,;-5.22,-2.11,;-5.22,-3.65,;-3.89,-4.42,;-2.56,-3.65,;-1.09,-4.12,;-.47,-5.53,;1.07,-5.69,;1.97,-4.45,;3.5,-4.61,;4.72,-5.55,;4.93,-4.02,;1.34,-3.04,;2.25,-1.79,;-.19,-2.88,)|
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n/an/a 12.7n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2XW4P16
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285556
PNG
(3-(4-chloro-3-fluorophenyl)-N-propylimidazo[1,2-b]...)
Show SMILES CCCNC(=O)c1nc2cccnn2c1-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C16H14ClFN4O/c1-2-7-19-16(23)14-15(10-5-6-11(17)12(18)9-10)22-13(21-14)4-3-8-20-22/h3-6,8-9H,2,7H2,1H3,(H,19,23)
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n/an/a 13.8n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285568
PNG
(N-cyclopropyl-3-(3-fluoro-4-methylphenyl)imidazo[1...)
Show SMILES Cc1ccc(cc1F)-c1c(nc2cccnn12)C(=O)NC1CC1
Show InChI InChI=1S/C17H15FN4O/c1-10-4-5-11(9-13(10)18)16-15(17(23)20-12-6-7-12)21-14-3-2-8-19-22(14)16/h2-5,8-9,12H,6-7H2,1H3,(H,20,23)
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n/an/a 16.8n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3) [50-672]


(Homo sapiens (Human))
BDBM577135
PNG
(8-Cyclopropyl-10-(3,4,5-trifluorophenyl)-7,8-dihyd...)
Show SMILES Fc1cc(cc(F)c1F)-c1c2C(=O)N(CCn2c2cccnc12)C1CC1
PDB

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n/an/a 17.2n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2XW4P16
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285540
PNG
(US10077269, Example 13 | US10669279, Example 13 | ...)
Show SMILES Fc1cc(ccc1Cl)-c1c(nc2cccnn12)C(=O)N1CCC1
Show InChI InChI=1S/C16H12ClFN4O/c17-11-5-4-10(9-12(11)18)15-14(16(23)21-7-2-8-21)20-13-3-1-6-19-22(13)15/h1,3-6,9H,2,7-8H2
PDB

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n/an/a 17.3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285576
PNG
(US10077269, Example 49 | US10669279, Example 49 | ...)
Show SMILES Cc1ccc(cc1Cl)-c1c(nc2cccnn12)C(=O)N1CCC1
Show InChI InChI=1S/C17H15ClN4O/c1-11-5-6-12(10-13(11)18)16-15(17(23)21-8-3-9-21)20-14-4-2-7-19-22(14)16/h2,4-7,10H,3,8-9H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3) [50-672]


(Homo sapiens (Human))
BDBM577143
PNG
(10-(3-Chlorophenyl)-8-cyclopropyl-7,8-dihydropyrid...)
Show SMILES Clc1cccc(c1)-c1c2C(=O)N(CCn2c2cccnc12)C1CC1
PDB

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n/an/a 19.8n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2XW4P16
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285627
PNG
(3-(4-chloro-5-fluoro-2-methylphenyl)-N-(propan-2-y...)
Show SMILES CC(C)NC(=O)c1nc2cccnn2c1-c1cc(F)c(Cl)cc1C |(4.83,-2.26,;4.06,-3.6,;4.83,-4.93,;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/C17H16ClFN4O/c1-9(2)21-17(24)15-16(23-14(22-15)5-4-6-20-23)11-8-13(19)12(18)7-10(11)3/h4-9H,1-3H3,(H,21,24)
PDB

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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285563
PNG
(3-(3-chlorophenyl)-N-cyclopropylimidazo[1,2-b]pyri...)
Show SMILES Clc1cccc(c1)-c1c(nc2cccnn12)C(=O)NC1CC1
Show InChI InChI=1S/C16H13ClN4O/c17-11-4-1-3-10(9-11)15-14(16(22)19-12-6-7-12)20-13-5-2-8-18-21(13)15/h1-5,8-9,12H,6-7H2,(H,19,22)
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n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3) [50-672]


(Homo sapiens (Human))
BDBM577172
PNG
(10-(4-Chloro-3-fluorophenyl)-8-cyclopropyl-3,4,7,8...)
Show SMILES Fc1cc(ccc1Cl)-c1c2OCCCc2n2CCN(C3CC3)C(=O)c12
PDB

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n/an/a 21.6n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2XW4P16
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285603
PNG
(US10077269, Example 76 | US10669279, Example 76 | ...)
Show SMILES FC(F)Oc1cc(ccn1)-c1c(nc2cccnn12)C(=O)N1CCC1
Show InChI InChI=1S/C16H13F2N5O2/c17-16(18)25-12-9-10(4-6-19-12)14-13(15(24)22-7-2-8-22)21-11-3-1-5-20-23(11)14/h1,3-6,9,16H,2,7-8H2
PDB

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n/an/a 22.2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3) [50-672]


(Homo sapiens (Human))
BDBM577128
PNG
(2-Chloro-5-(8-cyclopropyl-9-oxo-6,7,8,9-tetrahydro...)
Show SMILES Clc1ccc(cc1C#N)-c1c2C(=O)N(CCn2c2cccnc12)C1CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2XW4P16
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285574
PNG
(US10077269, Example 47 | US10669279, Example 47 | ...)
Show SMILES Fc1cc(cc(F)c1Cl)-c1c(nc2cccnn12)C(=O)N1CCC1
Show InChI InChI=1S/C16H11ClF2N4O/c17-13-10(18)7-9(8-11(13)19)15-14(16(24)22-5-2-6-22)21-12-3-1-4-20-23(12)15/h1,3-4,7-8H,2,5-6H2
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n/an/a 23.9n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285557
PNG
(3-(4-chlorophenyl)-N-(2-methylcyclopropyl)imidazo[...)
Show SMILES CC1CC1NC(=O)c1nc2cccnn2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN4O/c1-10-9-13(10)20-17(23)15-16(11-4-6-12(18)7-5-11)22-14(21-15)3-2-8-19-22/h2-8,10,13H,9H2,1H3,(H,20,23)
PDB

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n/an/a 24.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285602
PNG
(N-cyclopropyl-3-[2-(difluoro-methoxy)pyridin-4-yl]...)
Show SMILES FC(F)Oc1cc(ccn1)-c1c(nc2cccnn12)C(=O)NC1CC1
Show InChI InChI=1S/C16H13F2N5O2/c17-16(18)25-12-8-9(5-7-19-12)14-13(15(24)21-10-3-4-10)22-11-2-1-6-20-23(11)14/h1-2,5-8,10,16H,3-4H2,(H,21,24)
PDB

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n/an/a 24.9n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285616
PNG
(US10077269, Example 86 | US10669279, Example 86 | ...)
Show SMILES FC1(F)Oc2ccc(cc2O1)-c1c(nc2cccnn12)C(=O)N1CCC1
Show InChI InChI=1S/C17H12F2N4O3/c18-17(19)25-11-5-4-10(9-12(11)26-17)15-14(16(24)22-7-2-8-22)21-13-3-1-6-20-23(13)15/h1,3-6,9H,2,7-8H2
PDB

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n/an/a 25n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285595
PNG
(3-(4-chloro-2-fluorophenyl)-N-[(1R,2S)-2-fluorocyc...)
Show SMILES F[C@H]1C[C@H]1NC(=O)c1nc2cccnn2c1-c1ccc(Cl)cc1F |r,wU:3.4,1.0,(5.5,-1.78,;4.73,-3.11,;4.73,-4.65,;3.39,-3.88,;1.85,-3.88,;1.08,-2.55,;1.85,-1.21,;-.46,-2.55,;-1.36,-3.79,;-2.83,-3.32,;-4.16,-4.09,;-5.5,-3.32,;-5.5,-1.78,;-4.16,-1.01,;-2.83,-1.78,;-1.36,-1.3,;-.96,.19,;.52,.59,;.92,2.07,;-.17,3.16,;.23,4.65,;-1.66,2.76,;-2.05,1.28,;-3.54,.88,)|
Show InChI InChI=1S/C16H11ClF2N4O/c17-8-3-4-9(10(18)6-8)15-14(16(24)21-12-7-11(12)19)22-13-2-1-5-20-23(13)15/h1-6,11-12H,7H2,(H,21,24)/t11-,12+/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...


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285620
PNG
(3-(4-cyano-3-fluorophenyl)-N-cyclopropylimidazo[1,...)
Show SMILES Fc1cc(ccc1C#N)-c1c(nc2cccnn12)C(=O)NC1CC1
Show InChI InChI=1S/C17H12FN5O/c18-13-8-10(3-4-11(13)9-19)16-15(17(24)21-12-5-6-12)22-14-2-1-7-20-23(14)16/h1-4,7-8,12H,5-6H2,(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...


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285611
PNG
(3-(4-chloro-3-fluorophenyl)-N-ethylimidazo[1,2-b]p...)
Show SMILES CCNC(=O)c1nc2cccnn2c1-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C15H12ClFN4O/c1-2-18-15(22)13-14(9-5-6-10(16)11(17)8-9)21-12(20-13)4-3-7-19-21/h3-8H,2H2,1H3,(H,18,22)
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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...


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285529
PNG
(3-(4-Chlorophenyl)-N-cyclopropylimidazo[1,2-b]pyri...)
Show SMILES Clc1ccc(cc1)-c1c(nc2cccnn12)C(=O)NC1CC1
Show InChI InChI=1S/C16H13ClN4O/c17-11-5-3-10(4-6-11)15-14(16(22)19-12-7-8-12)20-13-2-1-9-18-21(13)15/h1-6,9,12H,7-8H2,(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...


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3) [50-672]


(Homo sapiens (Human))
BDBM577130
PNG
(10-(3-Chloro-4-fluorophenyl)-8-cyclopropyl-7,8-dih...)
Show SMILES Fc1ccc(cc1Cl)-c1c2C(=O)N(CCn2c2cccnc12)C1CC1
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BindingDB Entry DOI: 10.7270/Q2XW4P16
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3) [50-672]


(Homo sapiens (Human))
BDBM577094
PNG
((7S)-10-(4-Chlorophenyl)-8-cyclopropyl-7-methyl-7,...)
Show SMILES C[C@H]1Cn2c(c(-c3ccc(Cl)cc3)c3ncccc23)C(=O)N1C1CC1 |r|
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BindingDB Entry DOI: 10.7270/Q2XW4P16
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3) [50-672]


(Homo sapiens (Human))
BDBM577182
PNG
(10-Cyclopentyl-8-cyclopropyl-7,8-dihydropyrido[2',...)
Show SMILES O=C1N(CCn2c1c(C1CCCC1)c1ncccc21)C1CC1
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BindingDB Entry DOI: 10.7270/Q2XW4P16
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285626
PNG
(3-(4-chloro-2,5-difluoro-phenyl)-N-ethylimidazo[1,...)
Show SMILES CCNC(=O)c1nc2cccnn2c1-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/C15H11ClF2N4O/c1-2-19-15(23)13-14(22-12(21-13)4-3-5-20-22)8-6-11(18)9(16)7-10(8)17/h3-7H,2H2,1H3,(H,19,23)
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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...


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3) [50-672]


(Homo sapiens (Human))
BDBM577174
PNG
(8-Acetyl-10-(4-chlorophenyl)-7,8-dihydropyrido[2',...)
Show SMILES CC(=O)N1CCn2c(c(-c3ccc(Cl)cc3)c3ncccc23)C1=O
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BindingDB Entry DOI: 10.7270/Q2XW4P16
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285534
PNG
(3-(4-Chloro-3-fluorophenyl)-N-(1-methyl-1H-pyrazol...)
Show SMILES Cn1cc(NC(=O)c2nc3cccnn3c2-c2ccc(Cl)c(F)c2)cn1
Show InChI InChI=1S/C17H12ClFN6O/c1-24-9-11(8-21-24)22-17(26)15-16(10-4-5-12(18)13(19)7-10)25-14(23-15)3-2-6-20-25/h2-9H,1H3,(H,22,26)
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US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3) [50-672]


(Homo sapiens (Human))
BDBM577079
PNG
(4-(8-Cyclopropyl-9-oxo-6,7,8,9-tetrahydropyrido[2&...)
Show SMILES Fc1cc(ccc1C#N)-c1c2C(=O)N(CCn2c2cccnc12)C1CC1
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BindingDB Entry DOI: 10.7270/Q2XW4P16
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285562
PNG
(3-(3-chloro-5-fluorophenyl)-N-cyclopropylimidazo[1...)
Show SMILES Fc1cc(Cl)cc(c1)-c1c(nc2cccnn12)C(=O)NC1CC1
Show InChI InChI=1S/C16H12ClFN4O/c17-10-6-9(7-11(18)8-10)15-14(16(23)20-12-3-4-12)21-13-2-1-5-19-22(13)15/h1-2,5-8,12H,3-4H2,(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...


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3) [50-672]


(Homo sapiens (Human))
BDBM577152
PNG
(10-(4-Chlorophenyl)-8-(5-methyl-1,2-oxazol-3-yl)-7...)
Show SMILES Cc1cc(no1)N1CCn2c(c(-c3ccc(Cl)cc3)c3ncccc23)C1=O
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BindingDB Entry DOI: 10.7270/Q2XW4P16
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285573
PNG
(3-(4-chlorophenyl)-N-[(1R,2S)-2-fluorocyclopro-pyl...)
Show SMILES F[C@H]1C[C@H]1NC(=O)c1nc2cccnn2c1-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C16H12ClFN4O/c17-10-5-3-9(4-6-10)15-14(16(23)20-12-8-11(12)18)21-13-2-1-7-19-22(13)15/h1-7,11-12H,8H2,(H,20,23)/t11-,12+/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...


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285613
PNG
(US10077269, Example 83 | US10669279, Example 83 | ...)
Show SMILES Clc1ccc(cc1Cl)-c1c(nc2cccnn12)C(=O)N1CCC1
Show InChI InChI=1S/C16H12Cl2N4O/c17-11-5-4-10(9-12(11)18)15-14(16(23)21-7-2-8-21)20-13-3-1-6-19-22(13)15/h1,3-6,9H,2,7-8H2
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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...


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285536
PNG
(3-(4-Chloro-2,5-difluorophenyl)-N-cyclopropylimida...)
Show SMILES Fc1cc(-c2c(nc3cccnn23)C(=O)NC2CC2)c(F)cc1Cl |(8.76,-6.6,;7.27,-7,;6.88,-8.49,;5.39,-8.89,;4.99,-10.38,;5.89,-11.62,;4.99,-12.87,;3.52,-12.39,;2.19,-13.16,;.86,-12.39,;.86,-10.85,;2.19,-10.08,;3.52,-10.85,;7.44,-11.62,;8.21,-10.29,;8.21,-12.96,;9.75,-12.96,;11.08,-13.73,;11.08,-12.19,;4.3,-7.8,;2.81,-8.2,;4.7,-6.31,;6.19,-5.91,;6.58,-4.43,)|
Show InChI InChI=1S/C16H11ClF2N4O/c17-10-7-11(18)9(6-12(10)19)15-14(16(24)21-8-3-4-8)22-13-2-1-5-20-23(13)15/h1-2,5-8H,3-4H2,(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...


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285622
PNG
(3-(4-cyano-2,5-difluorophenyl)-N-cyclopropylimidaz...)
Show SMILES Fc1cc(-c2c(nc3cccnn23)C(=O)NC2CC2)c(F)cc1C#N |(2.79,1.73,;1.31,1.33,;.91,-.16,;-.58,-.56,;-.98,-2.04,;-.07,-3.29,;-.98,-4.54,;-2.44,-4.06,;-3.78,-4.83,;-5.11,-4.06,;-5.11,-2.52,;-3.78,-1.75,;-2.44,-2.52,;1.47,-3.29,;2.24,-1.96,;2.24,-4.62,;3.78,-4.62,;5.11,-5.39,;5.11,-3.85,;-1.67,.53,;-3.16,.13,;-1.27,2.02,;.21,2.51,;.59,4.01,;.97,5.5,)|
Show InChI InChI=1S/C17H11F2N5O/c18-12-7-11(13(19)6-9(12)8-20)16-15(17(25)22-10-3-4-10)23-14-2-1-5-21-24(14)16/h1-2,5-7,10H,3-4H2,(H,22,25)
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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...


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3) [50-672]


(Homo sapiens (Human))
BDBM577176
PNG
(10-(4-Chlorophenyl)-N-ethyl-9-oxo-6,7-dihydropyrid...)
Show SMILES CCNC(=O)N1CCn2c(c(-c3ccc(Cl)cc3)c3ncccc23)C1=O
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BindingDB Entry DOI: 10.7270/Q2XW4P16
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285612
PNG
(3-(4-chloro-3-fluorophenyl)-N-(1H-pyrazol-4-yl)imi...)
Show SMILES Fc1cc(ccc1Cl)-c1c(nc2cccnn12)C(=O)Nc1cn[nH]c1
Show InChI InChI=1S/C16H10ClFN6O/c17-11-4-3-9(6-12(11)18)15-14(16(25)22-10-7-19-20-8-10)23-13-2-1-5-21-24(13)15/h1-8H,(H,19,20)(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...


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285614
PNG
(US10077269, Example 84 | US10669279, Example 84 | ...)
Show SMILES Clc1cccc(c1)-c1c(nc2cccnn12)C(=O)N1CCC1
Show InChI InChI=1S/C16H13ClN4O/c17-12-5-1-4-11(10-12)15-14(16(22)20-8-3-9-20)19-13-6-2-7-18-21(13)15/h1-2,4-7,10H,3,8-9H2
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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...


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3) [50-672]


(Homo sapiens (Human))
BDBM577101
PNG
(4-(8-Cyclopropyl-9-oxo-3,4,6,7,8,9-hexahydro-2H-py...)
Show SMILES Cc1cc(C#N)c(F)cc1-c1c2OCCCc2n2CCN(C3CC3)C(=O)c12 |(16.64,-5.82,;18.13,-5.42,;18.53,-3.94,;20.03,-3.48,;20.43,-2,;20.83,-.51,;21.1,-4.63,;22.59,-4.23,;20.7,-6.11,;19.22,-6.51,;18.82,-8,;17.35,-8.48,;16.02,-7.71,;14.69,-8.48,;14.69,-10.02,;16.02,-10.79,;17.35,-10.02,;18.82,-10.49,;19.45,-11.9,;20.98,-12.06,;21.88,-10.81,;23.37,-11.21,;24.46,-12.3,;24.86,-10.81,;21.26,-9.41,;22.03,-8.07,;19.72,-9.25,)|
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BindingDB Entry DOI: 10.7270/Q2XW4P16
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285550
PNG
(4-[2-(azetidin-1-ylcarbonyl)imidazo[1,2-b]pyridazi...)
Show SMILES Fc1cc(ccc1C#N)-c1c(nc2cccnn12)C(=O)N1CCC1
Show InChI InChI=1S/C17H12FN5O/c18-13-9-11(4-5-12(13)10-19)16-15(17(24)22-7-2-8-22)21-14-3-1-6-20-23(14)16/h1,3-6,9H,2,7-8H2
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UniChem
US Patent
n/an/a 45.8n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285561
PNG
(3-(3-chloro-5-fluorophenyl)-N-propylimidazo[1,2-b]...)
Show SMILES CCCNC(=O)c1nc2cccnn2c1-c1cc(F)cc(Cl)c1
Show InChI InChI=1S/C16H14ClFN4O/c1-2-5-19-16(23)14-15(10-7-11(17)9-12(18)8-10)22-13(21-14)4-3-6-20-22/h3-4,6-9H,2,5H2,1H3,(H,19,23)
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Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285615
PNG
(3-(4-chlorophenyl)-N-ethylimidazo[1,2-b]pyridazine...)
Show SMILES CCNC(=O)c1nc2cccnn2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H13ClN4O/c1-2-17-15(21)13-14(10-5-7-11(16)8-6-10)20-12(19-13)4-3-9-18-20/h3-9H,2H2,1H3,(H,17,21)
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n/an/a 47.2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285555
PNG
(3-(3,5-dichlorophenyl)-N-propylimidazo[1,2-b]pyrid...)
Show SMILES CCCNC(=O)c1nc2cccnn2c1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C16H14Cl2N4O/c1-2-5-19-16(23)14-15(10-7-11(17)9-12(18)8-10)22-13(21-14)4-3-6-20-22/h3-4,6-9H,2,5H2,1H3,(H,19,23)
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Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285530
PNG
(Azetidin-1-yl[3-(3,5-difluoro-4-methoxyphenyl)imid...)
Show SMILES COc1c(F)cc(cc1F)-c1c(nc2cccnn12)C(=O)N1CCC1
Show InChI InChI=1S/C17H14F2N4O2/c1-25-16-11(18)8-10(9-12(16)19)15-14(17(24)22-6-3-7-22)21-13-4-2-5-20-23(13)15/h2,4-5,8-9H,3,6-7H2,1H3
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n/an/a 51.9n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3) [50-672]


(Homo sapiens (Human))
BDBM577173
PNG
(10-(4-Chloro-2,5-difluorophenyl)-8-cyclopropyl-3,4...)
Show SMILES Fc1cc(-c2c3OCCCc3n3CCN(C4CC4)C(=O)c23)c(F)cc1Cl |(3.02,2.67,;1.51,2.35,;1.04,.89,;-.47,.57,;-.94,-.9,;-2.41,-1.38,;-3.74,-.61,;-5.08,-1.38,;-5.08,-2.92,;-3.74,-3.69,;-2.41,-2.92,;-.94,-3.39,;-.32,-4.8,;1.21,-4.96,;2.12,-3.71,;3.65,-3.87,;4.87,-4.82,;5.08,-3.29,;1.49,-2.31,;2.4,-1.06,;-.04,-2.15,;-1.5,1.71,;-3,1.39,;-1.02,3.17,;.48,3.49,;.96,4.96,)|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2XW4P16
More data for this
Ligand-Target Pair
Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D (hPDE4D3)


(Homo sapiens (Human))
BDBM285612
PNG
(3-(4-chloro-3-fluorophenyl)-N-(1H-pyrazol-4-yl)imi...)
Show SMILES Fc1cc(ccc1Cl)-c1c(nc2cccnn12)C(=O)Nc1cn[nH]c1
Show InChI InChI=1S/C16H10ClFN6O/c17-11-4-3-9(6-12(11)18)15-14(16(25)22-10-7-19-20-8-10)23-13-2-1-5-21-24(13)15/h1-8H,(H,19,20)(H,22,25)
PDB

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n/an/a 56.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


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


US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
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