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Patent code US9598421

Compile Data Set for Download or QSAR

Found 372 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
Phosphodiesterase 4A (PDE4)


(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)
PDB
MMDB

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PC sid
UniChem
US Patent
n/an/a<0.488n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(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
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
PDB
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US Patent
n/an/a<0.669n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(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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US Patent
n/an/a 1.51n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(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)
PDB

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US Patent
n/an/a 1.59n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285538
PNG
(N-cyclopropyl-3-(3,4-di-chlorophenyl)imidazo[1,2-b...)
Show SMILES Clc1ccc(cc1Cl)-c1c(nc2cccnn12)C(=O)NC1CC1
Show InChI InChI=1S/C16H12Cl2N4O/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)
PDB

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UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(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)
PDB

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US Patent
n/an/a<1.89n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(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
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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US Patent
n/an/a 1.97n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4C


(Homo sapiens)
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
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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Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4C


(Homo sapiens)
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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Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(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 2.77n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(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
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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US Patent
n/an/a 2.82n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(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
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 2.91n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(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 3.13n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(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 3.48n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(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)
PDB

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PC sid
UniChem
US Patent
n/an/a 3.80n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(Homo sapiens (human))
BDBM285536
PNG
(3-(4-Chloro-2,5-difluorophenyl)-N-cyclopropylimida...)
Show SMILES Fc1cc(-c2c(nc3cccnn23)C(=O)NC2CC2)c(F)cc1Cl
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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n/an/a 3.83n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285574
PNG
(US10077269, Example 47 | US9598421, Example 47 | a...)
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
PDB

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US Patent
n/an/a 3.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285571
PNG
(3-(4-chloro-3-fluorophenyl)-N-(2,2-difluorocyclopr...)
Show SMILES Fc1cc(ccc1Cl)-c1c(nc2cccnn12)C(=O)NC1CC1(F)F
Show InChI InChI=1S/C16H10ClF3N4O/c17-9-4-3-8(6-10(9)18)14-13(15(25)22-11-7-16(11,19)20)23-12-2-1-5-21-24(12)14/h1-6,11H,7H2,(H,22,25)
PDB

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n/an/a 3.92n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(Homo sapiens (human))
BDBM285576
PNG
(US10077269, Example 49 | US9598421, Example 49 | a...)
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 4.16n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(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
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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n/an/a 4.58n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285540
PNG
(US10077269, Example 13 | US9598421, Example 13 | a...)
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 4.63n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4C


(Homo sapiens)
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




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(Homo sapiens (human))
BDBM285551
PNG
(4-[2-(azetidin-1-ylcarbonyl)imidazo[1,2-b]pyridazi...)
Show SMILES Fc1cc(-c2c(nc3cccnn23)C(=O)N2CCC2)c(F)cc1C#N
Show InChI InChI=1S/C17H11F2N5O/c18-12-8-11(13(19)7-10(12)9-20)16-15(17(25)23-5-2-6-23)22-14-3-1-4-21-24(14)16/h1,3-4,7-8H,2,5-6H2
PDB
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n/an/a 5.04n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(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 5.05n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(Homo sapiens (human))
BDBM285540
PNG
(US10077269, Example 13 | US9598421, Example 13 | a...)
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
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n/an/a 5.13n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(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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n/an/a 5.14n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285613
PNG
(US10077269, Example 83 | US9598421, Example 83 | a...)
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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n/an/a 5.39n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285603
PNG
(US10077269, Example 76 | US9598421, Example 76 | a...)
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
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n/an/a 5.43n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(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
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)
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n/an/a 5.48n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(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
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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n/an/a 5.52n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285547
PNG
(4-[2-(azetidin-1-ylcarbonyl)imidazo[1,2-b]pyridazi...)
Show SMILES Cc1cc(C#N)c(F)cc1-c1c(nc2cccnn12)C(=O)N1CCC1
Show InChI InChI=1S/C18H14FN5O/c1-11-8-12(10-20)14(19)9-13(11)17-16(18(25)23-6-3-7-23)22-15-4-2-5-21-24(15)17/h2,4-5,8-9H,3,6-7H2,1H3
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n/an/a 5.74n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(Homo sapiens (human))
BDBM285616
PNG
(US10077269, Example 86 | US9598421, Example 86 | a...)
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
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n/an/a 5.83n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(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)
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n/an/a 5.99n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(Homo sapiens (human))
BDBM285613
PNG
(US10077269, Example 83 | US9598421, Example 83 | a...)
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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n/an/a 6.21n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(Homo sapiens (human))
BDBM285547
PNG
(4-[2-(azetidin-1-ylcarbonyl)imidazo[1,2-b]pyridazi...)
Show SMILES Cc1cc(C#N)c(F)cc1-c1c(nc2cccnn12)C(=O)N1CCC1
Show InChI InChI=1S/C18H14FN5O/c1-11-8-12(10-20)14(19)9-13(11)17-16(18(25)23-6-3-7-23)22-15-4-2-5-21-24(15)17/h2,4-5,8-9H,3,6-7H2,1H3
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n/an/a 6.70n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4C


(Homo sapiens)
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)
PDB
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n/an/a 6.84n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(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 6.99n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(Homo sapiens (human))
BDBM285603
PNG
(US10077269, Example 76 | US9598421, Example 76 | a...)
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
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n/an/a 7.09n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(Homo sapiens (human))
BDBM285574
PNG
(US10077269, Example 47 | US9598421, Example 47 | a...)
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 7.37n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285616
PNG
(US10077269, Example 86 | US9598421, Example 86 | a...)
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
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n/an/a 7.72n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285614
PNG
(US10077269, Example 84 | US9598421, Example 84 | a...)
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
PDB

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n/an/a 7.84n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(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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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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(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)
PDB

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n/an/a 8.05n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(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)
PDB

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n/an/a 9.34n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(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)
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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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285536
PNG
(3-(4-Chloro-2,5-difluorophenyl)-N-cyclopropylimida...)
Show SMILES Fc1cc(-c2c(nc3cccnn23)C(=O)NC2CC2)c(F)cc1Cl
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)
PDB

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n/an/a 10.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(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
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
PDB
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n/an/a 10.6n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.7n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11.6n/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 US9598421 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4C


(Homo sapiens)
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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11.7n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%