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Patent code US9688683

Compile Data Set for Download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175773
PNG
(US9688683, 1)
Show SMILES COc1ccc(cc1F)-c1nc(C)c2ccn(-c3ccc(cc3)C(O)=O)c2n1
Show InChI InChI=1S/C21H16FN3O3/c1-12-16-9-10-25(15-6-3-13(4-7-15)21(26)27)20(16)24-19(23-12)14-5-8-18(28-2)17(22)11-14/h3-11H,1-2H3,(H,26,27)
PDB

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n/an/a<1.00E+3n/an/an/an/a7.825



GRÜNENTHAL GMBH

US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175780
PNG
(US9688683, 14 | US9688683, 16)
Show SMILES COc1ccc(cc1Cl)-c1nc(C)c2ccn(-c3ccc(cc3)C(O)=O)c2n1
Show InChI InChI=1S/C21H16ClN3O3/c1-12-16-9-10-25(15-6-3-13(4-7-15)21(26)27)20(16)24-19(23-12)14-5-8-18(28-2)17(22)11-14/h3-11H,1-2H3,(H,26,27)
PDB

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GRÜNENTHAL GMBH

US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175787
PNG
(US9688683, 39)
Show SMILES Cc1nc(nc2N(CCc12)c1ccc(CC(O)=O)cc1)-c1sccc1Cl
Show InChI InChI=1S/C19H16ClN3O2S/c1-11-14-6-8-23(13-4-2-12(3-5-13)10-16(24)25)19(14)22-18(21-11)17-15(20)7-9-26-17/h2-5,7,9H,6,8,10H2,1H3,(H,24,25)
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GRÜNENTHAL GMBH

US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175779
PNG
(US9688683, 12)
Show SMILES COc1ccc(cc1F)-c1nc2N(CC(C)c2c(C)n1)c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C23H22FN3O3/c1-13-12-27(17-7-4-15(5-8-17)10-20(28)29)23-21(13)14(2)25-22(26-23)16-6-9-19(30-3)18(24)11-16/h4-9,11,13H,10,12H2,1-3H3,(H,28,29)
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US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175785
PNG
(US9688683, 26)
Show SMILES Cc1nc(nc2n(ccc12)-c1ccc(cc1)C(O)=O)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H13F2N3O2/c1-11-15-8-9-25(14-5-2-12(3-6-14)20(26)27)19(15)24-18(23-11)13-4-7-16(21)17(22)10-13/h2-10H,1H3,(H,26,27)
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US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175801
PNG
(US9688683, 82)
Show SMILES CCc1nc(nc2n(ccc12)-c1cccc(OC(=O)N(C)C)c1)-c1ccncc1
Show InChI InChI=1S/C22H21N5O2/c1-4-19-18-10-13-27(16-6-5-7-17(14-16)29-22(28)26(2)3)21(18)25-20(24-19)15-8-11-23-12-9-15/h5-14H,4H2,1-3H3
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GRÜNENTHAL GMBH

US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175800
PNG
(US9688683, 81)
Show SMILES CCc1nc(nc2n(ccc12)-c1cccc(OC(=O)N(C)C)c1)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C24H24N4O4S/c1-5-21-20-12-13-28(17-9-7-10-18(15-17)32-24(29)27(2)3)23(20)26-22(25-21)16-8-6-11-19(14-16)33(4,30)31/h6-15H,5H2,1-4H3
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US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175782
PNG
(US9688683, 20)
Show SMILES COc1ccc(cc1Cl)-c1nc2N(CCc2c(C)n1)c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C22H20ClN3O3/c1-13-17-9-10-26(16-6-3-14(4-7-16)11-20(27)28)22(17)25-21(24-13)15-5-8-19(29-2)18(23)12-15/h3-8,12H,9-11H2,1-2H3,(H,27,28)
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US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175780
PNG
(US9688683, 14 | US9688683, 16)
Show SMILES COc1ccc(cc1Cl)-c1nc(C)c2ccn(-c3ccc(cc3)C(O)=O)c2n1
Show InChI InChI=1S/C21H16ClN3O3/c1-12-16-9-10-25(15-6-3-13(4-7-15)21(26)27)20(16)24-19(23-12)14-5-8-18(28-2)17(22)11-14/h3-11H,1-2H3,(H,26,27)
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US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175799
PNG
(US9688683, 80)
Show SMILES CCc1nc(nc2n(ccc12)-c1cccc(OC(=O)N(C)C)c1)-c1cccnc1OC
Show InChI InChI=1S/C23H23N5O3/c1-5-19-17-11-13-28(15-8-6-9-16(14-15)31-23(29)27(2)3)21(17)26-20(25-19)18-10-7-12-24-22(18)30-4/h6-14H,5H2,1-4H3
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US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175802
PNG
(US9688683, 83)
Show SMILES CCc1nc(nc2n(ccc12)-c1cccc(OC(=O)N(C)C)c1)-c1cccnc1
Show InChI InChI=1S/C22H21N5O2/c1-4-19-18-10-12-27(16-8-5-9-17(13-16)29-22(28)26(2)3)21(18)25-20(24-19)15-7-6-11-23-14-15/h5-14H,4H2,1-3H3
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GRÜNENTHAL GMBH

US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175783
PNG
(US9688683, 21)
Show SMILES CCc1nc(nc2N(CCc12)c1ccc(CC(O)=O)cc1)-c1ccc(OC)c(Cl)c1
Show InChI InChI=1S/C23H22ClN3O3/c1-3-19-17-10-11-27(16-7-4-14(5-8-16)12-21(28)29)23(17)26-22(25-19)15-6-9-20(30-2)18(24)13-15/h4-9,13H,3,10-12H2,1-2H3,(H,28,29)
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US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175786
PNG
(US9688683, 38)
Show SMILES Cc1nc(nc2n(ccc12)-c1ccc(cc1)C(O)=O)-c1sccc1Cl
Show InChI InChI=1S/C18H12ClN3O2S/c1-10-13-6-8-22(12-4-2-11(3-5-12)18(23)24)17(13)21-16(20-10)15-14(19)7-9-25-15/h2-9H,1H3,(H,23,24)
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US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175788
PNG
(US9688683, 40)
Show SMILES CCc1nc(nc2N(CCc12)c1cccc(OC(=O)N(C)C)c1)-c1sccc1Cl
Show InChI InChI=1S/C21H21ClN4O2S/c1-4-17-15-8-10-26(13-6-5-7-14(12-13)28-21(27)25(2)3)20(15)24-19(23-17)18-16(22)9-11-29-18/h5-7,9,11-12H,4,8,10H2,1-3H3
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US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175784
PNG
(US9688683, 24)
Show SMILES COc1ccc(cc1Cl)-c1nc2N(CC(C)c2c(C)n1)c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C23H22ClN3O3/c1-13-12-27(17-7-4-15(5-8-17)10-20(28)29)23-21(13)14(2)25-22(26-23)16-6-9-19(30-3)18(24)11-16/h4-9,11,13H,10,12H2,1-3H3,(H,28,29)
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US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175776
PNG
(US9688683, 7)
Show SMILES COc1ccc(cc1F)-c1nc2N(CCc2c(C)n1)c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C22H20FN3O3/c1-13-17-9-10-26(16-6-3-14(4-7-16)11-20(27)28)22(17)25-21(24-13)15-5-8-19(29-2)18(23)12-15/h3-8,12H,9-11H2,1-2H3,(H,27,28)
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US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175777
PNG
(US9688683, 8)
Show SMILES CCc1nc(nc2N(CCc12)c1ccc(CC(O)=O)cc1)-c1ccc(OC)c(F)c1
Show InChI InChI=1S/C23H22FN3O3/c1-3-19-17-10-11-27(16-7-4-14(5-8-16)12-21(28)29)23(17)26-22(25-19)15-6-9-20(30-2)18(24)13-15/h4-9,13H,3,10-12H2,1-2H3,(H,28,29)
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Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175774
PNG
(US9688683, 2)
Show SMILES CCc1nc(nc2n(ccc12)-c1ccc(cc1)C(O)=O)-c1ccc(OC)c(F)c1
Show InChI InChI=1S/C22H18FN3O3/c1-3-18-16-10-11-26(15-7-4-13(5-8-15)22(27)28)21(16)25-20(24-18)14-6-9-19(29-2)17(23)12-14/h4-12H,3H2,1-2H3,(H,27,28)
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US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175775
PNG
(US9688683, 4)
Show SMILES COc1ccc(cc1F)-c1nc(C)c2ccn(-c3ccc(CC(O)=O)cc3)c2n1
Show InChI InChI=1S/C22H18FN3O3/c1-13-17-9-10-26(16-6-3-14(4-7-16)11-20(27)28)22(17)25-21(24-13)15-5-8-19(29-2)18(23)12-15/h3-10,12H,11H2,1-2H3,(H,27,28)
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US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175778
PNG
(US9688683, 9)
Show SMILES CCc1nc(nc2N(CCc12)c1cccc(OC(=O)N(C)C)c1)-c1ccc(OC)c(F)c1
Show InChI InChI=1S/C24H25FN4O3/c1-5-20-18-11-12-29(16-7-6-8-17(14-16)32-24(30)28(2)3)23(18)27-22(26-20)15-9-10-21(31-4)19(25)13-15/h6-10,13-14H,5,11-12H2,1-4H3
PDB

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US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175790
PNG
(US9688683, 46)
Show SMILES CCc1nc(nc2N(CCc12)c1ccc(cc1)C(O)=O)-c1sccc1Cl
Show InChI InChI=1S/C19H16ClN3O2S/c1-2-15-13-7-9-23(12-5-3-11(4-6-12)19(24)25)18(13)22-17(21-15)16-14(20)8-10-26-16/h3-6,8,10H,2,7,9H2,1H3,(H,24,25)
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n/an/a<1.00E+3n/an/an/an/a7.825



GRÜNENTHAL GMBH

US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175796
PNG
(US9688683, 77)
Show SMILES CCc1nc(nc2n(ccc12)-c1cccc(OC(=O)N(C)C)c1)-c1cnccc1OC
Show InChI InChI=1S/C23H23N5O3/c1-5-19-17-10-12-28(15-7-6-8-16(13-15)31-23(29)27(2)3)22(17)26-21(25-19)18-14-24-11-9-20(18)30-4/h6-14H,5H2,1-4H3
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GRÜNENTHAL GMBH

US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175803
PNG
(US9688683, 6)
Show SMILES CCc1nc(nc2N(CCc12)c1ccc(cc1)C(O)=O)-c1ccc(OC)c(F)c1
Show InChI InChI=1S/C22H20FN3O3/c1-3-18-16-10-11-26(15-7-4-13(5-8-15)22(27)28)21(16)25-20(24-18)14-6-9-19(29-2)17(23)12-14/h4-9,12H,3,10-11H2,1-2H3,(H,27,28)
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GRÜNENTHAL GMBH

US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175798
PNG
(US9688683, 79)
Show SMILES COc1ccc(cc1F)-c1nc2N(CC3(CC3)c2c(C)n1)c1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C25H25FN4O3/c1-15-21-23(28-22(27-15)16-8-9-20(32-4)19(26)12-16)30(14-25(21)10-11-25)17-6-5-7-18(13-17)33-24(31)29(2)3/h5-9,12-13H,10-11,14H2,1-4H3
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GRÜNENTHAL GMBH

US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175795
PNG
(US9688683, 76)
Show SMILES COc1ccc(cc1F)-c1nc(C2CC2)c2ccn(-c3cccc(OC(=O)N(C)C)c3)c2n1
Show InChI InChI=1S/C25H23FN4O3/c1-29(2)25(31)33-18-6-4-5-17(14-18)30-12-11-19-22(15-7-8-15)27-23(28-24(19)30)16-9-10-21(32-3)20(26)13-16/h4-6,9-15H,7-8H2,1-3H3
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GRÜNENTHAL GMBH

US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175794
PNG
(US9688683, 69)
Show SMILES COc1ccc(cc1F)-c1nc(SC)c2ccn(-c3ccc(CC(O)=O)cc3)c2n1
Show InChI InChI=1S/C22H18FN3O3S/c1-29-18-8-5-14(12-17(18)23)20-24-21-16(22(25-20)30-2)9-10-26(21)15-6-3-13(4-7-15)11-19(27)28/h3-10,12H,11H2,1-2H3,(H,27,28)
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GRÜNENTHAL GMBH

US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175789
PNG
(US9688683, 45)
Show SMILES COc1ccc(cc1Cl)-c1nc(OC)c2ccn(-c3ccc(cc3)C(O)=O)c2n1
Show InChI InChI=1S/C21H16ClN3O4/c1-28-17-8-5-13(11-16(17)22)18-23-19-15(20(24-18)29-2)9-10-25(19)14-6-3-12(4-7-14)21(26)27/h3-11H,1-2H3,(H,26,27)
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GRÜNENTHAL GMBH

US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175792
PNG
(US9688683, 50)
Show SMILES COc1ccc(cc1F)-c1nc(c2ccn(-c3cccc(OC(=O)N(C)C)c3)c2n1)S(C)(=O)=O
Show InChI InChI=1S/C23H21FN4O5S/c1-27(2)23(29)33-16-7-5-6-15(13-16)28-11-10-17-21(28)25-20(26-22(17)34(4,30)31)14-8-9-19(32-3)18(24)12-14/h5-13H,1-4H3
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GRÜNENTHAL GMBH

US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175793
PNG
(US9688683, 51)
Show SMILES CCc1nc(nc2N(CCc12)c1cccc(OC(=O)NCC2CC2)c1)-c1ccc(OC)c(F)c1
Show InChI InChI=1S/C26H27FN4O3/c1-3-22-20-11-12-31(18-5-4-6-19(14-18)34-26(32)28-15-16-7-8-16)25(20)30-24(29-22)17-9-10-23(33-2)21(27)13-17/h4-6,9-10,13-14,16H,3,7-8,11-12,15H2,1-2H3,(H,28,32)
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GRÜNENTHAL GMBH

US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175791
PNG
(US9688683, 47)
Show SMILES CCc1nc(nc2N(CCc12)c1cccc(OC(=O)NC2COC2)c1)-c1ccc(OC)c(F)c1
Show InChI InChI=1S/C25H25FN4O4/c1-3-21-19-9-10-30(17-5-4-6-18(12-17)34-25(31)27-16-13-33-14-16)24(19)29-23(28-21)15-7-8-22(32-2)20(26)11-15/h4-8,11-12,16H,3,9-10,13-14H2,1-2H3,(H,27,31)
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GRÜNENTHAL GMBH

US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM175797
PNG
(US9688683, 78)
Show SMILES COc1ccc(cc1F)-c1ncc2c(n1)N(CC21CC1)c1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C24H23FN4O3/c1-28(2)23(30)32-17-6-4-5-16(12-17)29-14-24(9-10-24)18-13-26-21(27-22(18)29)15-7-8-20(31-3)19(25)11-15/h4-8,11-13H,9-10,14H2,1-3H3
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GRÜNENTHAL GMBH

US Patent


Assay Description
The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM Mg...

US Patent US9688683 (2017)


BindingDB Entry DOI: 10.7270/Q2J38QP9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%