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Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'sørensen' and Initial = 'md'   
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 4A


(Homo sapiens (Human))
BDBM130938
PNG
(US8829190, 116)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CC1)C(=O)NC1CCCC1
Show InChI InChI=1S/C23H23Cl2N5O3/c1-33-19-7-6-17(18(31)10-14-15(24)11-26-12-16(14)25)30-20(19)28-21(29-30)23(8-9-23)22(32)27-13-4-2-3-5-13/h6-7,11-13H,2-5,8-10H2,1H3,(H,27,32)
PDB
MMDB

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n/an/a 0.100n/an/an/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130937
PNG
(US8829190, 115)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CC1)C(=O)NCC(C)(C)C
Show InChI InChI=1S/C23H25Cl2N5O3/c1-22(2,3)12-27-21(32)23(7-8-23)20-28-19-18(33-4)6-5-16(30(19)29-20)17(31)9-13-14(24)10-26-11-15(13)25/h5-6,10-11H,7-9,12H2,1-4H3,(H,27,32)
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130939
PNG
(US8829190, 117)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CC1)C(=O)NC(C)C
Show InChI InChI=1S/C21H21Cl2N5O3/c1-11(2)25-20(30)21(6-7-21)19-26-18-17(31-3)5-4-15(28(18)27-19)16(29)8-12-13(22)9-24-10-14(12)23/h4-5,9-11H,6-8H2,1-3H3,(H,25,30)
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130933
PNG
(US8829190, 111)
Show SMILES CCCNC(=O)C1(CC1)c1nc2c(OC)ccc(C(=O)Cc3c(Cl)cncc3Cl)n2n1
Show InChI InChI=1S/C21H21Cl2N5O3/c1-3-8-25-20(30)21(6-7-21)19-26-18-17(31-2)5-4-15(28(18)27-19)16(29)9-12-13(22)10-24-11-14(12)23/h4-5,10-11H,3,6-9H2,1-2H3,(H,25,30)
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130936
PNG
(US8829190, 114)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CC1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C24H20Cl2N6O3/c1-35-20-3-2-18(19(33)10-15-16(25)12-28-13-17(15)26)32-21(20)30-22(31-32)24(6-7-24)23(34)29-11-14-4-8-27-9-5-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,29,34)
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130932
PNG
(US8829190, 110)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H21Cl2N5O3/c1-35-21-8-7-19(20(33)11-16-17(26)13-28-14-18(16)27)32-22(21)30-23(31-32)25(9-10-25)24(34)29-12-15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,29,34)
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130935
PNG
(US8829190, 113)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CC1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C24H20Cl2N6O3/c1-35-20-5-4-18(19(33)9-15-16(25)12-28-13-17(15)26)32-21(20)30-22(31-32)24(6-7-24)23(34)29-11-14-3-2-8-27-10-14/h2-5,8,10,12-13H,6-7,9,11H2,1H3,(H,29,34)
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130934
PNG
(US8829190, 112)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CC1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C24H20Cl2N6O3/c1-35-20-6-5-18(19(33)10-15-16(25)12-27-13-17(15)26)32-21(20)30-22(31-32)24(7-8-24)23(34)29-11-14-4-2-3-9-28-14/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,29,34)
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130923
PNG
(US8829190, 101)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1CC1
Show InChI InChI=1S/C17H14Cl2N4O2/c1-25-15-5-4-13(23-17(15)21-16(22-23)9-2-3-9)14(24)6-10-11(18)7-20-8-12(10)19/h4-5,7-9H,2-3,6H2,1H3
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130950
PNG
(US8829190, 128)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)c[n+]([O-])cc2Cl)n2nc(nc12)C1CC1
Show InChI InChI=1S/C17H14Cl2N4O3/c1-26-15-5-4-13(23-17(15)20-16(21-23)9-2-3-9)14(24)6-10-11(18)7-22(25)8-12(10)19/h4-5,7-9H,2-3,6H2,1H3
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130940
PNG
(US8829190, 118)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CC1)C(N)=O
Show InChI InChI=1S/C18H15Cl2N5O3/c1-28-14-3-2-12(13(26)6-9-10(19)7-22-8-11(9)20)25-15(14)23-17(24-25)18(4-5-18)16(21)27/h2-3,7-8H,4-6H2,1H3,(H2,21,27)
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136890
PNG
(CHEMBL152208 | [2-Chloro-4-(4-fluoro-2-methyl-phen...)
Show SMILES Cc1ccccc1C(=O)c1ccc(Nc2ccc(F)cc2C)cc1Cl
Show InChI InChI=1S/C21H17ClFNO/c1-13-5-3-4-6-17(13)21(25)18-9-8-16(12-19(18)22)24-20-10-7-15(23)11-14(20)2/h3-12,24H,1-2H3
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130928
PNG
(US8829190, 106)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CO)CC1
Show InChI InChI=1S/C18H16Cl2N4O3/c1-27-15-3-2-13(14(26)6-10-11(19)7-21-8-12(10)20)24-16(15)22-17(23-24)18(9-25)4-5-18/h2-3,7-8,25H,4-6,9H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136887
PNG
(CHEMBL356455 | [4-(2-Amino-phenylamino)-2-chloro-p...)
Show SMILES COc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1Cl
Show InChI InChI=1S/C20H17ClN2O2/c1-25-19-9-5-2-6-15(19)20(24)14-11-10-13(12-16(14)21)23-18-8-4-3-7-17(18)22/h2-12,23H,22H2,1H3
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130925
PNG
(US8829190, 103)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)-c1ccco1
Show InChI InChI=1S/C18H12Cl2N4O3/c1-26-16-5-4-13(14(25)7-10-11(19)8-21-9-12(10)20)24-18(16)22-17(23-24)15-3-2-6-27-15/h2-6,8-9H,7H2,1H3
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136897
PNG
((2-Chloro-4-phenylamino-phenyl)-o-tolyl-methanone ...)
Show SMILES Cc1ccccc1C(=O)c1ccc(Nc2ccccc2)cc1Cl
Show InChI InChI=1S/C20H16ClNO/c1-14-7-5-6-10-17(14)20(23)18-12-11-16(13-19(18)21)22-15-8-3-2-4-9-15/h2-13,22H,1H3
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130941
PNG
(US8829190, 119)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CNCc2ccccc2)CC1
Show InChI InChI=1S/C25H23Cl2N5O2/c1-34-22-8-7-20(21(33)11-17-18(26)13-28-14-19(17)27)32-23(22)30-24(31-32)25(9-10-25)15-29-12-16-5-3-2-4-6-16/h2-8,13-14,29H,9-12,15H2,1H3
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136886
PNG
(CHEMBL152767 | [4-(2-Amino-phenylamino)-2-chloro-p...)
Show SMILES Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1Cl
Show InChI InChI=1S/C20H17ClN2O/c1-13-6-2-3-7-15(13)20(24)16-11-10-14(12-17(16)21)23-19-9-5-4-8-18(19)22/h2-12,23H,22H2,1H3
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136884
PNG
((2-Chloro-4-o-tolylamino-phenyl)-o-tolyl-methanone...)
Show SMILES Cc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1
Show InChI InChI=1S/C21H18ClNO/c1-14-7-3-5-9-17(14)21(24)18-12-11-16(13-19(18)22)23-20-10-6-4-8-15(20)2/h3-13,23H,1-2H3
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136898
PNG
(CHEMBL152820 | [4-(2-Amino-phenylamino)-2-methyl-p...)
Show SMILES Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1C
Show InChI InChI=1S/C21H20N2O/c1-14-7-3-4-8-17(14)21(24)18-12-11-16(13-15(18)2)23-20-10-6-5-9-19(20)22/h3-13,23H,22H2,1-2H3
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136900
PNG
(1-{2-[3-Chloro-4-(2-methyl-benzoyl)-phenylamino]-p...)
Show SMILES CCNC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1
Show InChI InChI=1S/C23H22ClN3O2/c1-3-25-23(29)27-21-11-7-6-10-20(21)26-16-12-13-18(19(24)14-16)22(28)17-9-5-4-8-15(17)2/h4-14,26H,3H2,1-2H3,(H2,25,27,29)
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130931
PNG
(US8829190, 109)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C22H21Cl2N5O4/c1-32-18-3-2-16(17(30)10-13-14(23)11-25-12-15(13)24)29-19(18)26-20(27-29)22(4-5-22)21(31)28-6-8-33-9-7-28/h2-3,11-12H,4-10H2,1H3
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130926
PNG
(US8829190, 104)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(COCc3ccccc3)nc12
Show InChI InChI=1S/C22H18Cl2N4O3/c1-30-20-8-7-18(19(29)9-15-16(23)10-25-11-17(15)24)28-22(20)26-21(27-28)13-31-12-14-5-3-2-4-6-14/h2-8,10-11H,9,12-13H2,1H3
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136903
PNG
(CHEMBL357732 | [4-(2-Amino-phenylamino)-phenyl]-o-...)
Show SMILES Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1
Show InChI InChI=1S/C20H18N2O/c1-14-6-2-3-7-17(14)20(23)15-10-12-16(13-11-15)22-19-9-5-4-8-18(19)21/h2-13,22H,21H2,1H3
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15244
PNG
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50099331
PNG
(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccncc1
Show InChI InChI=1S/C19H19FN4/c20-16-3-1-14(2-4-16)18-19(15-5-9-21-10-6-15)24(13-23-18)17-7-11-22-12-8-17/h1-6,9-10,13,17,22H,7-8,11-12H2
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136885
PNG
(CHEMBL347496 | [4-(2-Amino-4-bromo-phenylamino)-2-...)
Show SMILES Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2N)cc1Cl
Show InChI InChI=1S/C20H16BrClN2O/c1-12-4-2-3-5-15(12)20(25)16-8-7-14(11-17(16)22)24-19-9-6-13(21)10-18(19)23/h2-11,24H,23H2,1H3
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136888
PNG
(CHEMBL153012 | {2-[3-Chloro-4-(2-methyl-benzoyl)-p...)
Show SMILES CCOC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1
Show InChI InChI=1S/C23H21ClN2O3/c1-3-29-23(28)26-21-11-7-6-10-20(21)25-16-12-13-18(19(24)14-16)22(27)17-9-5-4-8-15(17)2/h4-14,25H,3H2,1-2H3,(H,26,28)
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130929
PNG
(US8829190, 107)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C)nc12
Show InChI InChI=1S/C15H12Cl2N4O2/c1-8-19-15-14(23-2)4-3-12(21(15)20-8)13(22)5-9-10(16)6-18-7-11(9)17/h3-4,6-7H,5H2,1-2H3
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130949
PNG
(US8829190, 127)
Show SMILES COc1ccc(C(=O)Cc2ccccc2Cl)n2nc(nc12)C1CC1
Show InChI InChI=1S/C18H16ClN3O2/c1-24-16-9-8-14(15(23)10-12-4-2-3-5-13(12)19)22-18(16)20-17(21-22)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130946
PNG
(US8829190, 124)
Show SMILES COc1ccc(C(=O)Cc2ccncc2Br)n2nc(nc12)C1(CO)CC1
Show InChI InChI=1S/C18H17BrN4O3/c1-26-15-3-2-13(14(25)8-11-4-7-20-9-12(11)19)23-16(15)21-17(22-23)18(10-24)5-6-18/h2-4,7,9,24H,5-6,8,10H2,1H3
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136899
PNG
(CHEMBL152440 | [4-(2-Amino-phenylamino)-phenyl]-(2...)
Show SMILES Nc1ccccc1Nc1ccc(cc1)C(=O)c1ccccc1Br
Show InChI InChI=1S/C19H15BrN2O/c20-16-6-2-1-5-15(16)19(23)13-9-11-14(12-10-13)22-18-8-4-3-7-17(18)21/h1-12,22H,21H2
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130930
PNG
(US8829190, 108)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CC1)C(O)=O
Show InChI InChI=1S/C18H14Cl2N4O4/c1-28-14-3-2-12(13(25)6-9-10(19)7-21-8-11(9)20)24-15(14)22-16(23-24)18(4-5-18)17(26)27/h2-3,7-8H,4-6H2,1H3,(H,26,27)
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136901
PNG
(CHEMBL422510 | N-{2-[3-Chloro-4-(2-methyl-benzoyl)...)
Show SMILES CC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1
Show InChI InChI=1S/C22H19ClN2O2/c1-14-7-3-4-8-17(14)22(27)18-12-11-16(13-19(18)23)25-21-10-6-5-9-20(21)24-15(2)26/h3-13,25H,1-2H3,(H,24,26)
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130945
PNG
(US8829190, 123)
Show SMILES COc1ccc(C(=O)Cc2c(Br)cncc2Br)n2nc(nc12)C1(CO)CC1
Show InChI InChI=1S/C18H16Br2N4O3/c1-27-15-3-2-13(14(26)6-10-11(19)7-21-8-12(10)20)24-16(15)22-17(23-24)18(9-25)4-5-18/h2-3,7-8,25H,4-6,9H2,1H3
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136895
PNG
(CHEMBL347770 | {4-[(2-Amino-phenyl)-methyl-amino]-...)
Show SMILES CN(c1ccc(C(=O)c2ccccc2C)c(Cl)c1)c1ccccc1N
Show InChI InChI=1S/C21H19ClN2O/c1-14-7-3-4-8-16(14)21(25)17-12-11-15(13-18(17)22)24(2)20-10-6-5-9-19(20)23/h3-13H,23H2,1-2H3
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130924
PNG
(US8829190, 102)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2ncnc12
Show InChI InChI=1S/C14H10Cl2N4O2/c1-22-13-3-2-11(20-14(13)18-7-19-20)12(21)4-8-9(15)5-17-6-10(8)16/h2-3,5-7H,4H2,1H3
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Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136902
PNG
(CHEMBL155448 | [4-(2-Amino-phenylamino)-2-chloro-p...)
Show SMILES Nc1ccccc1Nc1ccc(C(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C19H15ClN2O/c20-16-12-14(22-18-9-5-4-8-17(18)21)10-11-15(16)19(23)13-6-2-1-3-7-13/h1-12,22H,21H2
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136896
PNG
(CHEMBL356157 | [4-(2-Amino-phenylamino)-3-methyl-p...)
Show SMILES Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)c(C)c1
Show InChI InChI=1S/C21H20N2O/c1-14-7-3-4-8-17(14)21(24)16-11-12-19(15(2)13-16)23-20-10-6-5-9-18(20)22/h3-13,23H,22H2,1-2H3
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136882
PNG
(CHEMBL152596 | [4-(2-Amino-phenylamino)-phenyl]-ph...)
Show SMILES Nc1ccccc1Nc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-8-4-5-9-18(17)21-16-12-10-15(11-13-16)19(22)14-6-2-1-3-7-14/h1-13,21H,20H2
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LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136891
PNG
(CHEMBL152349 | Phenyl-(4-phenylamino-phenyl)-metha...)
Show SMILES O=C(c1ccccc1)c1ccc(Nc2ccccc2)cc1
Show InChI InChI=1S/C19H15NO/c21-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)20-17-9-5-2-6-10-17/h1-14,20H
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n/an/a 193n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130944
PNG
(US8829190, 122)
Show SMILES COc1ccc(C(=O)Cc2ccncc2)n2nc(nc12)C1(CO)CC1
Show InChI InChI=1S/C18H18N4O3/c1-25-15-3-2-13(14(24)10-12-4-8-19-9-5-12)22-16(15)20-17(21-22)18(11-23)6-7-18/h2-5,8-9,23H,6-7,10-11H2,1H3
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n/an/a 261n/an/an/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130927
PNG
(US8829190, 105)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(CO)nc12
Show InChI InChI=1S/C15H12Cl2N4O3/c1-24-13-3-2-11(21-15(13)19-14(7-22)20-21)12(23)4-8-9(16)5-18-6-10(8)17/h2-3,5-6,22H,4,7H2,1H3
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n/an/a 305n/an/an/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136883
PNG
(CHEMBL347576 | [2-Chloro-4-(2-nitro-phenylamino)-p...)
Show SMILES Cc1ccccc1C(=O)c1ccc(Nc2ccccc2[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C20H15ClN2O3/c1-13-6-2-3-7-15(13)20(24)16-11-10-14(12-17(16)21)22-18-8-4-5-9-19(18)23(25)26/h2-12,22H,1H3
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n/an/a 437n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130948
PNG
(US8829190, 126)
Show SMILES COc1ccc(C(=O)Cc2nccnc2Cl)n2nc(nc12)C1(CO)CC1
Show InChI InChI=1S/C17H16ClN5O3/c1-26-13-3-2-11(12(25)8-10-14(18)20-7-6-19-10)23-15(13)21-16(22-23)17(9-24)4-5-17/h2-3,6-7,24H,4-5,8-9H2,1H3
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n/an/a 548n/an/an/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136893
PNG
(CHEMBL152209 | [4-(2-Amino-phenylamino)-phenyl]-m-...)
Show SMILES Cc1cccc(c1)C(=O)c1ccc(Nc2ccccc2N)cc1
Show InChI InChI=1S/C20H18N2O/c1-14-5-4-6-16(13-14)20(23)15-9-11-17(12-10-15)22-19-8-3-2-7-18(19)21/h2-13,22H,21H2,1H3
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n/an/a 574n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136892
PNG
(CHEMBL356809 | [4-(2-Amino-phenylamino)-phenyl]-bi...)
Show SMILES Nc1ccccc1Nc1ccc(cc1)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C25H20N2O/c26-23-12-6-7-13-24(23)27-20-16-14-19(15-17-20)25(28)22-11-5-4-10-21(22)18-8-2-1-3-9-18/h1-17,27H,26H2
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n/an/a 811n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50136889
PNG
(CHEMBL152403 | N-[3-Chloro-4-(1-o-tolyl-vinyl)-phe...)
Show SMILES Cc1ccccc1C(=C)c1ccc(Nc2ccccc2N)cc1Cl
Show InChI InChI=1S/C21H19ClN2/c1-14-7-3-4-8-17(14)15(2)18-12-11-16(13-19(18)22)24-21-10-6-5-9-20(21)23/h3-13,24H,2,23H2,1H3
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n/an/a 1.55E+3n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130942
PNG
(US8829190, 120)
Show SMILES COc1ccc(C(=O)Cc2cnccn2)n2nc(nc12)C1(CO)CC1
Show InChI InChI=1S/C17H17N5O3/c1-25-14-3-2-12(13(24)8-11-9-18-6-7-19-11)22-15(14)20-16(21-22)17(10-23)4-5-17/h2-3,6-7,9,23H,4-5,8,10H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM130947
PNG
(US8829190, 125)
Show SMILES COc1ccc(C(=O)Cc2ccnc(c2)C#N)n2nc(nc12)C1(CO)CC1
Show InChI InChI=1S/C19H17N5O3/c1-27-16-3-2-14(15(26)9-12-4-7-21-13(8-12)10-20)24-17(16)22-18(23-24)19(11-25)5-6-19/h2-4,7-8,25H,5-6,9,11H2,1H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
More data for this
Ligand-Target Pair
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