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PubMed code 29502405

Compile data set for download or QSAR
Found 57 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))		BDBM50256195
PNG
(CHEMBL4095320)
Show SMILES [O-][n+]1cccc2c(Nc3cc(nc4CCNC(=O)c34)-c3cccc(c3)-c3cccc(c3)C(=O)NC3CC3)cccc12
Show InChI InChI=1S/C33H27N5O3/c39-32(35-24-12-13-24)23-8-2-6-21(18-23)20-5-1-7-22(17-20)28-19-29(31-27(37-28)14-15-34-33(31)40)36-26-10-3-11-30-25(26)9-4-16-38(30)41/h1-11,16-19,24H,12-15H2,(H,34,40)(H,35,39)(H,36,37)
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n/an/a 0.0450n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256161
PNG
(CHEMBL4085121)
Show SMILES CN(C)CCCNC(=O)c1cccc(c1)-c1cccc(c1)-c1cc(Nc2cccc3ncccc23)c2C(=O)NCCc2n1
Show InChI InChI=1S/C35H34N6O2/c1-41(2)19-7-17-37-34(42)26-11-4-9-24(21-26)23-8-3-10-25(20-23)31-22-32(33-30(40-31)15-18-38-35(33)43)39-29-14-5-13-28-27(29)12-6-16-36-28/h3-6,8-14,16,20-22H,7,15,17-19H2,1-2H3,(H,37,42)(H,38,43)(H,39,40)
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n/an/a 0.110n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256153
PNG
(CHEMBL4072212)
Show SMILES OC(=O)c1ccc(cc1)-c1cccc(c1)-c1cc(Nc2cccc3ncccc23)c2C(=O)NCCc2n1
Show InChI InChI=1S/C30H22N4O3/c35-29-28-25(13-15-32-29)34-26(17-27(28)33-24-8-2-7-23-22(24)6-3-14-31-23)21-5-1-4-20(16-21)18-9-11-19(12-10-18)30(36)37/h1-12,14,16-17H,13,15H2,(H,32,35)(H,33,34)(H,36,37)
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n/an/a 0.110n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256156
PNG
(CHEMBL4074883)
Show SMILES O=C(NC1CC1)c1cccc(c1)-c1cccc(c1)-c1cc(Nc2cccc3ncccc23)c2C(=O)NCCc2n1
Show InChI InChI=1S/C33H27N5O2/c39-32(36-24-12-13-24)23-8-2-6-21(18-23)20-5-1-7-22(17-20)29-19-30(31-28(38-29)14-16-35-33(31)40)37-27-11-3-10-26-25(27)9-4-15-34-26/h1-11,15,17-19,24H,12-14,16H2,(H,35,40)(H,36,39)(H,37,38)
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n/an/a 0.170n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256086
PNG
(CHEMBL4103412)
Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2cccc(c2)-c2cccc(c2)C(=O)NCCN(C)C)c1
Show InChI InChI=1S/C32H33N5O3/c1-37(2)16-15-34-31(38)24-10-5-8-22(18-24)21-7-4-9-23(17-21)28-20-29(30-27(36-28)13-14-33-32(30)39)35-25-11-6-12-26(19-25)40-3/h4-12,17-20H,13-16H2,1-3H3,(H,33,39)(H,34,38)(H,35,36)
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n/an/a 0.230n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256194
PNG
(CHEMBL4066266)
Show SMILES O=C(NC1CC1)c1cccc(c1)-c1cccc(c1)-c1cc(Nc2ccnc3ccccc23)c2C(=O)NCCc2n1
Show InChI InChI=1S/C33H27N5O2/c39-32(36-24-11-12-24)23-8-4-6-21(18-23)20-5-3-7-22(17-20)29-19-30(31-28(38-29)14-16-35-33(31)40)37-27-13-15-34-26-10-2-1-9-25(26)27/h1-10,13,15,17-19,24H,11-12,14,16H2,(H,35,40)(H,36,39)(H,34,37,38)
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Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256084
PNG
(CHEMBL4084511)
Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2cccc(c2)-c2cccc(c2)C(N)=O)c1
Show InChI InChI=1S/C28H24N4O3/c1-35-22-10-4-9-21(15-22)31-25-16-24(32-23-11-12-30-28(34)26(23)25)19-7-2-5-17(13-19)18-6-3-8-20(14-18)27(29)33/h2-10,13-16H,11-12H2,1H3,(H2,29,33)(H,30,34)(H,31,32)
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n/an/a 0.280n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256155
PNG
(CHEMBL4087620)
Show SMILES O=C(NC1CC1)c1cccc(c1)-c1cccc(c1)-c1cc(Nc2cncc3ccccc23)c2C(=O)NCCc2n1
Show InChI InChI=1S/C33H27N5O2/c39-32(36-25-11-12-25)23-9-4-7-21(16-23)20-6-3-8-22(15-20)28-17-29(31-27(37-28)13-14-35-33(31)40)38-30-19-34-18-24-5-1-2-10-26(24)30/h1-10,15-19,25H,11-14H2,(H,35,40)(H,36,39)(H,37,38)
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Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256056
PNG
(CHEMBL4092158)
Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2cccc(c2)-c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C28H23N3O4/c1-35-22-7-3-6-21(15-22)30-25-16-24(31-23-12-13-29-27(32)26(23)25)20-5-2-4-19(14-20)17-8-10-18(11-9-17)28(33)34/h2-11,14-16H,12-13H2,1H3,(H,29,32)(H,30,31)(H,33,34)
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Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256137
PNG
(CHEMBL4073570)
Show SMILES [O-][n+]1cccc2c(Nc3cc(nc4CCNC(=O)c34)-c3ccccc3)cccc12
Show InChI InChI=1S/C23H18N4O2/c28-23-22-18(11-12-24-23)26-19(15-6-2-1-3-7-15)14-20(22)25-17-9-4-10-21-16(17)8-5-13-27(21)29/h1-10,13-14H,11-12H2,(H,24,28)(H,25,26)
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n/an/a 0.430n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14774
PNG
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
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n/an/a 0.700n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14774
PNG
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
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n/an/a 0.700n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 expressed in African green monkey COS7 cells using cAMP as substrate

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256144
PNG
(CHEMBL4103569)
Show SMILES Fc1ccc(cc1F)-c1cc(Nc2cccc3ncccc23)c2C(=O)NCCc2n1
Show InChI InChI=1S/C23H16F2N4O/c24-15-7-6-13(11-16(15)25)20-12-21(22-19(29-20)8-10-27-23(22)30)28-18-5-1-4-17-14(18)3-2-9-26-17/h1-7,9,11-12H,8,10H2,(H,27,30)(H,28,29)
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Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256152
PNG
(CHEMBL4076176)
Show SMILES Oc1cccc(c1)-c1cccc(c1)-c1cc(Nc2cccc3ncccc23)c2C(=O)NCCc2n1
Show InChI InChI=1S/C29H22N4O2/c34-21-8-2-6-19(16-21)18-5-1-7-20(15-18)26-17-27(28-25(33-26)12-14-31-29(28)35)32-24-11-3-10-23-22(24)9-4-13-30-23/h1-11,13,15-17,34H,12,14H2,(H,31,35)(H,32,33)
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n/an/a 0.890n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256193
PNG
(CHEMBL4087186)
Show SMILES Fc1ccc(cc1F)-c1cc(Nc2cccc3ncccc23)c2\C(NCCc2n1)=N\C#N
Show InChI InChI=1S/C24H16F2N6/c25-16-7-6-14(11-17(16)26)21-12-22(23-20(32-21)8-10-29-24(23)30-13-27)31-19-5-1-4-18-15(19)3-2-9-28-18/h1-7,9,11-12H,8,10H2,(H,29,30)(H,31,32)
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Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256133
PNG
(CHEMBL4064980)
Show SMILES O=C1NCCc2nc(cc(Nc3cccc4ncccc34)c12)-c1ccccc1
Show InChI InChI=1S/C23H18N4O/c28-23-22-19(11-13-25-23)27-20(15-6-2-1-3-7-15)14-21(22)26-18-10-4-9-17-16(18)8-5-12-24-17/h1-10,12,14H,11,13H2,(H,25,28)(H,26,27)
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n/an/a 0.960n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256154
PNG
(CHEMBL4099174)
Show SMILES CCOC(=O)c1ccc(cc1)-c1cccc(c1)-c1cc(Nc2cccc3ncccc23)c2C(=O)NCCc2n1
Show InChI InChI=1S/C32H26N4O3/c1-2-39-32(38)21-13-11-20(12-14-21)22-6-3-7-23(18-22)28-19-29(30-27(36-28)15-17-34-31(30)37)35-26-10-4-9-25-24(26)8-5-16-33-25/h3-14,16,18-19H,2,15,17H2,1H3,(H,34,37)(H,35,36)
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n/an/a 1.20n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of Abl tyrosine kinase

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256187
PNG
(CHEMBL4062889)
Show SMILES NC(=O)c1ccc(Nc2cc(nc3CCNC(=O)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C21H18N4O2/c22-20(26)14-6-8-15(9-7-14)24-18-12-17(13-4-2-1-3-5-13)25-16-10-11-23-21(27)19(16)18/h1-9,12H,10-11H2,(H2,22,26)(H,23,27)(H,24,25)
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n/an/a 1.5n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50255987
PNG
(CHEMBL4064370)
Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2ccccc2)c1
Show InChI InChI=1S/C21H19N3O2/c1-26-16-9-5-8-15(12-16)23-19-13-18(14-6-3-2-4-7-14)24-17-10-11-22-21(25)20(17)19/h2-9,12-13H,10-11H2,1H3,(H,22,25)(H,23,24)
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n/an/a 1.60n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256088
PNG
(CHEMBL4065589)
Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2cccc(Sc3cccc(OC)c3)c2)c1
Show InChI InChI=1S/C28H25N3O3S/c1-33-20-8-4-7-19(15-20)30-26-17-25(31-24-12-13-29-28(32)27(24)26)18-6-3-10-22(14-18)35-23-11-5-9-21(16-23)34-2/h3-11,14-17H,12-13H2,1-2H3,(H,29,32)(H,30,31)
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n/an/a 1.60n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256087
PNG
(CHEMBL4079160)
Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2cccc(c2)-c2cccc(O)c2)c1
Show InChI InChI=1S/C27H23N3O3/c1-33-22-10-4-8-20(15-22)29-25-16-24(30-23-11-12-28-27(32)26(23)25)19-7-2-5-17(13-19)18-6-3-9-21(31)14-18/h2-10,13-16,31H,11-12H2,1H3,(H,28,32)(H,29,30)
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n/an/a 1.80n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256085
PNG
(CHEMBL4102469)
Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2cccc(c2)-c2cccc(c2)C(=O)NC2CC2)c1
Show InChI InChI=1S/C31H28N4O3/c1-38-25-10-4-9-24(17-25)33-28-18-27(35-26-13-14-32-31(37)29(26)28)21-7-2-5-19(15-21)20-6-3-8-22(16-20)30(36)34-23-11-12-23/h2-10,15-18,23H,11-14H2,1H3,(H,32,37)(H,33,35)(H,34,36)
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n/an/a 2.10n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256100
PNG
(CHEMBL4075827)
Show SMILES COc1cc(Nc2cc(nc3CCNC(=O)c23)-c2ccccc2)ccc1C(O)=O
Show InChI InChI=1S/C22H19N3O4/c1-29-19-11-14(7-8-15(19)22(27)28)24-18-12-17(13-5-3-2-4-6-13)25-16-9-10-23-21(26)20(16)18/h2-8,11-12H,9-10H2,1H3,(H,23,26)(H,24,25)(H,27,28)
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n/an/a 2.30n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256134
PNG
(CHEMBL4099091)
Show SMILES O=C1NCCc2nc(cc(Nc3ccc4ncccc4c3)c12)-c1ccccc1
Show InChI InChI=1S/C23H18N4O/c28-23-22-19(10-12-25-23)27-20(15-5-2-1-3-6-15)14-21(22)26-17-8-9-18-16(13-17)7-4-11-24-18/h1-9,11,13-14H,10,12H2,(H,25,28)(H,26,27)
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n/an/a 2.30n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256089
PNG
(CHEMBL4061787)
Show SMILES O=C1NCCc2nc(cc(Nc3cccc(c3)C#N)c12)-c1ccccc1
Show InChI InChI=1S/C21H16N4O/c22-13-14-5-4-8-16(11-14)24-19-12-18(15-6-2-1-3-7-15)25-17-9-10-23-21(26)20(17)19/h1-8,11-12H,9-10H2,(H,23,26)(H,24,25)
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n/an/a 3.30n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256050
PNG
(CHEMBL4076312)
Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2ccncc2)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-15-4-2-3-14(11-15)23-18-12-17(13-5-8-21-9-6-13)24-16-7-10-22-20(25)19(16)18/h2-6,8-9,11-12H,7,10H2,1H3,(H,22,25)(H,23,24)
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n/an/a 3.60n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256135
PNG
(CHEMBL4078585)
Show SMILES O=C1NCCc2nc(cc(Nc3n[nH]c4ncccc34)c12)-c1ccccc1
Show InChI InChI=1S/C20H16N6O/c27-20-17-14(8-10-22-20)23-15(12-5-2-1-3-6-12)11-16(17)24-19-13-7-4-9-21-18(13)25-26-19/h1-7,9,11H,8,10H2,(H,22,27)(H2,21,23,24,25,26)
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n/an/a 5.60n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256058
PNG
(CHEMBL4094718)
Show SMILES COC(=O)c1ccc(O)c(c1)-c1cccc(c1)-c1cc(Nc2cccc(OC)c2)c2C(=O)NCCc2n1
Show InChI InChI=1S/C29H25N3O5/c1-36-21-8-4-7-20(15-21)31-25-16-24(32-23-11-12-30-28(34)27(23)25)18-6-3-5-17(13-18)22-14-19(29(35)37-2)9-10-26(22)33/h3-10,13-16,33H,11-12H2,1-2H3,(H,30,34)(H,31,32)
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n/an/a 5.60n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256057
PNG
(CHEMBL4071361)
Show SMILES CCOC(=O)c1ccc(cc1)-c1cccc(c1)-c1cc(Nc2cccc(OC)c2)c2C(=O)NCCc2n1
Show InChI InChI=1S/C30H27N3O4/c1-3-37-30(35)20-12-10-19(11-13-20)21-6-4-7-22(16-21)26-18-27(28-25(33-26)14-15-31-29(28)34)32-23-8-5-9-24(17-23)36-2/h4-13,16-18H,3,14-15H2,1-2H3,(H,31,34)(H,32,33)
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n/an/a 7.20n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50255988
PNG
(CHEMBL4076119)
Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2cccc(Br)c2)c1
Show InChI InChI=1S/C21H18BrN3O2/c1-27-16-7-3-6-15(11-16)24-19-12-18(13-4-2-5-14(22)10-13)25-17-8-9-23-21(26)20(17)19/h2-7,10-12H,8-9H2,1H3,(H,23,26)(H,24,25)
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n/an/a 8.20n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256180
PNG
(CHEMBL4069223)
Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2cccc(OC)c2)c1
Show InChI InChI=1S/C22H21N3O3/c1-27-16-7-3-5-14(11-16)19-13-20(21-18(25-19)9-10-23-22(21)26)24-15-6-4-8-17(12-15)28-2/h3-8,11-13H,9-10H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 8.40n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256055
PNG
(CHEMBL4077640)
Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)C2CC2)c1
Show InChI InChI=1S/C18H19N3O2/c1-23-13-4-2-3-12(9-13)20-16-10-15(11-5-6-11)21-14-7-8-19-18(22)17(14)16/h2-4,9-11H,5-8H2,1H3,(H,19,22)(H,20,21)
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n/an/a 8.5n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256099
PNG
(CHEMBL4085531)
Show SMILES OC[C@H](O)Cc1ccc(Nc2cc(nc3CCNC(=O)c23)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H23N3O3/c27-14-18(28)12-15-6-8-17(9-7-15)25-21-13-20(16-4-2-1-3-5-16)26-19-10-11-24-23(29)22(19)21/h1-9,13,18,27-28H,10-12,14H2,(H,24,29)(H,25,26)/t18-/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256184
PNG
(CHEMBL4074212)
Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2cccc(c2)-c2cc(ccc2O)C(O)=O)c1
Show InChI InChI=1S/C28H23N3O5/c1-36-20-7-3-6-19(14-20)30-24-15-23(31-22-10-11-29-27(33)26(22)24)17-5-2-4-16(12-17)21-13-18(28(34)35)8-9-25(21)32/h2-9,12-15,32H,10-11H2,1H3,(H,29,33)(H,30,31)(H,34,35)
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n/an/a 9.60n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256127
PNG
(CHEMBL4060147)
Show SMILES O=C1NCCc2nc(cc(Nc3cccc4ccccc34)c12)-c1ccccc1
Show InChI InChI=1S/C24H19N3O/c28-24-23-20(13-14-25-24)27-21(17-8-2-1-3-9-17)15-22(23)26-19-12-6-10-16-7-4-5-11-18(16)19/h1-12,15H,13-14H2,(H,25,28)(H,26,27)
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n/an/a 11n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256136
PNG
(CHEMBL4083943)
Show SMILES Cn1nc(Nc2cc(nc3CCNC(=O)c23)-c2ccccc2)c2cccnc12
Show InChI InChI=1S/C21H18N6O/c1-27-20-14(8-5-10-22-20)19(26-27)25-17-12-16(13-6-3-2-4-7-13)24-15-9-11-23-21(28)18(15)17/h2-8,10,12H,9,11H2,1H3,(H,23,28)(H,24,25,26)
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n/an/a 11n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256188
PNG
(CHEMBL4082038)
Show SMILES O=C1NCCc2nc(cc(NCCc3ccncc3)c12)-c1ccccc1
Show InChI InChI=1S/C21H20N4O/c26-21-20-17(9-13-24-21)25-18(16-4-2-1-3-5-16)14-19(20)23-12-8-15-6-10-22-11-7-15/h1-7,10-11,14H,8-9,12-13H2,(H,23,25)(H,24,26)
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n/an/a 12n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256101
PNG
(CHEMBL4090819)
Show SMILES NC(=O)c1cccc(Nc2cc(nc3CCNC(=O)c23)-c2ccccc2)c1
Show InChI InChI=1S/C21H18N4O2/c22-20(26)14-7-4-8-15(11-14)24-18-12-17(13-5-2-1-3-6-13)25-16-9-10-23-21(27)19(16)18/h1-8,11-12H,9-10H2,(H2,22,26)(H,23,27)(H,24,25)
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n/an/a 12n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256098
PNG
(CHEMBL4072549)
Show SMILES OCCc1ccc(Nc2cc(nc3CCNC(=O)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C22H21N3O2/c26-13-11-15-6-8-17(9-7-15)24-20-14-19(16-4-2-1-3-5-16)25-18-10-12-23-22(27)21(18)20/h1-9,14,26H,10-13H2,(H,23,27)(H,24,25)
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n/an/a 12n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256143
PNG
(CHEMBL4079300)
Show SMILES COc1cccc(Nc2cc(nc3CCN\C(=N/C#N)c23)-c2cccc(OC)c2)c1
Show InChI InChI=1S/C23H21N5O2/c1-29-17-7-3-5-15(11-17)20-13-21(27-16-6-4-8-18(12-16)30-2)22-19(28-20)9-10-25-23(22)26-14-24/h3-8,11-13H,9-10H2,1-2H3,(H,25,26)(H,27,28)
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n/an/a 13n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256189
PNG
(CHEMBL4086443)
Show SMILES O=C1NCCc2nc(cc(Nc3cccc4cnccc34)c12)-c1ccccc1
Show InChI InChI=1S/C23H18N4O/c28-23-22-19(10-12-25-23)27-20(15-5-2-1-3-6-15)13-21(22)26-18-8-4-7-16-14-24-11-9-17(16)18/h1-9,11,13-14H,10,12H2,(H,25,28)(H,26,27)
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n/an/a 14n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256186
PNG
(CHEMBL4093279)
Show SMILES OCc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2ccccc2)c1
Show InChI InChI=1S/C21H19N3O2/c25-13-14-5-4-8-16(11-14)23-19-12-18(15-6-2-1-3-7-15)24-17-9-10-22-21(26)20(17)19/h1-8,11-12,25H,9-10,13H2,(H,22,26)(H,23,24)
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n/an/a 24n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256126
PNG
(CHEMBL4079785)
Show SMILES O=C1NCCc2nc(cc(NCc3ccncc3)c12)-c1ccccc1
Show InChI InChI=1S/C20H18N4O/c25-20-19-16(8-11-22-20)24-17(15-4-2-1-3-5-15)12-18(19)23-13-14-6-9-21-10-7-14/h1-7,9-10,12H,8,11,13H2,(H,22,25)(H,23,24)
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n/an/a 25n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256097
PNG
(CHEMBL4083557)
Show SMILES COc1cc(Nc2cc(nc3CCNC(=O)c23)-c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C22H21N3O3/c1-27-16-10-15(11-17(12-16)28-2)24-20-13-19(14-6-4-3-5-7-14)25-18-8-9-23-22(26)21(18)20/h3-7,10-13H,8-9H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 27n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50248919
PNG
((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Show SMILES CCOc1cc(ccc1OC)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O |r|
Show InChI InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50255995
PNG
(CHEMBL4082556)
Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2ccccc2OC)c1
Show InChI InChI=1S/C22H21N3O3/c1-27-15-7-5-6-14(12-15)24-19-13-18(16-8-3-4-9-20(16)28-2)25-17-10-11-23-22(26)21(17)19/h3-9,12-13H,10-11H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 32n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256141
PNG
(CHEMBL4088089)
Show SMILES NC(=O)c1cnc(cc1Nc1cccc2ncccc12)-c1ccccc1
Show InChI InChI=1S/C21H16N4O/c22-21(26)16-13-24-19(14-6-2-1-3-7-14)12-20(16)25-18-10-4-9-17-15(18)8-5-11-23-17/h1-13H,(H2,22,26)(H,24,25)
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n/an/a 35n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256115
PNG
(CHEMBL4101010)
Show SMILES Cc1ccncc1Nc1cc(nc2CCNC(=O)c12)-c1ccccc1
Show InChI InChI=1S/C20H18N4O/c1-13-7-9-21-12-18(13)24-17-11-16(14-5-3-2-4-6-14)23-15-8-10-22-20(25)19(15)17/h2-7,9,11-12H,8,10H2,1H3,(H,22,25)(H,23,24)
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n/an/a 42n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256183
PNG
(CHEMBL4087037)
Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2cc[n+]([O-])cc2)c1
Show InChI InChI=1S/C20H18N4O3/c1-27-15-4-2-3-14(11-15)22-18-12-17(13-6-9-24(26)10-7-13)23-16-5-8-21-20(25)19(16)18/h2-4,6-7,9-12H,5,8H2,1H3,(H,21,25)(H,22,23)
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n/an/a 51n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256138
PNG
(CHEMBL4094200)
Show SMILES COc1cccc(Nc2nc(nc3CCNC(=O)c23)-c2ccccc2)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-15-9-5-8-14(12-15)22-19-17-16(10-11-21-20(17)25)23-18(24-19)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,21,25)(H,22,23,24)
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n/an/a 52n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256190
PNG
(CHEMBL4101934)
Show SMILES O=C1NCCc2nc(cc(Nc3nn(-c4ccccc4)c4ncccc34)c12)-c1ccccc1
Show InChI InChI=1S/C26H20N6O/c33-26-23-20(13-15-28-26)29-21(17-8-3-1-4-9-17)16-22(23)30-24-19-12-7-14-27-25(19)32(31-24)18-10-5-2-6-11-18/h1-12,14,16H,13,15H2,(H,28,33)(H,29,30,31)
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n/an/a 56n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256139
PNG
(CHEMBL4079533)
Show SMILES COc1cccc(Nc2cc(nc3CC(C)NC(=O)c23)-c2ccccc2)c1
Show InChI InChI=1S/C22H21N3O2/c1-14-11-19-21(22(26)23-14)20(24-16-9-6-10-17(12-16)27-2)13-18(25-19)15-7-4-3-5-8-15/h3-10,12-14H,11H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 120n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256140
PNG
(CHEMBL4059812)
Show SMILES COc1cccc(Nc2cc(ncc2C(N)=O)-c2ccccc2)c1
Show InChI InChI=1S/C19H17N3O2/c1-24-15-9-5-8-14(10-15)22-18-11-17(13-6-3-2-4-7-13)21-12-16(18)19(20)23/h2-12H,1H3,(H2,20,23)(H,21,22)
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n/an/a 240n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256191
PNG
(CHEMBL4097568)
Show SMILES COc1cccc(Nc2cc(nc3C(C)CNC(=O)c23)-c2ccccc2)c1
Show InChI InChI=1S/C22H21N3O2/c1-14-13-23-22(26)20-19(24-16-9-6-10-17(11-16)27-2)12-18(25-21(14)20)15-7-4-3-5-8-15/h3-12,14H,13H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 640n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256142
PNG
(CHEMBL4095815)
Show SMILES COc1cccc(Nc2cc(nc3CCN\C(=N/O)c23)-c2cccc(OC)c2)c1
Show InChI InChI=1S/C22H22N4O3/c1-28-16-7-3-5-14(11-16)19-13-20(24-15-6-4-8-17(12-15)29-2)21-18(25-19)9-10-23-22(21)26-27/h3-8,11-13,27H,9-10H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256185
PNG
(CHEMBL4087021)
Show SMILES Nc1cc(nc2CCNC(=O)c12)-c1ccccc1
Show InChI InChI=1S/C14H13N3O/c15-10-8-12(9-4-2-1-3-5-9)17-11-6-7-16-14(18)13(10)11/h1-5,8H,6-7H2,(H2,15,17)(H,16,18)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256192
PNG
(CHEMBL4076548)
Show SMILES CNC(=O)c1cnc(cc1Nc1cccc2ncccc12)-c1ccccc1
Show InChI InChI=1S/C22H18N4O/c1-23-22(27)17-14-25-20(15-7-3-2-4-8-15)13-21(17)26-19-11-5-10-18-16(19)9-6-12-24-18/h2-14H,1H3,(H,23,27)(H,25,26)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma

J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%