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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'lunniss' and Initial = 'c'   
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))
BDBM50415240
PNG
(CHEMBL595737)
Show SMILES Cc1cc(cc2C(Nc3cncc(Cl)c3)C(=NNc12)C(N)=O)S(C)(=O)=O |c:16|
Show InChI InChI=1S/C16H16ClN5O3S/c1-8-3-11(26(2,24)25)5-12-13(8)21-22-15(16(18)23)14(12)20-10-4-9(17)6-19-7-10/h3-7,14,20-21H,1-2H3,(H2,18,23)
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n/an/a 0.0794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain by scintillation proximity assay


Bioorg Med Chem Lett 20: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4KPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415241
PNG
(CHEMBL595549)
Show SMILES CCn1nccc1NC1C(=NNc2c(C)cc(cc12)S(=O)(=O)CC)C(N)=O |c:10|
Show InChI InChI=1S/C17H22N6O3S/c1-4-23-13(6-7-19-23)20-15-12-9-11(27(25,26)5-2)8-10(3)14(12)21-22-16(15)17(18)24/h6-9,15,20-21H,4-5H2,1-3H3,(H2,18,24)
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n/an/a 0.316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain by scintillation proximity assay


Bioorg Med Chem Lett 20: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4KPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413296
PNG
(CHEMBL473764)
Show SMILES COc1cc(Nc2c(cnc3c(C)cc(cc23)S(C)(=O)=O)C(N)=O)ccc1F
Show InChI InChI=1S/C19H18FN3O4S/c1-10-6-12(28(3,25)26)8-13-17(10)22-9-14(19(21)24)18(13)23-11-4-5-15(20)16(7-11)27-2/h4-9H,1-3H3,(H2,21,24)(H,22,23)
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n/an/a 0.316n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
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 0.398n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413297
PNG
(CHEMBL473560)
Show SMILES Cc1cc(cc2c(Nc3cccc(c3)C#N)c(cnc12)C(N)=O)S(C)(=O)=O
Show InChI InChI=1S/C19H16N4O3S/c1-11-6-14(27(2,25)26)8-15-17(11)22-10-16(19(21)24)18(15)23-13-5-3-4-12(7-13)9-20/h3-8,10H,1-2H3,(H2,21,24)(H,22,23)
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n/an/a 0.398n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415243
PNG
(CHEMBL605095)
Show SMILES CC(C)(C)S(=O)(=O)c1ccc2NN=C(C(Nc3cncc(F)c3)c2c1)C(N)=O |c:12|
Show InChI InChI=1S/C18H20FN5O3S/c1-18(2,3)28(26,27)12-4-5-14-13(7-12)15(16(17(20)25)24-23-14)22-11-6-10(19)8-21-9-11/h4-9,15,22-23H,1-3H3,(H2,20,25)
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n/an/a 0.501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain by scintillation proximity assay


Bioorg Med Chem Lett 20: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4KPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415244
PNG
(CHEMBL595054)
Show SMILES CS(=O)(=O)c1cc(F)c2NN=C(C(Nc3cncc(F)c3)c2c1)C(N)=O |c:10|
Show InChI InChI=1S/C15H13F2N5O3S/c1-26(24,25)9-3-10-12(11(17)4-9)21-22-14(15(18)23)13(10)20-8-2-7(16)5-19-6-8/h2-6,13,20-21H,1H3,(H2,18,23)
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n/an/a 0.631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain by scintillation proximity assay


Bioorg Med Chem Lett 20: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4KPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415242
PNG
(CHEMBL595745)
Show SMILES CS(=O)(=O)c1ccc2NN=C(C(Nc3cncc(Cl)c3)c2c1)C(N)=O |c:9|
Show InChI InChI=1S/C15H14ClN5O3S/c1-25(23,24)10-2-3-12-11(5-10)13(14(15(17)22)21-20-12)19-9-4-8(16)6-18-7-9/h2-7,13,19-20H,1H3,(H2,17,22)
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n/an/a 0.794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain by scintillation proximity assay


Bioorg Med Chem Lett 20: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4KPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415245
PNG
(CHEMBL593894)
Show SMILES Cc1cc(cc2c(Nc3cccc(c3)C#N)c(C(N)=O)c(=O)[nH]c12)S(C)(=O)=O
Show InChI InChI=1S/C19H16N4O4S/c1-10-6-13(28(2,26)27)8-14-16(10)23-19(25)15(18(21)24)17(14)22-12-5-3-4-11(7-12)9-20/h3-8H,1-2H3,(H2,21,24)(H2,22,23,25)
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain by scintillation proximity assay


Bioorg Med Chem Lett 20: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4KPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413291
PNG
(CHEMBL515240)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccccc2)C(N)=O)c1
Show InChI InChI=1S/C23H19N3O4S/c1-30-16-7-5-6-15(12-16)26-22-19-13-18(31(28,29)17-8-3-2-4-9-17)10-11-21(19)25-14-20(22)23(24)27/h2-14H,1H3,(H2,24,27)(H,25,26)
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n/an/a 1.58n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50494813
PNG
(CHEMBL3094348)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1ccc(nc1)C(O)=O
Show InChI InChI=1S/C21H17N5O3S/c1-2-22-20(29)26-21-25-17-10-13(12-6-7-16(19(27)28)24-11-12)9-14(18(17)30-21)15-5-3-4-8-23-15/h3-11H,2H2,1H3,(H,27,28)(H2,22,25,26,29)
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n/an/a 2.38n/an/an/an/an/an/a



Biota Holdings Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay


Bioorg Med Chem Lett 23: 6598-603 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413286
PNG
(CHEMBL517766)
Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc4OCCc34)c2c1
Show InChI InChI=1S/C19H17N3O4S/c1-27(24,25)11-5-6-15-13(9-11)18(14(10-21-15)19(20)23)22-16-3-2-4-17-12(16)7-8-26-17/h2-6,9-10H,7-8H2,1H3,(H2,20,23)(H,21,22)
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n/an/a 2.51n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413298
PNG
(CHEMBL462150)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(C)(=O)=O)C(N)=O)c1
Show InChI InChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)21-17-14-9-13(26(2,23)24)6-7-16(14)20-10-15(17)18(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21)
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n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413306
PNG
(CHEMBL515098)
Show SMILES COc1cc(Nc2c(cnc3c(OC)cc(cc23)S(C)(=O)=O)C(N)=O)ccc1F
Show InChI InChI=1S/C19H18FN3O5S/c1-27-15-6-10(4-5-14(15)20)23-17-12-7-11(29(3,25)26)8-16(28-2)18(12)22-9-13(17)19(21)24/h4-9H,1-3H3,(H2,21,24)(H,22,23)
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n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413288
PNG
(CHEMBL517590)
Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(Cl)c3F)c2c1
Show InChI InChI=1S/C17H13ClFN3O3S/c1-26(24,25)9-5-6-13-10(7-9)16(11(8-21-13)17(20)23)22-14-4-2-3-12(18)15(14)19/h2-8H,1H3,(H2,20,23)(H,21,22)
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n/an/a 6.31n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50494804
PNG
(CHEMBL3094361)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCCC1(C)C(O)=O
Show InChI InChI=1S/C25H25N7O3S/c1-3-26-23(35)31-24-30-19-12-15(11-17(20(19)36-24)18-7-4-5-9-27-18)16-13-28-22(29-14-16)32-10-6-8-25(32,2)21(33)34/h4-5,7,9,11-14H,3,6,8,10H2,1-2H3,(H,33,34)(H2,26,30,31,35)
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n/an/a 9.93n/an/an/an/an/an/a



Biota Holdings Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay


Bioorg Med Chem Lett 23: 6598-603 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50494814
PNG
(CHEMBL3094364)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCCC(C)(CC1)C(O)=O
Show InChI InChI=1S/C27H29N7O3S/c1-3-28-25(37)33-26-32-21-14-17(13-19(22(21)38-26)20-7-4-5-10-29-20)18-15-30-24(31-16-18)34-11-6-8-27(2,9-12-34)23(35)36/h4-5,7,10,13-16H,3,6,8-9,11-12H2,1-2H3,(H,35,36)(H2,28,32,33,37)
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n/an/a 11.3n/an/an/an/an/an/a



Biota Holdings Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay


Bioorg Med Chem Lett 23: 6598-603 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)
BDBM50494811
PNG
(CHEMBL3094350)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(C)(CC1)C(O)=O
Show InChI InChI=1S/C26H27N7O3S/c1-3-27-24(36)32-25-31-20-13-16(12-18(21(20)37-25)19-6-4-5-9-28-19)17-14-29-23(30-15-17)33-10-7-26(2,8-11-33)22(34)35/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H,34,35)(H2,27,31,32,36)
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n/an/a 15.5n/an/an/an/an/an/a



Biota Holdings Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA topoisomerase 4 subunit ParC2/ParE2 after 60 mins by malachite green staining assay


Bioorg Med Chem Lett 23: 6598-603 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50494811
PNG
(CHEMBL3094350)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(C)(CC1)C(O)=O
Show InChI InChI=1S/C26H27N7O3S/c1-3-27-24(36)32-25-31-20-13-16(12-18(21(20)37-25)19-6-4-5-9-28-19)17-14-29-23(30-15-17)33-10-7-26(2,8-11-33)22(34)35/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H,34,35)(H2,27,31,32,36)
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n/an/a 15.5n/an/an/an/an/an/a



Biota Holdings Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay


Bioorg Med Chem Lett 23: 6598-603 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413299
PNG
(CHEMBL463417)
Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C17H14ClN3O3S/c1-25(23,24)12-5-6-15-13(8-12)16(14(9-20-15)17(19)22)21-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,22)(H,20,21)
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n/an/a 15.8n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50494806
PNG
(CHEMBL3094349)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C25H25N7O3S/c1-2-26-24(35)31-25-30-20-12-16(11-18(21(20)36-25)19-5-3-4-8-27-19)17-13-28-23(29-14-17)32-9-6-15(7-10-32)22(33)34/h3-5,8,11-15H,2,6-7,9-10H2,1H3,(H,33,34)(H2,26,30,31,35)
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n/an/a 19.9n/an/an/an/an/an/a



Biota Holdings Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay


Bioorg Med Chem Lett 23: 6598-603 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413285
PNG
(CHEMBL463418)
Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(c3)C#N)c2c1
Show InChI InChI=1S/C18H14N4O3S/c1-26(24,25)13-5-6-16-14(8-13)17(15(10-21-16)18(20)23)22-12-4-2-3-11(7-12)9-19/h2-8,10H,1H3,(H2,20,23)(H,21,22)
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50494810
PNG
(CHEMBL3094351)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(CC)(CC1)C(O)=O
Show InChI InChI=1S/C27H29N7O3S/c1-3-27(23(35)36)8-11-34(12-9-27)24-30-15-18(16-31-24)17-13-19(20-7-5-6-10-29-20)22-21(14-17)32-26(38-22)33-25(37)28-4-2/h5-7,10,13-16H,3-4,8-9,11-12H2,1-2H3,(H,35,36)(H2,28,32,33,37)
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n/an/a 22.6n/an/an/an/an/an/a



Biota Holdings Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay


Bioorg Med Chem Lett 23: 6598-603 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50494805
PNG
(CHEMBL3094357)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1ccc(nc1)N1CCC(C)(CC1)C(O)=O
Show InChI InChI=1S/C27H28N6O3S/c1-3-28-25(36)32-26-31-21-15-18(14-19(23(21)37-26)20-6-4-5-11-29-20)17-7-8-22(30-16-17)33-12-9-27(2,10-13-33)24(34)35/h4-8,11,14-16H,3,9-10,12-13H2,1-2H3,(H,34,35)(H2,28,31,32,36)
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n/an/a 23.2n/an/an/an/an/an/a



Biota Holdings Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay


Bioorg Med Chem Lett 23: 6598-603 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)
BDBM50494806
PNG
(CHEMBL3094349)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C25H25N7O3S/c1-2-26-24(35)31-25-30-20-12-16(11-18(21(20)36-25)19-5-3-4-8-27-19)17-13-28-23(29-14-17)32-9-6-15(7-10-32)22(33)34/h3-5,8,11-15H,2,6-7,9-10H2,1H3,(H,33,34)(H2,26,30,31,35)
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n/an/a 23.8n/an/an/an/an/an/a



Biota Holdings Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA topoisomerase 4 subunit ParC2/ParE2 after 60 mins by malachite green staining assay


Bioorg Med Chem Lett 23: 6598-603 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50494802
PNG
(CHEMBL3094353)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(CC1)(C(O)=O)C(F)(F)F
Show InChI InChI=1S/C26H24F3N7O3S/c1-2-30-23(39)35-24-34-19-12-15(11-17(20(19)40-24)18-5-3-4-8-31-18)16-13-32-22(33-14-16)36-9-6-25(7-10-36,21(37)38)26(27,28)29/h3-5,8,11-14H,2,6-7,9-10H2,1H3,(H,37,38)(H2,30,34,35,39)
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n/an/a 28n/an/an/an/an/an/a



Biota Holdings Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay


Bioorg Med Chem Lett 23: 6598-603 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50494809
PNG
(CHEMBL3094359)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cncc(c1)N1CCC(C)(CC1)C(O)=O
Show InChI InChI=1S/C27H28N6O3S/c1-3-29-25(36)32-26-31-22-14-17(13-20(23(22)37-26)21-6-4-5-9-30-21)18-12-19(16-28-15-18)33-10-7-27(2,8-11-33)24(34)35/h4-6,9,12-16H,3,7-8,10-11H2,1-2H3,(H,34,35)(H2,29,31,32,36)
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n/an/a 29n/an/an/an/an/an/a



Biota Holdings Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay


Bioorg Med Chem Lett 23: 6598-603 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413301
PNG
(CHEMBL461111)
Show SMILES COc1cc(Nc2c(cnc3ccc(cc23)S(C)(=O)=O)C(N)=O)ccc1F
Show InChI InChI=1S/C18H16FN3O4S/c1-26-16-7-10(3-5-14(16)19)22-17-12-8-11(27(2,24)25)4-6-15(12)21-9-13(17)18(20)23/h3-9H,1-2H3,(H2,20,23)(H,21,22)
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n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50494812
PNG
(CHEMBL3094347)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cccnc1
Show InChI InChI=1S/C20H17N5OS/c1-2-22-19(26)25-20-24-17-11-14(13-6-5-8-21-12-13)10-15(18(17)27-20)16-7-3-4-9-23-16/h3-12H,2H2,1H3,(H2,22,24,25,26)
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n/an/a 37.3n/an/an/an/an/an/a



Biota Holdings Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay


Bioorg Med Chem Lett 23: 6598-603 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50494803
PNG
(CHEMBL3094358)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(cn1)N1CCC(C)(CC1)C(O)=O
Show InChI InChI=1S/C26H27N7O3S/c1-3-27-24(36)32-25-31-19-13-16(12-17(22(19)37-25)18-6-4-5-9-28-18)20-14-30-21(15-29-20)33-10-7-26(2,8-11-33)23(34)35/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H,34,35)(H2,27,31,32,36)
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n/an/a 38.6n/an/an/an/an/an/a



Biota Holdings Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay


Bioorg Med Chem Lett 23: 6598-603 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50494807
PNG
(CHEMBL3094362)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(C)(C1)C(O)=O
Show InChI InChI=1S/C25H25N7O3S/c1-3-26-23(35)31-24-30-19-11-15(10-17(20(19)36-24)18-6-4-5-8-27-18)16-12-28-22(29-13-16)32-9-7-25(2,14-32)21(33)34/h4-6,8,10-13H,3,7,9,14H2,1-2H3,(H,33,34)(H2,26,30,31,35)
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n/an/a 79.4n/an/an/an/an/an/a



Biota Holdings Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay


Bioorg Med Chem Lett 23: 6598-603 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413307
PNG
(CHEMBL464009)
Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(CN)c3)c2c1
Show InChI InChI=1S/C18H18N4O3S/c1-26(24,25)13-5-6-16-14(8-13)17(15(10-21-16)18(20)23)22-12-4-2-3-11(7-12)9-19/h2-8,10H,9,19H2,1H3,(H2,20,23)(H,21,22)
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n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413300
PNG
(CHEMBL464207)
Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccnc3)c2c1
Show InChI InChI=1S/C16H14N4O3S/c1-24(22,23)11-4-5-14-12(7-11)15(13(9-19-14)16(17)21)20-10-3-2-6-18-8-10/h2-9H,1H3,(H2,17,21)(H,19,20)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413282
PNG
(CHEMBL517900)
Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(O)c3)c2c1
Show InChI InChI=1S/C17H15N3O4S/c1-25(23,24)12-5-6-15-13(8-12)16(14(9-19-15)17(18)22)20-10-3-2-4-11(21)7-10/h2-9,21H,1H3,(H2,18,22)(H,19,20)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50494808
PNG
(CHEMBL3094360)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1nc(ns1)N1CCC(C)(CC1)C(O)=O
Show InChI InChI=1S/C24H25N7O3S2/c1-3-25-22(34)29-23-27-17-13-14(12-15(18(17)35-23)16-6-4-5-9-26-16)19-28-21(30-36-19)31-10-7-24(2,8-11-31)20(32)33/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3,(H,32,33)(H2,25,27,29,34)
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n/an/a 106n/an/an/an/an/an/a



Biota Holdings Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay


Bioorg Med Chem Lett 23: 6598-603 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413292
PNG
(CHEMBL473550)
Show SMILES COc1cccc(Nc2c(CN)cnc3ccc(cc23)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C23H21N3O3S/c1-29-18-7-5-6-17(12-18)26-23-16(14-24)15-25-22-11-10-20(13-21(22)23)30(27,28)19-8-3-2-4-9-19/h2-13,15H,14,24H2,1H3,(H,25,26)
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413303
PNG
(CHEMBL514940)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(C)(=O)=O)C#N)c1
Show InChI InChI=1S/C18H15N3O3S/c1-24-14-5-3-4-13(8-14)21-18-12(10-19)11-20-17-7-6-15(9-16(17)18)25(2,22)23/h3-9,11H,1-2H3,(H,20,21)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413290
PNG
(CHEMBL472958)
Show SMILES CN(c1cccc(Cl)c1)c1c(cnc2ccc(cc12)S(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C18H16ClN3O3S/c1-22(12-5-3-4-11(19)8-12)17-14-9-13(26(2,24)25)6-7-16(14)21-10-15(17)18(20)23/h3-10H,1-2H3,(H2,20,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413293
PNG
(CHEMBL514301)
Show SMILES CNC(=O)c1cnc2ccc(cc2c1Nc1cccc(OC)c1)S(C)(=O)=O
Show InChI InChI=1S/C19H19N3O4S/c1-20-19(23)16-11-21-17-8-7-14(27(3,24)25)10-15(17)18(16)22-12-5-4-6-13(9-12)26-2/h4-11H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413289
PNG
(CHEMBL461989)
Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Oc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C17H13ClN2O4S/c1-25(22,23)12-5-6-15-13(8-12)16(14(9-20-15)17(19)21)24-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,21)
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413287
PNG
(CHEMBL464615)
Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(c3)C(O)=O)c2c1
Show InChI InChI=1S/C18H15N3O5S/c1-27(25,26)12-5-6-15-13(8-12)16(14(9-20-15)17(19)22)21-11-4-2-3-10(7-11)18(23)24/h2-9H,1H3,(H2,19,22)(H,20,21)(H,23,24)
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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413295
PNG
(CHEMBL473355)
Show SMILES COc1cccc(Nc2cc(nc3ccc(cc23)S(C)(=O)=O)C(N)=O)c1
Show InChI InChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)20-16-10-17(18(19)22)21-15-7-6-13(9-14(15)16)26(2,23)24/h3-10H,1-2H3,(H2,19,22)(H,20,21)
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n/an/a 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413304
PNG
(CHEMBL473551)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccccc2)C(O)=O)c1
Show InChI InChI=1S/C23H18N2O5S/c1-30-16-7-5-6-15(12-16)25-22-19-13-18(31(28,29)17-8-3-2-4-9-17)10-11-21(19)24-14-20(22)23(26)27/h2-14H,1H3,(H,24,25)(H,26,27)
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n/an/a 1.26E+4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413305
PNG
(CHEMBL473153)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(C)(=O)=O)-c2nc(C)no2)c1
Show InChI InChI=1S/C20H18N4O4S/c1-12-22-20(28-24-12)17-11-21-18-8-7-15(29(3,25)26)10-16(18)19(17)23-13-5-4-6-14(9-13)27-2/h4-11H,1-3H3,(H,21,23)
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n/an/a 1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413302
PNG
(CHEMBL461990)
Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Sc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C17H13ClN2O3S2/c1-25(22,23)12-5-6-15-13(8-12)16(14(9-20-15)17(19)21)24-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,21)
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n/an/a 2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413294
PNG
(CHEMBL473152)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(C)(=O)=O)-c2nnc(C)o2)c1
Show InChI InChI=1S/C20H18N4O4S/c1-12-23-24-20(28-12)17-11-21-18-8-7-15(29(3,25)26)10-16(18)19(17)22-13-5-4-6-14(9-13)27-2/h4-11H,1-3H3,(H,21,22)
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n/an/a 2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413283
PNG
(CHEMBL462151)
Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(NC3CCOCC3)c2c1
Show InChI InChI=1S/C16H19N3O4S/c1-24(21,22)11-2-3-14-12(8-11)15(13(9-18-14)16(17)20)19-10-4-6-23-7-5-10/h2-3,8-10H,4-7H2,1H3,(H2,17,20)(H,18,19)
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n/an/a>3.16E+4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413284
PNG
(CHEMBL462152)
Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(N)c2c1
Show InChI InChI=1S/C11H11N3O3S/c1-18(16,17)6-2-3-9-7(4-6)10(12)8(5-14-9)11(13)15/h2-5H,1H3,(H2,12,14)(H2,13,15)
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n/an/a>3.16E+4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair