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PubMed code 20378348

Compile data set for download or QSAR
Found 21 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))
BDBM50317611
PNG
(4-(3,5-dichloropyridin-4-ylamino)-8-(3-(dimethylam...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCN(C)C
Show InChI InChI=1S/C20H21Cl2N3O4/c1-25(2)7-4-8-28-20-16(27-3)6-5-12-15(9-17(26)29-19(12)20)24-18-13(21)10-23-11-14(18)22/h5-6,9-11H,4,7-8H2,1-3H3,(H,23,24)
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n/an/a 1n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317609
PNG
(8-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCC(O)=O
Show InChI InChI=1S/C23H24Cl2N2O6/c1-31-18-9-8-14-17(27-21-15(24)12-26-13-16(21)25)11-20(30)33-22(14)23(18)32-10-6-4-2-3-5-7-19(28)29/h8-9,11-13H,2-7,10H2,1H3,(H,26,27)(H,28,29)
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Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317610
PNG
(9-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCCC(O)=O
Show InChI InChI=1S/C24H26Cl2N2O6/c1-32-19-10-9-15-18(28-22-16(25)13-27-14-17(22)26)12-21(31)34-23(15)24(19)33-11-7-5-3-2-4-6-8-20(29)30/h9-10,12-14H,2-8,11H2,1H3,(H,27,28)(H,29,30)
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Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317616
PNG
(4-(3,5-dichloropyridin-4-ylamino)-8-(8-(dimethylam...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCCN(C)C
Show InChI InChI=1S/C25H31Cl2N3O4/c1-30(2)12-8-6-4-5-7-9-13-33-25-21(32-3)11-10-17-20(14-22(31)34-24(17)25)29-23-18(26)15-28-16-19(23)27/h10-11,14-16H,4-9,12-13H2,1-3H3,(H,28,29)
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Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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n/an/a 2n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317615
PNG
(4-(3,5-dichloropyridin-4-ylamino)-8-(7-(dimethylam...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCN(C)C
Show InChI InChI=1S/C24H29Cl2N3O4/c1-29(2)11-7-5-4-6-8-12-32-24-20(31-3)10-9-16-19(13-21(30)33-23(16)24)28-22-17(25)14-27-15-18(22)26/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,27,28)
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n/an/a 3n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317614
PNG
(4-(3,5-dichloropyridin-4-ylamino)-8-(6-(dimethylam...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCN(C)C
Show InChI InChI=1S/C23H27Cl2N3O4/c1-28(2)10-6-4-5-7-11-31-23-19(30-3)9-8-15-18(12-20(29)32-22(15)23)27-21-16(24)13-26-14-17(21)25/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,26,27)
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n/an/a 5n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317604
PNG
(2-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCC(O)=O
Show InChI InChI=1S/C17H12Cl2N2O6/c1-25-12-3-2-8-11(21-15-9(18)5-20-6-10(15)19)4-14(24)27-16(8)17(12)26-7-13(22)23/h2-6H,7H2,1H3,(H,20,21)(H,22,23)
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n/an/a 5n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317603
PNG
(8-(cyclopentyloxy)-4-(3,5-dichloropyridin-4-ylamin...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OC1CCCC1
Show InChI InChI=1S/C20H18Cl2N2O4/c1-26-16-7-6-12-15(24-18-13(21)9-23-10-14(18)22)8-17(25)28-19(12)20(16)27-11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H,23,24)
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n/an/a 5n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317608
PNG
(7-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCC(O)=O
Show InChI InChI=1S/C22H22Cl2N2O6/c1-30-17-8-7-13-16(26-20-14(23)11-25-12-15(20)24)10-19(29)32-21(13)22(17)31-9-5-3-2-4-6-18(27)28/h7-8,10-12H,2-6,9H2,1H3,(H,25,26)(H,27,28)
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n/an/a 17n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317613
PNG
(4-(3,5-dichloropyridin-4-ylamino)-8-(5-(dimethylam...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCN(C)C
Show InChI InChI=1S/C22H25Cl2N3O4/c1-27(2)9-5-4-6-10-30-22-18(29-3)8-7-14-17(11-19(28)31-21(14)22)26-20-15(23)12-25-13-16(20)24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,25,26)
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n/an/a 21n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317607
PNG
(6-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCC(O)=O
Show InChI InChI=1S/C21H20Cl2N2O6/c1-29-16-7-6-12-15(25-19-13(22)10-24-11-14(19)23)9-18(28)31-20(12)21(16)30-8-4-2-3-5-17(26)27/h6-7,9-11H,2-5,8H2,1H3,(H,24,25)(H,26,27)
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n/an/a 43n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317612
PNG
(4-(3,5-dichloropyridin-4-ylamino)-8-(4-(dimethylam...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCN(C)C
Show InChI InChI=1S/C21H23Cl2N3O4/c1-26(2)8-4-5-9-29-21-17(28-3)7-6-13-16(10-18(27)30-20(13)21)25-19-14(22)11-24-12-15(19)23/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,24,25)
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n/an/a 45n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317606
PNG
(5-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCC(O)=O
Show InChI InChI=1S/C20H18Cl2N2O6/c1-28-15-6-5-11-14(24-18-12(21)9-23-10-13(18)22)8-17(27)30-19(11)20(15)29-7-3-2-4-16(25)26/h5-6,8-10H,2-4,7H2,1H3,(H,23,24)(H,25,26)
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Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50092350
PNG
((5-Cyclopentyloxy-6-methoxy-phthalazin-1-yl)-(3,5-...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
Show InChI InChI=1S/C19H18Cl2N4O2/c1-26-16-7-6-12-13(18(16)27-11-4-2-3-5-11)8-23-25-19(12)24-17-14(20)9-22-10-15(17)21/h6-11H,2-5H2,1H3,(H,22,24,25)
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Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317599
PNG
(5-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-6-...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)nccc2c1OC1CCCC1
Show InChI InChI=1S/C20H19Cl2N3O2/c1-26-17-7-6-14-13(19(17)27-12-4-2-3-5-12)8-9-24-20(14)25-18-15(21)10-23-11-16(18)22/h6-12H,2-5H2,1H3,(H,23,24,25)
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n/an/a 500n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317605
PNG
(4-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCC(O)=O
Show InChI InChI=1S/C19H16Cl2N2O6/c1-27-14-5-4-10-13(23-17-11(20)8-22-9-12(17)21)7-16(26)29-18(10)19(14)28-6-2-3-15(24)25/h4-5,7-9H,2-3,6H2,1H3,(H,22,23)(H,24,25)
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n/an/a 1.18E+3n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317600
PNG
(8-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-7-...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)ncnc2c1OC1CCCC1
Show InChI InChI=1S/C19H18Cl2N4O2/c1-26-15-7-6-12-16(18(15)27-11-4-2-3-5-11)23-10-24-19(12)25-17-13(20)8-22-9-14(17)21/h6-11H,2-5H2,1H3,(H,22,23,24,25)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317598
PNG
(8-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-7-...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)ccnc2c1OC1CCCC1
Show InChI InChI=1S/C20H19Cl2N3O2/c1-26-17-7-6-13-16(25-19-14(21)10-23-11-15(19)22)8-9-24-18(13)20(17)27-12-4-2-3-5-12/h6-12H,2-5H2,1H3,(H,23,24,25)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317601
PNG
(3,5-dichloro-N-(7-(cyclopentyloxy)-6-methoxybenzof...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)coc2c1OC1CCCC1
Show InChI InChI=1S/C19H18Cl2N2O3/c1-24-16-7-6-12-15(23-17-13(20)8-22-9-14(17)21)10-25-18(12)19(16)26-11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H,22,23)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50317602
PNG
(3,5-dichloro-N-(8-(cyclopentyloxy)-7-methoxychroma...)
Show SMILES COc1ccc2C(CCOc2c1OC1CCCC1)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C20H22Cl2N2O3/c1-25-17-7-6-13-16(24-18-14(21)10-23-11-15(18)22)8-9-26-19(13)20(17)27-12-4-2-3-5-12/h6-7,10-12,16H,2-5,8-9H2,1H3,(H,23,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr


Bioorg Med Chem Lett 20: 2928-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%