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Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'lipinski' and Initial = 'kk'   
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))
BDBM50314557
PNG
((4-(3-(4-(3-nitrophenyl)pyridazino[4,5-b]indolizin...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nnc(NCCCN2CCN(CC2)C(=O)c2cnccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C28H27N9O3/c38-28(24-19-29-9-10-30-24)35-15-13-34(14-16-35)11-4-8-31-27-23-18-21-6-1-2-12-36(21)26(23)25(32-33-27)20-5-3-7-22(17-20)37(39)40/h1-3,5-7,9-10,12,17-19H,4,8,11,13-16H2,(H,31,33)
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5.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314558
PNG
((4-(3-(4-phenylpyridazino[4,5-b]indolizin-1-ylamin...)
Show SMILES O=C(N1CCN(CCCNc2nnc(-c3ccccc3)c3c2cc2ccccn32)CC1)c1cnccn1
Show InChI InChI=1S/C28H28N8O/c37-28(24-20-29-11-12-30-24)35-17-15-34(16-18-35)13-6-10-31-27-23-19-22-9-4-5-14-36(22)26(23)25(32-33-27)21-7-2-1-3-8-21/h1-5,7-9,11-12,14,19-20H,6,10,13,15-18H2,(H,31,33)
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41n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314583
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3cnccn3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C26H29N9O3/c1-18-15-21-24(32(18)2)23(19-5-3-6-20(16-19)35(37)38)30-31-25(21)29-7-4-10-33-11-13-34(14-12-33)26(36)22-17-27-8-9-28-22/h3,5-6,8-9,15-17H,4,7,10-14H2,1-2H3,(H,29,31)
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77n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314557
PNG
((4-(3-(4-(3-nitrophenyl)pyridazino[4,5-b]indolizin...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nnc(NCCCN2CCN(CC2)C(=O)c2cnccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C28H27N9O3/c38-28(24-19-29-9-10-30-24)35-15-13-34(14-16-35)11-4-8-31-27-23-18-21-6-1-2-12-36(21)26(23)25(32-33-27)20-5-3-7-22(17-20)37(39)40/h1-3,5-7,9-10,12,17-19H,4,8,11,13-16H2,(H,31,33)
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147n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314564
PNG
(4-(3-nitrophenyl)-N-(3-(4-(pyrimidin-2-yl)piperazi...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nnc(NCCCN2CCN(CC2)c2ncccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C27H27N9O2/c37-36(38)22-8-3-6-20(18-22)24-25-23(19-21-7-1-2-13-35(21)25)26(32-31-24)28-11-5-12-33-14-16-34(17-15-33)27-29-9-4-10-30-27/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H,28,32)
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210n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314581
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3cncs3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C25H28N8O3S/c1-17-13-20-23(30(17)2)22(18-5-3-6-19(14-18)33(35)36)28-29-24(20)27-7-4-8-31-9-11-32(12-10-31)25(34)21-15-26-16-37-21/h3,5-6,13-16H,4,7-12H2,1-2H3,(H,27,29)
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222n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314578
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3ccccn3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C27H30N8O3/c1-19-17-22-25(32(19)2)24(20-7-5-8-21(18-20)35(37)38)30-31-26(22)29-11-6-12-33-13-15-34(16-14-33)27(36)23-9-3-4-10-28-23/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,29,31)
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238n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314571
PNG
((4-(3-(4-(3-fluorophenyl)pyridazino[4,5-b]indolizi...)
Show SMILES Fc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)C(=O)c2ccccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C29H28FN7O/c30-22-8-5-7-21(19-22)26-27-24(20-23-9-2-4-14-37(23)27)28(34-33-26)32-12-6-13-35-15-17-36(18-16-35)29(38)25-10-1-3-11-31-25/h1-5,7-11,14,19-20H,6,12-13,15-18H2,(H,32,34)
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241n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314570
PNG
((4-(3-(4-(3-fluorophenyl)pyridazino[4,5-b]indolizi...)
Show SMILES Fc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)C(=O)c2cccnc2)c2cc3ccccn3c12
Show InChI InChI=1S/C29H28FN7O/c30-23-8-3-6-21(18-23)26-27-25(19-24-9-1-2-13-37(24)27)28(34-33-26)32-11-5-12-35-14-16-36(17-15-35)29(38)22-7-4-10-31-20-22/h1-4,6-10,13,18-20H,5,11-12,14-17H2,(H,32,34)
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413n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314577
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3cccnc3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C27H30N8O3/c1-19-16-23-25(32(19)2)24(20-6-3-8-22(17-20)35(37)38)30-31-26(23)29-10-5-11-33-12-14-34(15-13-33)27(36)21-7-4-9-28-18-21/h3-4,6-9,16-18H,5,10-15H2,1-2H3,(H,29,31)
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432n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314580
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3c[s+]n[n-]3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C24H27N9O3S/c1-16-13-19-22(30(16)2)21(17-5-3-6-18(14-17)33(35)36)27-28-23(19)25-7-4-8-31-9-11-32(12-10-31)24(34)20-15-37-29-26-20/h3,5-6,13-15H,4,7-12H2,1-2H3,(H-,25,26,28,29,34)
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977n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314575
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3ncccn3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C26H29N9O3/c1-18-16-21-23(32(18)2)22(19-6-3-7-20(17-19)35(37)38)30-31-24(21)27-10-5-11-33-12-14-34(15-13-33)26(36)25-28-8-4-9-29-25/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,27,31)
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1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314563
PNG
(3-(1-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propylam...)
Show SMILES N#Cc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)c2ncccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C28H27N9/c29-20-21-6-3-7-22(18-21)25-26-24(19-23-8-1-2-13-37(23)26)27(34-33-25)30-11-5-12-35-14-16-36(17-15-35)28-31-9-4-10-32-28/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H,30,34)
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1.03E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314560
PNG
(4-(3-bromophenyl)-N-(3-(4-(pyrimidin-2-yl)piperazi...)
Show SMILES Brc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)c2ncccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C27H27BrN8/c28-21-7-3-6-20(18-21)24-25-23(19-22-8-1-2-13-36(22)25)26(33-32-24)29-11-5-12-34-14-16-35(17-15-34)27-30-9-4-10-31-27/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H,29,33)
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1.44E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314565
PNG
(1-(4-(3-(4-(3-fluorophenyl)pyridazino[4,5-b]indoli...)
Show SMILES CC(=O)N1CCN(CCCNc2nnc(-c3cccc(F)c3)c3c2cc2ccccn32)CC1
Show InChI InChI=1S/C25H27FN6O/c1-18(33)31-14-12-30(13-15-31)10-5-9-27-25-22-17-21-8-2-3-11-32(21)24(22)23(28-29-25)19-6-4-7-20(26)16-19/h2-4,6-8,11,16-17H,5,9-10,12-15H2,1H3,(H,27,29)
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1.90E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314561
PNG
(4-(3-chlorophenyl)-N-(3-(4-(pyrimidin-2-yl)piperaz...)
Show SMILES Clc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)c2ncccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C27H27ClN8/c28-21-7-3-6-20(18-21)24-25-23(19-22-8-1-2-13-36(22)25)26(33-32-24)29-11-5-12-34-14-16-35(17-15-34)27-30-9-4-10-31-27/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H,29,33)
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2.01E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314564
PNG
(4-(3-nitrophenyl)-N-(3-(4-(pyrimidin-2-yl)piperazi...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nnc(NCCCN2CCN(CC2)c2ncccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C27H27N9O2/c37-36(38)22-8-3-6-20(18-22)24-25-23(19-21-7-1-2-13-35(21)25)26(32-31-24)28-11-5-12-33-14-16-34(17-15-33)27-29-9-4-10-30-27/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H,28,32)
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2.40E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314556
PNG
(4-phenyl-N-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)pr...)
Show SMILES C(CNc1nnc(-c2ccccc2)c2c1cc1ccccn21)CN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C27H28N8/c1-2-8-21(9-3-1)24-25-23(20-22-10-4-5-15-35(22)25)26(32-31-24)28-13-7-14-33-16-18-34(19-17-33)27-29-11-6-12-30-27/h1-6,8-12,15,20H,7,13-14,16-19H2,(H,28,32)
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2.60E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314562
PNG
(4-(3-fluorophenyl)-N-(3-(4-(pyrimidin-2-yl)piperaz...)
Show SMILES Fc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)c2ncccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C27H27FN8/c28-21-7-3-6-20(18-21)24-25-23(19-22-8-1-2-13-36(22)25)26(33-32-24)29-11-5-12-34-14-16-35(17-15-34)27-30-9-4-10-31-27/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H,29,33)
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2.70E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314568
PNG
((4-(3-(4-(3-fluorophenyl)pyridazino[4,5-b]indolizi...)
Show SMILES Fc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)C(=O)c2ccccc2)c2cc3ccccn3c12
Show InChI InChI=1S/C30H29FN6O/c31-24-11-6-10-23(20-24)27-28-26(21-25-12-4-5-15-37(25)28)29(34-33-27)32-13-7-14-35-16-18-36(19-17-35)30(38)22-8-2-1-3-9-22/h1-6,8-12,15,20-21H,7,13-14,16-19H2,(H,32,34)
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2.70E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314563
PNG
(3-(1-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propylam...)
Show SMILES N#Cc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)c2ncccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C28H27N9/c29-20-21-6-3-7-22(18-21)25-26-24(19-23-8-1-2-13-37(23)26)27(34-33-25)30-11-5-12-35-14-16-36(17-15-35)28-31-9-4-10-32-28/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H,30,34)
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3.35E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314559
PNG
(CHEMBL1091807 | N-(3-(4-(pyrimidin-2-yl)piperazin-...)
Show SMILES Cc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)c2ncccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C28H30N8/c1-21-7-4-8-22(19-21)25-26-24(20-23-9-2-3-14-36(23)26)27(33-32-25)29-12-6-13-34-15-17-35(18-16-34)28-30-10-5-11-31-28/h2-5,7-11,14,19-20H,6,12-13,15-18H2,1H3,(H,29,33)
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4.30E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314574
PNG
((4-(3-(7-(3-fluorophenyl)-1,2-dimethyl-1H-pyrrolo[...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3ncccn3)nnc(-c3cccc(F)c3)c2n1C
Show InChI InChI=1S/C26H29FN8O/c1-18-16-21-23(33(18)2)22(19-6-3-7-20(27)17-19)31-32-24(21)28-10-5-11-34-12-14-35(15-13-34)26(36)25-29-8-4-9-30-25/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,28,32)
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4.40E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314582
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3ccnnc3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C26H29N9O3/c1-18-15-22-24(32(18)2)23(19-5-3-6-21(16-19)35(37)38)30-31-25(22)27-8-4-10-33-11-13-34(14-12-33)26(36)20-7-9-28-29-17-20/h3,5-7,9,15-17H,4,8,10-14H2,1-2H3,(H,27,31)
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4.44E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314583
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3cnccn3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C26H29N9O3/c1-18-15-21-24(32(18)2)23(19-5-3-6-20(16-19)35(37)38)30-31-25(21)29-7-4-10-33-11-13-34(14-12-33)26(36)22-17-27-8-9-28-22/h3,5-6,8-9,15-17H,4,7,10-14H2,1-2H3,(H,29,31)
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4.44E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314566
PNG
(1-(4-(3-(4-(3-fluorophenyl)pyridazino[4,5-b]indoli...)
Show SMILES CCC(=O)N1CCN(CCCNc2nnc(-c3cccc(F)c3)c3c2cc2ccccn32)CC1
Show InChI InChI=1S/C26H29FN6O/c1-2-23(34)32-15-13-31(14-16-32)11-6-10-28-26-22-18-21-9-3-4-12-33(21)25(22)24(29-30-26)19-7-5-8-20(27)17-19/h3-5,7-9,12,17-18H,2,6,10-11,13-16H2,1H3,(H,28,30)
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4.90E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314579
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3cc[n-][o+]3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C25H28N8O4/c1-17-15-20-23(30(17)2)22(18-5-3-6-19(16-18)33(35)36)28-29-24(20)26-8-4-10-31-11-13-32(14-12-31)25(34)21-7-9-27-37-21/h3,5-7,9,15-16H,4,8,10-14H2,1-2H3,(H,26,29)
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5.08E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314569
PNG
((4-(3-(4-(3-fluorophenyl)pyridazino[4,5-b]indolizi...)
Show SMILES Cn1cccc1C(=O)N1CCN(CCCNc2nnc(-c3cccc(F)c3)c3c2cc2ccccn32)CC1
Show InChI InChI=1S/C29H30FN7O/c1-34-12-5-10-25(34)29(38)36-17-15-35(16-18-36)13-6-11-31-28-24-20-23-9-2-3-14-37(23)27(24)26(32-33-28)21-7-4-8-22(30)19-21/h2-5,7-10,12,14,19-20H,6,11,13,15-18H2,1H3,(H,31,33)
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5.20E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314573
PNG
((4-(3-(7-(3-chlorophenyl)-1,2-dimethyl-1H-pyrrolo[...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3ncccn3)nnc(-c3cccc(Cl)c3)c2n1C
Show InChI InChI=1S/C26H29ClN8O/c1-18-16-21-23(33(18)2)22(19-6-3-7-20(27)17-19)31-32-24(21)28-10-5-11-34-12-14-35(15-13-34)26(36)25-29-8-4-9-30-25/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,28,32)
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5.50E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314558
PNG
((4-(3-(4-phenylpyridazino[4,5-b]indolizin-1-ylamin...)
Show SMILES O=C(N1CCN(CCCNc2nnc(-c3ccccc3)c3c2cc2ccccn32)CC1)c1cnccn1
Show InChI InChI=1S/C28H28N8O/c37-28(24-20-29-11-12-30-24)35-17-15-34(16-18-35)13-6-10-31-27-23-19-22-9-4-5-14-36(22)26(23)25(32-33-27)21-7-2-1-3-8-21/h1-5,7-9,11-12,14,19-20H,6,10,13,15-18H2,(H,31,33)
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8.37E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314578
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3ccccn3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C27H30N8O3/c1-19-17-22-25(32(19)2)24(20-7-5-8-21(18-20)35(37)38)30-31-26(22)29-11-6-12-33-13-15-34(16-14-33)27(36)23-9-3-4-10-28-23/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,29,31)
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1.15E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314581
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3cncs3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C25H28N8O3S/c1-17-13-20-23(30(17)2)22(18-5-3-6-19(14-18)33(35)36)28-29-24(20)27-7-4-8-31-9-11-32(12-10-31)25(34)21-15-26-16-37-21/h3,5-6,13-16H,4,7-12H2,1-2H3,(H,27,29)
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1.27E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314567
PNG
(CHEMBL1090031 | cyclopentyl(4-(3-(4-(3-fluoropheny...)
Show SMILES Fc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)C(=O)C2CCCC2)c2cc3ccccn3c12
Show InChI InChI=1S/C29H33FN6O/c30-23-10-5-9-22(19-23)26-27-25(20-24-11-3-4-14-36(24)27)28(33-32-26)31-12-6-13-34-15-17-35(18-16-34)29(37)21-7-1-2-8-21/h3-5,9-11,14,19-21H,1-2,6-8,12-13,15-18H2,(H,31,33)
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1.40E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314561
PNG
(4-(3-chlorophenyl)-N-(3-(4-(pyrimidin-2-yl)piperaz...)
Show SMILES Clc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)c2ncccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C27H27ClN8/c28-21-7-3-6-20(18-21)24-25-23(19-22-8-1-2-13-36(22)25)26(33-32-24)29-11-5-12-34-14-16-35(17-15-34)27-30-9-4-10-31-27/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H,29,33)
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1.42E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314577
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3cccnc3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C27H30N8O3/c1-19-16-23-25(32(19)2)24(20-6-3-8-22(17-20)35(37)38)30-31-26(23)29-10-5-11-33-12-14-34(15-13-33)27(36)21-7-4-9-28-18-21/h3-4,6-9,16-18H,5,10-15H2,1-2H3,(H,29,31)
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1.53E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314560
PNG
(4-(3-bromophenyl)-N-(3-(4-(pyrimidin-2-yl)piperazi...)
Show SMILES Brc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)c2ncccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C27H27BrN8/c28-21-7-3-6-20(18-21)24-25-23(19-22-8-1-2-13-36(22)25)26(33-32-24)29-11-5-12-34-14-16-35(17-15-34)27-30-9-4-10-31-27/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H,29,33)
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1.75E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314571
PNG
((4-(3-(4-(3-fluorophenyl)pyridazino[4,5-b]indolizi...)
Show SMILES Fc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)C(=O)c2ccccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C29H28FN7O/c30-22-8-5-7-21(19-22)26-27-24(20-23-9-2-4-14-37(23)27)28(34-33-26)32-12-6-13-35-15-17-36(18-16-35)29(38)25-10-1-3-11-31-25/h1-5,7-11,14,19-20H,6,12-13,15-18H2,(H,32,34)
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1.80E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314570
PNG
((4-(3-(4-(3-fluorophenyl)pyridazino[4,5-b]indolizi...)
Show SMILES Fc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)C(=O)c2cccnc2)c2cc3ccccn3c12
Show InChI InChI=1S/C29H28FN7O/c30-23-8-3-6-21(18-23)26-27-25(19-24-9-1-2-13-37(24)27)28(34-33-26)32-11-5-12-35-14-16-36(17-15-35)29(38)22-7-4-10-31-20-22/h1-4,6-10,13,18-20H,5,11-12,14-17H2,(H,32,34)
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1.90E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314568
PNG
((4-(3-(4-(3-fluorophenyl)pyridazino[4,5-b]indolizi...)
Show SMILES Fc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)C(=O)c2ccccc2)c2cc3ccccn3c12
Show InChI InChI=1S/C30H29FN6O/c31-24-11-6-10-23(20-24)27-28-26(21-25-12-4-5-15-37(25)28)29(34-33-27)32-13-7-14-35-16-18-36(19-17-35)30(38)22-8-2-1-3-9-22/h1-6,8-12,15,20-21H,7,13-14,16-19H2,(H,32,34)
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2.22E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314572
PNG
((4-(3-(1,2-dimethyl-7-phenyl-1H-pyrrolo[3,2-d]pyri...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3ncccn3)nnc(-c3ccccc3)c2n1C
Show InChI InChI=1S/C26H30N8O/c1-19-18-21-23(32(19)2)22(20-8-4-3-5-9-20)30-31-24(21)27-12-7-13-33-14-16-34(17-15-33)26(35)25-28-10-6-11-29-25/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,27,31)
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2.62E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314580
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3c[s+]n[n-]3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C24H27N9O3S/c1-16-13-19-22(30(16)2)21(17-5-3-6-18(14-17)33(35)36)27-28-23(19)25-7-4-8-31-9-11-32(12-10-31)24(34)20-15-37-29-26-20/h3,5-6,13-15H,4,7-12H2,1-2H3,(H-,25,26,28,29,34)
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4.86E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314582
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3ccnnc3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C26H29N9O3/c1-18-15-22-24(32(18)2)23(19-5-3-6-21(16-19)35(37)38)30-31-25(22)27-8-4-10-33-11-13-34(14-12-33)26(36)20-7-9-28-29-17-20/h3,5-7,9,15-17H,4,8,10-14H2,1-2H3,(H,27,31)
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5.12E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314576
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3ccncc3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C27H30N8O3/c1-19-17-23-25(32(19)2)24(21-5-3-6-22(18-21)35(37)38)30-31-26(23)29-9-4-12-33-13-15-34(16-14-33)27(36)20-7-10-28-11-8-20/h3,5-8,10-11,17-18H,4,9,12-16H2,1-2H3,(H,29,31)
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5.22E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314559
PNG
(CHEMBL1091807 | N-(3-(4-(pyrimidin-2-yl)piperazin-...)
Show SMILES Cc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)c2ncccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C28H30N8/c1-21-7-4-8-22(19-21)25-26-24(20-23-9-2-3-14-36(23)26)27(33-32-25)29-12-6-13-34-15-17-35(18-16-34)28-30-10-5-11-31-28/h2-5,7-11,14,19-20H,6,12-13,15-18H2,1H3,(H,29,33)
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5.44E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314556
PNG
(4-phenyl-N-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)pr...)
Show SMILES C(CNc1nnc(-c2ccccc2)c2c1cc1ccccn21)CN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C27H28N8/c1-2-8-21(9-3-1)24-25-23(20-22-10-4-5-15-35(22)25)26(32-31-24)28-13-7-14-33-16-18-34(19-17-33)27-29-11-6-12-30-27/h1-6,8-12,15,20H,7,13-14,16-19H2,(H,28,32)
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5.90E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314567
PNG
(CHEMBL1090031 | cyclopentyl(4-(3-(4-(3-fluoropheny...)
Show SMILES Fc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)C(=O)C2CCCC2)c2cc3ccccn3c12
Show InChI InChI=1S/C29H33FN6O/c30-23-10-5-9-22(19-23)26-27-25(20-24-11-3-4-14-36(24)27)28(33-32-26)31-12-6-13-34-15-17-35(18-16-34)29(37)21-7-1-2-8-21/h3-5,9-11,14,19-21H,1-2,6-8,12-13,15-18H2,(H,31,33)
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6.10E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314569
PNG
((4-(3-(4-(3-fluorophenyl)pyridazino[4,5-b]indolizi...)
Show SMILES Cn1cccc1C(=O)N1CCN(CCCNc2nnc(-c3cccc(F)c3)c3c2cc2ccccn32)CC1
Show InChI InChI=1S/C29H30FN7O/c1-34-12-5-10-25(34)29(38)36-17-15-35(16-18-36)13-6-11-31-28-24-20-23-9-2-3-14-37(23)27(24)26(32-33-28)21-7-4-8-22(30)19-21/h2-5,7-10,12,14,19-20H,6,11,13,15-18H2,1H3,(H,31,33)
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6.50E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314573
PNG
((4-(3-(7-(3-chlorophenyl)-1,2-dimethyl-1H-pyrrolo[...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3ncccn3)nnc(-c3cccc(Cl)c3)c2n1C
Show InChI InChI=1S/C26H29ClN8O/c1-18-16-21-23(33(18)2)22(19-6-3-7-20(27)17-19)31-32-24(21)28-10-5-11-34-12-14-35(15-13-34)26(36)25-29-8-4-9-30-25/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,28,32)
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8.09E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314562
PNG
(4-(3-fluorophenyl)-N-(3-(4-(pyrimidin-2-yl)piperaz...)
Show SMILES Fc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)c2ncccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C27H27FN8/c28-21-7-3-6-20(18-21)24-25-23(19-22-8-1-2-13-36(22)25)26(33-32-24)29-11-5-12-34-14-16-35(17-15-34)27-30-9-4-10-31-27/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H,29,33)
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8.30E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314579
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3cc[n-][o+]3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C25H28N8O4/c1-17-15-20-23(30(17)2)22(18-5-3-6-19(16-18)33(35)36)28-29-24(20)26-8-4-10-31-11-13-32(14-12-31)25(34)21-7-9-27-37-21/h3,5-7,9,15-16H,4,8,10-14H2,1-2H3,(H,26,29)
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>1.00E+5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
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