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Compile Data Set for Download or QSAR

Found 140 hits with Last Name = 'brackeen' and Initial = 'mf'   
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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085044
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50418564
PNG
(CHEMBL423026)
Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H29N3O5/c1-35(32-34-27-13-7-8-14-29(27)40-32)19-20-39-24-17-15-22(16-18-24)21-28(31(37)38)33-26-12-6-5-11-25(26)30(36)23-9-3-2-4-10-23/h2-18,28,33H,19-21H2,1H3,(H,37,38)/t28-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50418568
PNG
(CHEMBL146822)
Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2C(=O)Cc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C33H31N3O5/c1-36(33-35-28-13-7-8-14-31(28)41-33)19-20-40-25-17-15-24(16-18-25)21-29(32(38)39)34-27-12-6-5-11-26(27)30(37)22-23-9-3-2-4-10-23/h2-18,29,34H,19-22H2,1H3,(H,38,39)
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3.30n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50000012
PNG
(CHEMBL147826)
Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2Oc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C31H29N3O5/c1-34(31-33-26-12-6-8-14-29(26)39-31)19-20-37-23-17-15-22(16-18-23)21-27(30(35)36)32-25-11-5-7-13-28(25)38-24-9-3-2-4-10-24/h2-18,27,32H,19-21H2,1H3,(H,35,36)
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3.70n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50064451
PNG
(5-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...)
Show SMILES Cc1oc(nc1CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c1-14-18(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-19-20(25)24-22(26)29-19/h2-10,25H,11-13H2,1H3,(H,24,26)
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4.30n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50418575
PNG
(CHEMBL358137)
Show SMILES CN(CCOc1ccc(CC(Nc2cccc3C(=O)c4ccccc4C(=O)c23)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C33H27N3O6/c1-36(33-35-25-10-4-5-12-28(25)42-33)17-18-41-21-15-13-20(14-16-21)19-27(32(39)40)34-26-11-6-9-24-29(26)31(38)23-8-3-2-7-22(23)30(24)37/h2-16,27,34H,17-19H2,1H3,(H,39,40)
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5.10n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50418563
PNG
(CHEMBL148301)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(C[C@H](Nc4ccccc4C(=O)c4ccccc4)C(O)=O)cc3)CCc2c(C)c1O
Show InChI InChI=1S/C36H37NO6/c1-22-23(2)34-28(24(3)32(22)38)18-19-36(4,43-34)21-42-27-16-14-25(15-17-27)20-31(35(40)41)37-30-13-9-8-12-29(30)33(39)26-10-6-5-7-11-26/h5-17,31,37-38H,18-21H2,1-4H3,(H,40,41)/t31-,36?/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50418571
PNG
(CHEMBL346219)
Show SMILES CCc1ccc(CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(O)=O)cc2)nc1
Show InChI InChI=1S/C31H30N2O4/c1-2-22-12-15-25(32-21-22)18-19-37-26-16-13-23(14-17-26)20-29(31(35)36)33-28-11-7-6-10-27(28)30(34)24-8-4-3-5-9-24/h3-17,21,29,33H,2,18-20H2,1H3,(H,35,36)/t29-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50418557
PNG
(CHEMBL1785028)
Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r,w:1.0|
Show InChI InChI=1S/C26H25NO4/c1-19(16-25(28)22-10-6-3-7-11-22)27-24(26(29)30)17-20-12-14-23(15-13-20)31-18-21-8-4-2-5-9-21/h2-15,24H,16-18H2,1H3,(H,29,30)/t24-/m0/s1
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12n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50418557
PNG
(CHEMBL1785028)
Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r,w:1.0|
Show InChI InChI=1S/C26H25NO4/c1-19(16-25(28)22-10-6-3-7-11-22)27-24(26(29)30)17-20-12-14-23(15-13-20)31-18-21-8-4-2-5-9-21/h2-15,24H,16-18H2,1H3,(H,29,30)/t24-/m0/s1
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12n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029954
PNG
((7R,7aS)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-hex...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@@H]1CNC2=O
Show InChI InChI=1S/C18H24N2O3/c1-22-16-7-6-12(10-17(16)23-13-4-2-3-5-13)14-8-9-20-15(14)11-19-18(20)21/h6-7,10,13-15H,2-5,8-9,11H2,1H3,(H,19,21)/t14-,15-/m1/s1
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27n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50049244
PNG
(5-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-be...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C20H19N3O4S/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,24H,10-12H2,1H3,(H,22,25)
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27n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50000010
PNG
(CHEMBL146614)
Show SMILES CN(CCOc1ccc(CC(NCc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C33H31N3O5/c1-36(33-35-28-13-7-8-14-30(28)41-33)19-20-40-26-17-15-23(16-18-26)21-29(32(38)39)34-22-25-11-5-6-12-27(25)31(37)24-9-3-2-4-10-24/h2-18,29,34H,19-22H2,1H3,(H,38,39)
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28n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470745
PNG
(CHEMBL286840)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C21H31NO4/c1-21(2,3)26-20(23)22-12-11-16(14-22)15-9-10-18(24-4)19(13-15)25-17-7-5-6-8-17/h9-10,13,16-17H,5-8,11-12,14H2,1-4H3
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30n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50418573
PNG
(CHEMBL147694)
Show SMILES CN(CCOc1ccc(CC(Oc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H28N2O6/c1-34(32-33-26-12-6-8-14-28(26)40-32)19-20-38-24-17-15-22(16-18-24)21-29(31(36)37)39-27-13-7-5-11-25(27)30(35)23-9-3-2-4-10-23/h2-18,29H,19-21H2,1H3,(H,36,37)
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32n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50418566
PNG
(CHEMBL146322)
Show SMILES CN(CCOc1ccc(CC(Sc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H28N2O5S/c1-34(32-33-26-12-6-7-13-27(26)39-32)19-20-38-24-17-15-22(16-18-24)21-29(31(36)37)40-28-14-8-5-11-25(28)30(35)23-9-3-2-4-10-23/h2-18,29H,19-21H2,1H3,(H,36,37)
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33n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470752
PNG
(CHEMBL38328)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C23H27NO4/c1-26-21-12-11-17(15-22(21)27-19-9-5-6-10-19)18-13-14-24(16-18)23(25)28-20-7-3-2-4-8-20/h2-4,7-8,11-12,15,18-19H,5-6,9-10,13-14,16H2,1H3
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34n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470756
PNG
(CHEMBL37453)
Show SMILES CCCOC(=O)N1CCC(C1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C20H29NO4/c1-3-12-24-20(22)21-11-10-16(14-21)15-8-9-18(23-2)19(13-15)25-17-6-4-5-7-17/h8-9,13,16-17H,3-7,10-12,14H2,1-2H3
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46n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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47n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50418562
PNG
(CHEMBL357479)
Show SMILES CC1(COc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(O)=O)cc2)CCCCC1
Show InChI InChI=1S/C30H33NO4/c1-30(18-8-3-9-19-30)21-35-24-16-14-22(15-17-24)20-27(29(33)34)31-26-13-7-6-12-25(26)28(32)23-10-4-2-5-11-23/h2,4-7,10-17,27,31H,3,8-9,18-21H2,1H3,(H,33,34)/t27-/m0/s1
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51n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470750
PNG
(CHEMBL286291)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)c1cccn1C
Show InChI InChI=1S/C22H28N2O3/c1-23-12-5-8-19(23)22(25)24-13-11-17(15-24)16-9-10-20(26-2)21(14-16)27-18-6-3-4-7-18/h5,8-10,12,14,17-18H,3-4,6-7,11,13,15H2,1-2H3
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56n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470731
PNG
(CHEMBL146946)
Show SMILES COC(=O)N1CC[C@@H](C1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C18H25NO4/c1-21-16-8-7-13(11-17(16)23-15-5-3-4-6-15)14-9-10-19(12-14)18(20)22-2/h7-8,11,14-15H,3-6,9-10,12H2,1-2H3/t14-/m0/s1
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59n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470736
PNG
(CHEMBL37029)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29NO4/c1-27-22-12-11-19(15-23(22)29-21-9-5-6-10-21)20-13-14-25(16-20)24(26)28-17-18-7-3-2-4-8-18/h2-4,7-8,11-12,15,20-21H,5-6,9-10,13-14,16-17H2,1H3
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60n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029955
PNG
((7R,7aR)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-hex...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@@H]1CCC2=O
Show InChI InChI=1S/C19H25NO3/c1-22-17-8-6-13(12-18(17)23-14-4-2-3-5-14)15-10-11-20-16(15)7-9-19(20)21/h6,8,12,14-16H,2-5,7,9-11H2,1H3/t15-,16-/m1/s1
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63n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470740
PNG
(CHEMBL264851)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)OC(C)C
Show InChI InChI=1S/C20H29NO4/c1-14(2)24-20(22)21-11-10-16(13-21)15-8-9-18(23-3)19(12-15)25-17-6-4-5-7-17/h8-9,12,14,16-17H,4-7,10-11,13H2,1-3H3
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65n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470754
PNG
(CHEMBL288928)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H27NO3/c1-26-21-12-11-18(15-22(21)27-20-9-5-6-10-20)19-13-14-24(16-19)23(25)17-7-3-2-4-8-17/h2-4,7-8,11-12,15,19-20H,5-6,9-10,13-14,16H2,1H3
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68n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029951
PNG
((7R,7aS)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-tet...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@@H]1COC2=O
Show InChI InChI=1S/C18H23NO4/c1-21-16-7-6-12(10-17(16)23-13-4-2-3-5-13)14-8-9-19-15(14)11-22-18(19)20/h6-7,10,13-15H,2-5,8-9,11H2,1H3/t14-,15-/m1/s1
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70n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470725
PNG
(CHEMBL36318)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)c1cccs1
Show InChI InChI=1S/C21H25NO3S/c1-24-18-9-8-15(13-19(18)25-17-5-2-3-6-17)16-10-11-22(14-16)21(23)20-7-4-12-26-20/h4,7-9,12-13,16-17H,2-3,5-6,10-11,14H2,1H3
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71n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470743
PNG
(CHEMBL422578)
Show SMILES CCOC(=O)N1CCC(C1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C19H27NO4/c1-3-23-19(21)20-11-10-15(13-20)14-8-9-17(22-2)18(12-14)24-16-6-4-5-7-16/h8-9,12,15-16H,3-7,10-11,13H2,1-2H3
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71n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50418567
PNG
(CHEMBL148060)
Show SMILES CN(CCOc1ccc(CC(Nc2cccc3-c4ccccc4C(=O)c23)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H27N3O5/c1-35(32-34-25-10-4-5-12-28(25)40-32)17-18-39-21-15-13-20(14-16-21)19-27(31(37)38)33-26-11-6-9-23-22-7-2-3-8-24(22)30(36)29(23)26/h2-16,27,33H,17-19H2,1H3,(H,37,38)
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85n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470748
PNG
(CHEMBL36724 | TCMDC-131880)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C#N
Show InChI InChI=1S/C17H22N2O2/c1-20-16-7-6-13(14-8-9-19(11-14)12-18)10-17(16)21-15-4-2-3-5-15/h6-7,10,14-15H,2-5,8-9,11H2,1H3
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89n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470735
PNG
(CHEMBL287687)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(C)=O
Show InChI InChI=1S/C18H25NO3/c1-13(20)19-10-9-15(12-19)14-7-8-17(21-2)18(11-14)22-16-5-3-4-6-16/h7-8,11,15-16H,3-6,9-10,12H2,1-2H3
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89n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470739
PNG
(CHEMBL413274)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C=O
Show InChI InChI=1S/C17H23NO3/c1-20-16-7-6-13(14-8-9-18(11-14)12-19)10-17(16)21-15-4-2-3-5-15/h6-7,10,12,14-15H,2-5,8-9,11H2,1H3
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91n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470727
PNG
(CHEMBL2093097)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CCN(C1)C(N)=O |r|
Show InChI InChI=1S/C17H24N2O3/c1-21-15-7-6-12(13-8-9-19(11-13)17(18)20)10-16(15)22-14-4-2-3-5-14/h6-7,10,13-14H,2-5,8-9,11H2,1H3,(H2,18,20)/t13-/m1/s1
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100n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085048
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...)
Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1
Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1
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104n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470755
PNG
(CHEMBL36626)
Show SMILES COC(=O)N1CCC(C1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C18H25NO4/c1-21-16-8-7-13(11-17(16)23-15-5-3-4-6-15)14-9-10-19(12-14)18(20)22-2/h7-8,11,14-15H,3-6,9-10,12H2,1-2H3
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110n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50418574
PNG
(CHEMBL146123)
Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2S(=O)(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C31H29N3O6S/c1-34(31-33-25-11-5-7-13-28(25)40-31)19-20-39-23-17-15-22(16-18-23)21-27(30(35)36)32-26-12-6-8-14-29(26)41(37,38)24-9-3-2-4-10-24/h2-18,27,32H,19-21H2,1H3,(H,35,36)
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123n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470749
PNG
(CHEMBL34846)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)N(C)C
Show InChI InChI=1S/C19H28N2O3/c1-20(2)19(22)21-11-10-15(13-21)14-8-9-17(23-3)18(12-14)24-16-6-4-5-7-16/h8-9,12,15-16H,4-7,10-11,13H2,1-3H3
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145n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470729
PNG
(CHEMBL284970)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(S)=N
Show InChI InChI=1S/C17H24N2O2S/c1-20-15-7-6-12(13-8-9-19(11-13)17(18)22)10-16(15)21-14-4-2-3-5-14/h6-7,10,13-14H,2-5,8-9,11H2,1H3,(H2,18,22)
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155n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470730
PNG
(CHEMBL35213)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H30N2O3/c1-28-22-12-11-19(15-23(22)29-21-9-5-6-10-21)20-13-14-26(17-20)24(27)25-16-18-7-3-2-4-8-18/h2-4,7-8,11-12,15,20-21H,5-6,9-10,13-14,16-17H2,1H3,(H,25,27)
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158n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470751
PNG
(CHEMBL286391)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)C(N)=O
Show InChI InChI=1S/C18H24N2O4/c1-23-15-7-6-12(10-16(15)24-14-4-2-3-5-14)13-8-9-20(11-13)18(22)17(19)21/h6-7,10,13-14H,2-5,8-9,11H2,1H3,(H2,19,21)
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158n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50418572
PNG
(CHEMBL359377)
Show SMILES OC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C29H25NO4/c31-28(23-11-5-2-6-12-23)25-13-7-8-14-26(25)30-27(29(32)33)19-21-15-17-24(18-16-21)34-20-22-9-3-1-4-10-22/h1-18,27,30H,19-20H2,(H,32,33)/t27-/m0/s1
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162n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50418569
PNG
(CHEMBL145829)
Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2C(N=N)c2ccccc2)C(O)=O)cc1)c1ccccn1
Show InChI InChI=1S/C30H31N5O3/c1-35(28-13-7-8-18-32-28)19-20-38-24-16-14-22(15-17-24)21-27(30(36)37)33-26-12-6-5-11-25(26)29(34-31)23-9-3-2-4-10-23/h2-18,27,29,31,33H,19-21H2,1H3,(H,36,37)
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162n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470738
PNG
(CHEMBL36728)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(N)=O
Show InChI InChI=1S/C17H24N2O3/c1-21-15-7-6-12(13-8-9-19(11-13)17(18)20)10-16(15)22-14-4-2-3-5-14/h6-7,10,13-14H,2-5,8-9,11H2,1H3,(H2,18,20)
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182n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470737
PNG
(CHEMBL290191)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H28N2O3/c1-29-23-11-10-17(15-24(23)30-20-7-3-4-8-20)19-12-13-27(16-19)25(28)22-14-18-6-2-5-9-21(18)26-22/h2,5-6,9-11,14-15,19-20,26H,3-4,7-8,12-13,16H2,1H3
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182n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470726
PNG
(CHEMBL1169563)
Show SMILES COC(=O)N1CC[C@H](C1)c1ccc(OC)c(OC2CCCC2)c1 |r|
Show InChI InChI=1S/C18H25NO4/c1-21-16-8-7-13(11-17(16)23-15-5-3-4-6-15)14-9-10-19(12-14)18(20)22-2/h7-8,11,14-15H,3-6,9-10,12H2,1-2H3/t14-/m1/s1
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186n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470747
PNG
(CHEMBL38219)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)C#CC
Show InChI InChI=1S/C20H25NO3/c1-3-6-20(22)21-12-11-16(14-21)15-9-10-18(23-2)19(13-15)24-17-7-4-5-8-17/h9-10,13,16-17H,4-5,7-8,11-12,14H2,1-2H3
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195n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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221n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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224n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50470728
PNG
(CHEMBL285532)
Show SMILES CCCC(=O)N1CCC(C1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C20H29NO3/c1-3-6-20(22)21-12-11-16(14-21)15-9-10-18(23-2)19(13-15)24-17-7-4-5-8-17/h9-10,13,16-17H,3-8,11-12,14H2,1-2H3
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269n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
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