Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50003514 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50472190
(CHEMBL167638)Show InChI InChI=1S/C18H24O4/c1-21-16-9-8-13(12-6-7-14(10-12)18(19)20)11-17(16)22-15-4-2-3-5-15/h8-9,11-12,14-15H,2-7,10H2,1H3,(H,19,20) | PDB
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| PC cid
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50042058
((-)-rolipram | (4R)-4-[3-(cyclopentyloxy)-4-methox...)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)/t12-/m0/s1 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50472191
(CHEMBL167166)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CN(Cc2ccc(N)cc2)C(=O)C1 Show InChI InChI=1S/C23H28N2O3/c1-27-21-11-8-17(12-22(21)28-20-4-2-3-5-20)18-13-23(26)25(15-18)14-16-6-9-19(24)10-7-16/h6-12,18,20H,2-5,13-15,24H2,1H3/t18-/m1/s1 | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50472193
(CHEMBL352628)Show InChI InChI=1S/C19H23NO3/c1-22-17-7-6-14(12-18(17)23-16-4-2-3-5-16)19(13-20)10-8-15(21)9-11-19/h6-7,12,16H,2-5,8-11H2,1H3 | PDB
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| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50472187
(CHEMBL169746)Show InChI InChI=1S/C17H22O3/c1-19-16-9-7-13(12-6-8-14(18)10-12)11-17(16)20-15-4-2-3-5-15/h7,9,11-12,15H,2-6,8,10H2,1H3 | PDB
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| PC cid
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| Article
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50042056
((R)-4-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrrolid...)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)/t12-/m1/s1 | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50472198
(CHEMBL354447)Show SMILES COc1ccc(cc1OC1CCCC1)C1CN(Cc2ccc(N)cc2)C(=O)C1 Show InChI InChI=1S/C23H28N2O3/c1-27-21-11-8-17(12-22(21)28-20-4-2-3-5-20)18-13-23(26)25(15-18)14-16-6-9-19(24)10-7-16/h6-12,18,20H,2-5,13-15,24H2,1H3 | PDB
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| PC cid
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50472189
(CHEMBL167486)Show InChI InChI=1S/C18H24O3/c1-20-17-11-8-14(13-6-9-15(19)10-7-13)12-18(17)21-16-4-2-3-5-16/h8,11-13,16H,2-7,9-10H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50472199
(CHEMBL169537)Show InChI InChI=1S/C20H24O3/c1-3-20(12-10-16(21)11-13-20)15-8-9-18(22-2)19(14-15)23-17-6-4-5-7-17/h1,8-9,14,17H,4-7,10-13H2,2H3 | PDB
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| PC cid
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50346088
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20- | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50346088
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20- | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50472197
(CHEMBL352857)Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCC(CC1)c1nnn[nH]1)C#N Show InChI InChI=1S/C20H25N5O2/c1-26-17-7-6-15(12-18(17)27-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19-22-24-25-23-19/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23,24,25) | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50346088
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20- | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50472193
(CHEMBL352628)Show InChI InChI=1S/C19H23NO3/c1-22-17-7-6-14(12-18(17)23-16-4-2-3-5-16)19(13-20)10-8-15(21)9-11-19/h6-7,12,16H,2-5,8-11H2,1H3 | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50346088
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20- | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50472189
(CHEMBL167486)Show InChI InChI=1S/C18H24O3/c1-20-17-11-8-14(13-6-9-15(19)10-7-13)12-18(17)21-16-4-2-3-5-16/h8,11-13,16H,2-7,9-10H2,1H3 | PDB
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50472192
(CHEMBL167258)Show SMILES COc1ccc(cc1OC1CCCC1)C1CCC(CC1)C(O)=O |(-6.11,-6.42,;-6.11,-4.88,;-4.76,-4.13,;-3.45,-4.9,;-2.11,-4.13,;-2.11,-2.59,;-3.45,-1.83,;-4.76,-2.59,;-6.11,-1.83,;-7.43,-2.59,;-7.43,-4.11,;-9.09,-4.45,;-9.85,-3.12,;-8.83,-1.96,;-.79,-1.8,;.17,-3.3,;2.11,-2.48,;3.5,-2.88,;2.54,-1.38,;.7,-2.21,;4.98,-2.48,;6.06,-3.57,;5.38,-.99,)| Show InChI InChI=1S/C19H26O4/c1-22-17-11-10-15(12-18(17)23-16-4-2-3-5-16)13-6-8-14(9-7-13)19(20)21/h10-14,16H,2-9H2,1H3,(H,20,21) | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50472191
(CHEMBL167166)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CN(Cc2ccc(N)cc2)C(=O)C1 Show InChI InChI=1S/C23H28N2O3/c1-27-21-11-8-17(12-22(21)28-20-4-2-3-5-20)18-13-23(26)25(15-18)14-16-6-9-19(24)10-7-16/h6-12,18,20H,2-5,13-15,24H2,1H3/t18-/m1/s1 | PDB
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| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50042058
((-)-rolipram | (4R)-4-[3-(cyclopentyloxy)-4-methox...)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)/t12-/m0/s1 | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50472199
(CHEMBL169537)Show InChI InChI=1S/C20H24O3/c1-3-20(12-10-16(21)11-13-20)15-8-9-18(22-2)19(14-15)23-17-6-4-5-7-17/h1,8-9,14,17H,4-7,10-13H2,2H3 | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50472195
(CHEMBL166529)Show InChI InChI=1S/C19H25NO4/c1-23-16-7-6-13(12-17(16)24-15-4-2-3-5-15)19(18(20)22)10-8-14(21)9-11-19/h6-7,12,15H,2-5,8-11H2,1H3,(H2,20,22) | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50472198
(CHEMBL354447)Show SMILES COc1ccc(cc1OC1CCCC1)C1CN(Cc2ccc(N)cc2)C(=O)C1 Show InChI InChI=1S/C23H28N2O3/c1-27-21-11-8-17(12-22(21)28-20-4-2-3-5-20)18-13-23(26)25(15-18)14-16-6-9-19(24)10-7-16/h6-12,18,20H,2-5,13-15,24H2,1H3 | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50472194
(CHEMBL169834)Show InChI InChI=1S/C19H24O4/c1-22-17-7-6-14(12-18(17)23-16-4-2-3-5-16)19(13-20)10-8-15(21)9-11-19/h6-7,12-13,16H,2-5,8-11H2,1H3 | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50472187
(CHEMBL169746)Show InChI InChI=1S/C17H22O3/c1-19-16-9-7-13(12-6-8-14(18)10-12)11-17(16)20-15-4-2-3-5-15/h7,9,11-12,15H,2-6,8,10H2,1H3 | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50346088
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20- | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50472194
(CHEMBL169834)Show InChI InChI=1S/C19H24O4/c1-22-17-7-6-14(12-18(17)23-16-4-2-3-5-16)19(13-20)10-8-15(21)9-11-19/h6-7,12-13,16H,2-5,8-11H2,1H3 | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50472195
(CHEMBL166529)Show InChI InChI=1S/C19H25NO4/c1-23-16-7-6-13(12-17(16)24-15-4-2-3-5-15)19(18(20)22)10-8-14(21)9-11-19/h6-7,12,15H,2-5,8-11H2,1H3,(H2,20,22) | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50346088
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20- | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50472197
(CHEMBL352857)Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCC(CC1)c1nnn[nH]1)C#N Show InChI InChI=1S/C20H25N5O2/c1-26-17-7-6-15(12-18(17)27-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19-22-24-25-23-19/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23,24,25) | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50346088
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20- | PDB
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| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50042056
((R)-4-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrrolid...)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)/t12-/m1/s1 | PDB
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50472196
(CHEMBL354656)Show InChI InChI=1S/C19H25FO3/c1-22-17-7-6-14(12-18(17)23-16-4-2-3-5-16)19(13-20)10-8-15(21)9-11-19/h6-7,12,16H,2-5,8-11,13H2,1H3 | PDB
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| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50472190
(CHEMBL167638)Show InChI InChI=1S/C18H24O4/c1-21-16-9-8-13(12-6-7-14(10-12)18(19)20)11-17(16)22-15-4-2-3-5-15/h8-9,11-12,14-15H,2-7,10H2,1H3,(H,19,20) | PDB
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50472192
(CHEMBL167258)Show SMILES COc1ccc(cc1OC1CCCC1)C1CCC(CC1)C(O)=O |(-6.11,-6.42,;-6.11,-4.88,;-4.76,-4.13,;-3.45,-4.9,;-2.11,-4.13,;-2.11,-2.59,;-3.45,-1.83,;-4.76,-2.59,;-6.11,-1.83,;-7.43,-2.59,;-7.43,-4.11,;-9.09,-4.45,;-9.85,-3.12,;-8.83,-1.96,;-.79,-1.8,;.17,-3.3,;2.11,-2.48,;3.5,-2.88,;2.54,-1.38,;.7,-2.21,;4.98,-2.48,;6.06,-3.57,;5.38,-.99,)| Show InChI InChI=1S/C19H26O4/c1-22-17-11-10-15(12-18(17)23-16-4-2-3-5-16)13-6-8-14(9-7-13)19(20)21/h10-14,16H,2-9H2,1H3,(H,20,21) | PDB
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SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50472188
(CHEMBL168989)Show InChI InChI=1S/C19H26O4/c1-22-17-7-6-14(12-18(17)23-16-4-2-3-5-16)19(13-20)10-8-15(21)9-11-19/h6-7,12,16,20H,2-5,8-11,13H2,1H3 | PDB
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50346088
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20- | PDB
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| PDB
Article
PubMed
| n/a | n/a | 3.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4) |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50472196
(CHEMBL354656)Show InChI InChI=1S/C19H25FO3/c1-22-17-7-6-14(12-18(17)23-16-4-2-3-5-16)19(13-20)10-8-15(21)9-11-19/h6-7,12,16H,2-5,8-11,13H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50472188
(CHEMBL168989)Show InChI InChI=1S/C19H26O4/c1-22-17-7-6-14(12-18(17)23-16-4-2-3-5-16)19(13-20)10-8-15(21)9-11-19/h6-7,12,16,20H,2-5,8-11,13H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol |
J Med Chem 41: 821-35 (1998)
Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M |
More data for this
Ligand-Target Pair | |
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