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Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'martínez' and Initial = 'p'   
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
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM50110039
PNG
(1-[2-(3-Cyclopropylmethoxy-4-methoxy-phenyl)-propy...)
Show SMILES COc1ccc(cc1OCC1CC1)C(C)Cn1cc[nH]c1=O
Show InChI InChI=1S/C17H22N2O3/c1-12(10-19-8-7-18-17(19)20)14-5-6-15(21-2)16(9-14)22-11-13-3-4-13/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,20)
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3.5n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT-Rattus norvegicus)
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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11n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibition of [3H]rolipram binding to Phosphodiesterase 4 of rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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26n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibition of [3H]rolipram binding to Phosphodiesterase 4 of rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM50451480
PNG
(CHEMBL2093042)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)[C@@H](C)Cn1cc[nH]\c1=N/C#N
Show InChI InChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)/t16-/m0/s1
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63n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM50110030
PNG
(1-{2-[3-(Indan-2-yloxy)-4-methoxy-phenyl]-propyl}-...)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)C(C)Cn1ccnc1NC#N
Show InChI InChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)
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180n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM50366802
PNG
(CHEMBL1788264)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)[C@H](C)Cn1ccnc1NC#N
Show InChI InChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)/t16-/m1/s1
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220n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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n/an/a 0.200n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50403975
PNG
(CHEMBL315772)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 0.550n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D3


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50403975
PNG
(CHEMBL315772)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against 5-HT2C receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50403975
PNG
(CHEMBL315772)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 2.30n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50403975
PNG
(CHEMBL315772)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 2.60n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D4


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50403975
PNG
(CHEMBL315772)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 3.5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50403975
PNG
(CHEMBL315772)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 8.70n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2L


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50219313
PNG
(CHEMBL157812)
Show SMILES CC(Cn1ccnc1O)c1ccc(OC(F)F)c(OC2CCCC2)c1
Show InChI InChI=1S/C18H22F2N2O3/c1-12(11-22-9-8-21-18(22)23)13-6-7-15(25-17(19)20)16(10-13)24-14-4-2-3-5-14/h6-10,12,14,17H,2-5,11H2,1H3,(H,21,23)
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n/an/a<10n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against 5-HT2C receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50421589
PNG
(CHEMBL331077)
Show SMILES CN(C)CC1CC2N(O1)c1cnccc1Cc1ccccc21
Show InChI InChI=1S/C18H21N3O/c1-20(2)12-15-10-17-16-6-4-3-5-13(16)9-14-7-8-19-11-18(14)21(17)22-15/h3-8,11,15,17H,9-10,12H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against 5-HT2C receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50403975
PNG
(CHEMBL315772)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50421590
PNG
(CHEMBL331188)
Show SMILES CN(C)CC1CC2N(O1)c1ccccc1Cc1ncccc21
Show InChI InChI=1S/C18H21N3O/c1-20(2)12-14-11-18-15-7-5-9-19-16(15)10-13-6-3-4-8-17(13)21(18)22-14/h3-9,14,18H,10-12H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50451480
PNG
(CHEMBL2093042)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)[C@@H](C)Cn1cc[nH]\c1=N/C#N
Show InChI InChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)/t16-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110030
PNG
(1-{2-[3-(Indan-2-yloxy)-4-methoxy-phenyl]-propyl}-...)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)C(C)Cn1ccnc1NC#N
Show InChI InChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)
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n/an/a 19n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110052
PNG
(1-{2-[3-(Bicyclo[2.2.1]hept-2-yloxy)-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CC2CCC1C2)C(C)Cn1cc[nH]c1=O
Show InChI InChI=1S/C20H26N2O3/c1-13(12-22-8-7-21-20(22)23)15-5-6-17(24-2)19(11-15)25-18-10-14-3-4-16(18)9-14/h5-8,11,13-14,16,18H,3-4,9-10,12H2,1-2H3,(H,21,23)
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n/an/a 21n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110046
PNG
(1-[2-(3-Cyclopropylmethoxy-4-difluoromethoxy-pheny...)
Show SMILES CC(Cn1ccnc1NC#N)c1ccc(OC(F)F)c(OCC2CC2)c1
Show InChI InChI=1S/C18H20F2N4O2/c1-12(9-24-7-6-22-18(24)23-11-21)14-4-5-15(26-17(19)20)16(8-14)25-10-13-2-3-13/h4-8,12-13,17H,2-3,9-10H2,1H3,(H,22,23)
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n/an/a 22n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110038
PNG
(1-{2-Fluoro-2-[3-(indan-2-yloxy)-4-methoxy-phenyl]...)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)C(F)Cn1cc[nH]c1=O
Show InChI InChI=1S/C21H21FN2O3/c1-26-19-7-6-16(18(22)13-24-9-8-23-21(24)25)12-20(19)27-17-10-14-4-2-3-5-15(14)11-17/h2-9,12,17-18H,10-11,13H2,1H3,(H,23,25)
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n/an/a 24n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110040
PNG
(1-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-propyl]-1...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(C)Cn1cc[nH]c1=O
Show InChI InChI=1S/C18H24N2O3/c1-13(12-20-10-9-19-18(20)21)14-7-8-16(22-2)17(11-14)23-15-5-3-4-6-15/h7-11,13,15H,3-6,12H2,1-2H3,(H,19,21)
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n/an/a 24n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110034
PNG
(1-{2-[4-Difluoromethoxy-3-(5-phenyl-pentyloxy)-phe...)
Show SMILES CC(Cn1ccnc1NC#N)c1ccc(OC(F)F)c(OCCCCCc2ccccc2)c1
Show InChI InChI=1S/C25H28F2N4O2/c1-19(17-31-14-13-29-25(31)30-18-28)21-11-12-22(33-24(26)27)23(16-21)32-15-7-3-6-10-20-8-4-2-5-9-20/h2,4-5,8-9,11-14,16,19,24H,3,6-7,10,15,17H2,1H3,(H,29,30)
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n/an/a 28n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110037
PNG
(1-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-propyl]-1...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(C)Cn1ccnc1NC#N
Show InChI InChI=1S/C19H24N4O2/c1-14(12-23-10-9-21-19(23)22-13-20)15-7-8-17(24-2)18(11-15)25-16-5-3-4-6-16/h7-11,14,16H,3-6,12H2,1-2H3,(H,21,22)
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n/an/a 30n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110051
PNG
(1-{2-[4-Methoxy-3-(5-phenyl-pentyloxy)-phenyl]-pro...)
Show SMILES COc1ccc(cc1OCCCCCc1ccccc1)C(C)Cn1ccnc1NC#N
Show InChI InChI=1S/C25H30N4O2/c1-20(18-29-15-14-27-25(29)28-19-26)22-12-13-23(30-2)24(17-22)31-16-8-4-7-11-21-9-5-3-6-10-21/h3,5-6,9-10,12-15,17,20H,4,7-8,11,16,18H2,1-2H3,(H,27,28)
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n/an/a 36n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110047
PNG
(1-[1-(3-Cyclopentyloxy-4-difluoromethoxy-phenyl)-c...)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C1(Cn2cc[nH]c2=O)CC1
Show InChI InChI=1S/C19H22F2N2O3/c20-17(21)26-15-6-5-13(11-16(15)25-14-3-1-2-4-14)19(7-8-19)12-23-10-9-22-18(23)24/h5-6,9-11,14,17H,1-4,7-8,12H2,(H,22,24)
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n/an/a 39n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50366802
PNG
(CHEMBL1788264)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)[C@H](C)Cn1ccnc1NC#N
Show InChI InChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)/t16-/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110035
PNG
(1-[2-(3-Cyclopropylmethoxy-4-methoxy-phenyl)-propy...)
Show SMILES COc1ccc(cc1OCC1CC1)C(C)Cn1ccnc1NC#N
Show InChI InChI=1S/C18H22N4O2/c1-13(10-22-8-7-20-18(22)21-12-19)15-5-6-16(23-2)17(9-15)24-11-14-3-4-14/h5-9,13-14H,3-4,10-11H2,1-2H3,(H,20,21)
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n/an/a 57n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110033
PNG
(1-{2-[3-(2-Indan-2-yl-ethoxy)-4-methoxy-phenyl]-pr...)
Show SMILES COc1ccc(cc1OCCC1Cc2ccccc2C1)C(C)Cn1ccnc1NC#N
Show InChI InChI=1S/C25H28N4O2/c1-18(16-29-11-10-27-25(29)28-17-26)20-7-8-23(30-2)24(15-20)31-12-9-19-13-21-5-3-4-6-22(21)14-19/h3-8,10-11,15,18-19H,9,12-14,16H2,1-2H3,(H,27,28)
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n/an/a 68n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346088
PNG
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N
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-
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n/an/a 71n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110039
PNG
(1-[2-(3-Cyclopropylmethoxy-4-methoxy-phenyl)-propy...)
Show SMILES COc1ccc(cc1OCC1CC1)C(C)Cn1cc[nH]c1=O
Show InChI InChI=1S/C17H22N2O3/c1-12(10-19-8-7-18-17(19)20)14-5-6-15(21-2)16(9-14)22-11-13-3-4-13/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,20)
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n/an/a 86n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110036
PNG
(1-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-ethyl]-1,...)
Show SMILES COc1ccc(CCn2cc[nH]c2=O)cc1OC1CCCC1
Show InChI InChI=1S/C17H22N2O3/c1-21-15-7-6-13(8-10-19-11-9-18-17(19)20)12-16(15)22-14-4-2-3-5-14/h6-7,9,11-12,14H,2-5,8,10H2,1H3,(H,18,20)
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n/an/a 110n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 132n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D4


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403975
PNG
(CHEMBL315772)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 135n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against 5-HT1D receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D3


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110045
PNG
(1-{2-[4-Methoxy-3-(tetrahydro-furan-3-yloxy)-pheny...)
Show SMILES COc1ccc(cc1OC1CCOC1)C(C)Cn1ccnc1NC#N
Show InChI InChI=1S/C18H22N4O3/c1-13(10-22-7-6-20-18(22)21-12-19)14-3-4-16(23-2)17(9-14)25-15-5-8-24-11-15/h3-4,6-7,9,13,15H,5,8,10-11H2,1-2H3,(H,20,21)
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n/an/a 196n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403975
PNG
(CHEMBL315772)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against 5-HT1A receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110029
PNG
(1-{2-[4-Methoxy-3-(tetrahydro-furan-3-yloxy)-pheny...)
Show SMILES COc1ccc(cc1OC1CCOC1)C(C)Cn1cc[nH]c1=O
Show InChI InChI=1S/C17H22N2O4/c1-12(10-19-7-6-18-17(19)20)13-3-4-15(21-2)16(9-13)23-14-5-8-22-11-14/h3-4,6-7,9,12,14H,5,8,10-11H2,1-2H3,(H,18,20)
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n/an/a 241n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50421589
PNG
(CHEMBL331077)
Show SMILES CN(C)CC1CC2N(O1)c1cnccc1Cc1ccccc21
Show InChI InChI=1S/C18H21N3O/c1-20(2)12-15-10-17-16-6-4-3-5-13(16)9-14-7-8-19-11-18(14)21(17)22-15/h3-8,11,15,17H,9-10,12H2,1-2H3
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n/an/a 251n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D4


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110032
PNG
(1-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-1-methyl-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(C)C(C)n1cc[nH]c1=O
Show InChI InChI=1S/C19H26N2O3/c1-13(14(2)21-11-10-20-19(21)22)15-8-9-17(23-3)18(12-15)24-16-6-4-5-7-16/h8-14,16H,4-7H2,1-3H3,(H,20,22)
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n/an/a 277n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110048
PNG
(1-{2-Fluoro-2-[4-methoxy-3-(tetrahydro-furan-3-ylo...)
Show SMILES COc1ccc(cc1OC1CCOC1)C(C)(F)Cn1cc[nH]c1=O
Show InChI InChI=1S/C17H21FN2O4/c1-17(18,11-20-7-6-19-16(20)21)12-3-4-14(22-2)15(9-12)24-13-5-8-23-10-13/h3-4,6-7,9,13H,5,8,10-11H2,1-2H3,(H,19,21)
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n/an/a 327n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110041
PNG
(1-[1-(3-Cyclopentyloxy-4-methoxy-phenyl)-cycloprop...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cn2cc[nH]c2=O)CC1
Show InChI InChI=1S/C19H24N2O3/c1-23-16-7-6-14(12-17(16)24-15-4-2-3-5-15)19(8-9-19)13-21-11-10-20-18(21)22/h6-7,10-12,15H,2-5,8-9,13H2,1H3,(H,20,22)
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n/an/a 341n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110043
PNG
(1-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-methyl-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(C)(C)Cn1cc[nH]c1=O
Show InChI InChI=1S/C19H26N2O3/c1-19(2,13-21-11-10-20-18(21)22)14-8-9-16(23-3)17(12-14)24-15-6-4-5-7-15/h8-12,15H,4-7,13H2,1-3H3,(H,20,22)
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n/an/a 367n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-2A adrenergic receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50421589
PNG
(CHEMBL331077)
Show SMILES CN(C)CC1CC2N(O1)c1cnccc1Cc1ccccc21
Show InChI InChI=1S/C18H21N3O/c1-20(2)12-15-10-17-16-6-4-3-5-13(16)9-14-7-8-19-11-18(14)21(17)22-15/h3-8,11,15,17H,9-10,12H2,1-2H3
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n/an/a 389n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421589
PNG
(CHEMBL331077)
Show SMILES CN(C)CC1CC2N(O1)c1cnccc1Cc1ccccc21
Show InChI InChI=1S/C18H21N3O/c1-20(2)12-15-10-17-16-6-4-3-5-13(16)9-14-7-8-19-11-18(14)21(17)22-15/h3-8,11,15,17H,9-10,12H2,1-2H3
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n/an/a 398n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
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