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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50048552   
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


(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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0.850n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220984
PNG
(CHEMBL554636)
Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4cccs4)c4ccccc4c3=O)c2cc1OC
PDB
MMDB

KEGG

UniProtKB/SwissProt

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1.40n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220990
PNG
(CHEMBL556179)
Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
PDB
MMDB

KEGG

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1.40n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220985
PNG
(CHEMBL553502)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3ccc4c(OCc5cccnc5)cccc4c3=O)c2cc1OC |r,t:9|
PDB
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KEGG

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1.5n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220988
PNG
(CHEMBL544766)
Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4nccs4)c4ccccc4c3=O)c2cc1OC
PDB
MMDB

KEGG

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1.70n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220989
PNG
(CHEMBL542299)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3ccc4c(OCCN5CCOCC5)cccc4c3=O)c2cc1OC |r,t:9|
PDB
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1.80n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50074898
PNG
(2-[4-(3-Hydroxymethyl-6,7-dimethoxy-naphthalen-1-y...)
Show SMILES COc1cc2cc(CO)cc(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C31H24N4O4/c1-38-27-14-22-12-19(18-36)13-25(26(22)16-28(27)39-2)20-9-11-33-29(15-20)35-31(37)24-8-4-3-7-23(24)30(34-35)21-6-5-10-32-17-21/h3-17,36H,18H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220986
PNG
(CHEMBL542650)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(Cc4cccnc4)c4ccccc4c3=O)c2cc1OC |r,t:9|
PDB
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3.10n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50074901
PNG
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C32H26N4O5/c1-40-27-13-21-12-22(17-37)26(18-38)30(25(21)15-28(27)41-2)19-9-11-34-29(14-19)36-32(39)24-8-4-3-7-23(24)31(35-36)20-6-5-10-33-16-20/h3-16,37-38H,17-18H2,1-2H3
PDB
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3.5n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(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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3.80n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220992
PNG
(CHEMBL545700)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(-c4cncnc4)c4ccccc4c3=O)c2cc1OC |r,t:9|
PDB
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KEGG

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5.40n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220991
PNG
(CHEMBL539265)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC |r,t:9|
PDB
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KEGG

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6.5n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220987
PNG
(CHEMBL553278)
Show SMILES Cl.COc1cc2nc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
PDB
MMDB

KEGG

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120n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220988
PNG
(CHEMBL544766)
Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4nccs4)c4ccccc4c3=O)c2cc1OC
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 0.300n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(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)
PDB
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n/an/a 0.300n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220984
PNG
(CHEMBL554636)
Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4cccs4)c4ccccc4c3=O)c2cc1OC
PDB
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KEGG

UniProtKB/SwissProt

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n/an/a 0.300n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220985
PNG
(CHEMBL553502)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3ccc4c(OCc5cccnc5)cccc4c3=O)c2cc1OC |r,t:9|
PDB
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UniChem
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n/an/a 0.400n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220989
PNG
(CHEMBL542299)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3ccc4c(OCCN5CCOCC5)cccc4c3=O)c2cc1OC |r,t:9|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
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PubMed
n/an/a 0.5n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220990
PNG
(CHEMBL556179)
Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
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n/an/a 0.600n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50074898
PNG
(2-[4-(3-Hydroxymethyl-6,7-dimethoxy-naphthalen-1-y...)
Show SMILES COc1cc2cc(CO)cc(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C31H24N4O4/c1-38-27-14-22-12-19(18-36)13-25(26(22)16-28(27)39-2)20-9-11-33-29(15-20)35-31(37)24-8-4-3-7-23(24)30(34-35)21-6-5-10-32-17-21/h3-17,36H,18H2,1-2H3
PDB
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n/an/a 0.700n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50074901
PNG
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C32H26N4O5/c1-40-27-13-21-12-22(17-37)26(18-38)30(25(21)15-28(27)41-2)19-9-11-34-29(14-19)36-32(39)24-8-4-3-7-23(24)31(35-36)20-6-5-10-33-16-20/h3-16,37-38H,17-18H2,1-2H3
PDB
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n/an/a 0.700n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220991
PNG
(CHEMBL539265)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC |r,t:9|
PDB
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n/an/a 1n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220986
PNG
(CHEMBL542650)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(Cc4cccnc4)c4ccccc4c3=O)c2cc1OC |r,t:9|
PDB
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n/an/a 2n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220992
PNG
(CHEMBL545700)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(-c4cncnc4)c4ccccc4c3=O)c2cc1OC |r,t:9|
PDB
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n/an/a 3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220987
PNG
(CHEMBL553278)
Show SMILES Cl.COc1cc2nc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 70n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(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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Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ4236
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Ligand-Target Pair
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3D Structure (crystal)