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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50017662   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603817
PNG
(CHEMBL5170835)
Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c2ccc(=O)oc2c1\[#6]=[#6]\[C@@]1([#6])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c(-[#8]1)c1ccccc1n(-[#6])c2=O |r|
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UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603818
PNG
(CHEMBL5208713)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#6]C([#6])([#6]-[#6]-[#8])[#8]-c2c1c(=O)n(-[#6])c1ncccc21
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n/an/a 400n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603822
PNG
(CHEMBL5185722)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#6]C([#6])([#6]-[#6]-[#8])[#8]-c2c1c(=O)n(-[#6])c1ncncc21
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603832
PNG
(CHEMBL5197754)
Show SMILES [#6]-[#6]-c1ccc2c3-[#8][C@@]([#6])([#6]-[#6]-[#8])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c3c(=O)n(-[#6]-[#6])c2n1 |r|
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603811
PNG
(CHEMBL5171560)
Show SMILES [#6]-[#6]-n1c2nc(-[#6])ccc2c2-[#8][C@@]([#6])([#6]-[#6]-[#8])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c1=O |r|
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n/an/a 3.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603829
PNG
(CHEMBL5205696)
Show SMILES [#6]-[#6]-n1c2nc(-[#6])ccc2c2-[#8]C([#6])([#6]-[#6]-[#8])[#6]-[#6](\[#6]=[#6](\[#6])-[#6])-c2c1=O
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n/an/a 4.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603813
PNG
(CHEMBL5201432)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#6]C([#6])([#8]-c2c1c(=O)n(-[#6])c1ccccc21)[#6]=[#6]
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n/an/a 5.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603831
PNG
(CHEMBL5171883)
Show SMILES [#6]-[#6]-c1ccc2c3-[#8]C([#6])([#6]-[#6]-[#8])[#6]-[#6](\[#6]=[#6](\[#6])-[#6])-c3c(=O)n(-[#6]-[#6])c2n1
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n/an/a 5.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603835
PNG
(CHEMBL5204540)
Show SMILES [#6]-[#6]-n1c2nc(ccc2c2-[#8][C@@]([#6])([#6]-[#6]-[#8])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c1=O)C(F)(F)F |r|
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n/an/a 6.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603814
PNG
(CHEMBL5202332)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#6]C([#6])([#6]-[#6]-[#8])[#8]-c2c1c(=O)n(-[#6])c1ccccc21
PDB

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n/an/a 7.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603820
PNG
(CHEMBL5178435)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#6]C([#6])([#6]-[#6]-[#8])[#8]-c2c1c(=O)n(-[#6])c1ccncc21
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n/an/a 7.60E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603815
PNG
(CHEMBL5200449)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#6]C([#6])([#6]-[#6]-[#7])[#8]-c2c1c(=O)n(-[#6])c1ccccc21
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM93217
PNG
(Coumarin derivative, 2a)
Show SMILES COc1cc(OC)c2ccc(=O)oc2c1
Show InChI InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603821
PNG
(CHEMBL5193480)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#6]C([#6])([#6]-[#6]-[#8])[#8]-c2c1c(=O)n(-[#6])c1cccnc21
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603819
PNG
(CHEMBL5203741)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#6]C([#6])([#6]-[#6]-[#8])[#8]-c2c1c(=O)n(-[#6])c1cnccc21
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603816
PNG
(CHEMBL5200298)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#6]C([#6])([#6]-[#6](-[#8])=O)[#8]-c2c1c(=O)n(-[#6])c1ccccc21
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603834
PNG
(CHEMBL5181558)
Show SMILES [#6]-[#6]-n1c2nc(ccc2c2-[#8]C([#6])([#6]-[#6]-[#8])[#6]-[#6](\[#6]=[#6](\[#6])-[#6])-c2c1=O)C(F)(F)F
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n/an/a 1.21E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603824
PNG
(CHEMBL5203549)
Show SMILES [#6]-[#6]-[#6]-n1c2ncccc2c2-[#8]C([#6])([#6]-[#6]-[#8])[#6]-[#6](\[#6]=[#6](\[#6])-[#6])-c2c1=O
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n/an/a 6.84E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603833
PNG
(CHEMBL5177463)
Show SMILES [#6]-[#6]-c1ccc2c3-[#8][C@]([#6])([#6]-[#6]-[#8])[#6]-[#6@H](\[#6]=[#6](\[#6])-[#6])-c3c(=O)n(-[#6]-[#6])c2n1 |r|
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n/an/a 7.24E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603823
PNG
(CHEMBL5188747)
Show SMILES [#6]-[#6]-n1c2ncccc2c2-[#8]C([#6])([#6]-[#6]-[#8])[#6]-[#6](\[#6]=[#6](\[#6])-[#6])-c2c1=O
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n/an/a 8.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603830
PNG
(CHEMBL5171119)
Show SMILES [#6]-[#6]-n1c2nc(-[#6])ccc2c2-[#8][C@]([#6])([#6]-[#6]-[#8])[#6]-[#6@H](\[#6]=[#6](\[#6])-[#6])-c2c1=O |r|
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n/an/a 9.88E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603825
PNG
(CHEMBL5186911)
Show SMILES [#6]-[#6](-[#6])-n1c2ncccc2c2-[#8]C([#6])([#6]-[#6]-[#8])[#6]-[#6](\[#6]=[#6](\[#6])-[#6])-c2c1=O
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n/an/a 1.01E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603836
PNG
(CHEMBL5188271)
Show SMILES [#6]-[#6]-n1c2nc(ccc2c2-[#8][C@]([#6])([#6]-[#6]-[#8])[#6]-[#6@H](\[#6]=[#6](\[#6])-[#6])-c2c1=O)C(F)(F)F |r|
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n/an/a 1.33E+5n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603826
PNG
(CHEMBL5193320)
Show SMILES [#6]-[#6]-[#6]-[#6]-n1c2ncccc2c2-[#8]C([#6])([#6]-[#6]-[#8])[#6]-[#6](\[#6]=[#6](\[#6])-[#6])-c2c1=O
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n/an/a 1.77E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603828
PNG
(CHEMBL5180007)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#6]C([#6])([#6]-[#6]-[#8])[#8]-c2c1c(=O)n(-c1ccccc1)c1ncccc21
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n/an/a 3.72E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50603827
PNG
(CHEMBL5190912)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#6]C([#6])([#6]-[#6]-[#8])[#8]-c2c1c(=O)n(-[#6]-1-[#6]-[#6]-1)c1ncccc21
PDB

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n/an/a 6.03E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W
More data for this
Ligand-Target Pair