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Compile Data Set for Download or QSAR

Found 302 hits with Last Name = 'gautam' and Initial = 'n'   
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))
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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n/an/a 110n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDE4D3 expressed in baculovirus infected Sf9 cells by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561535
PNG
(CHEMBL4762079)
Show SMILES Clc1ccc(cc1Cl)-n1c(nc2cccnc12)C(=O)N1CCC1
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n/an/a 110n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
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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n/an/a 110n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561537
PNG
(CHEMBL4783529)
Show SMILES FC1(F)CN(C1)C(=O)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1
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n/an/a 140n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561545
PNG
(CHEMBL4763078)
Show SMILES FC1CN(C1)C(=O)c1cc2cccnc2n1-c1cc(F)c(Cl)c(F)c1
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n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561536
PNG
(CHEMBL4781035)
Show SMILES FC1CN(C1)C(=O)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1
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n/an/a 230n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561556
PNG
(CHEMBL4793481)
Show SMILES COc1c(F)cc(cc1F)-n1c(cc2cccnc12)C(=O)N1CC(F)C1
PDB

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n/an/a 410n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561548
PNG
(CHEMBL4754568)
Show SMILES FC1CN(C1)C(=O)c1cc2cccnc2n1-c1cc(F)c(C#N)c(F)c1
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n/an/a 430n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561538
PNG
(CHEMBL4759907)
Show SMILES FC(F)(F)C1CN(C1)C(=O)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1
PDB

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n/an/a 430n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50561535
PNG
(CHEMBL4762079)
Show SMILES Clc1ccc(cc1Cl)-n1c(nc2cccnc12)C(=O)N1CCC1
PDB

KEGG

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n/an/a 450n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDE4D3 expressed in baculovirus infected Sf9 cells by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561532
PNG
(CHEMBL4789557)
Show SMILES Cc1ccc(cc1Cl)-n1c(cc2cccnc12)C(=O)NC1CC1
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n/an/a 480n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561554
PNG
(CHEMBL4786383)
Show SMILES COc1ncc(cc1Cl)-n1c(cc2cccnc12)C(=O)N1CC(F)C1
PDB

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n/an/a 490n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561534
PNG
(CHEMBL4765220)
Show SMILES FC1CC(C1)NC(=O)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1 |(66.16,-23.92,;64.62,-23.93,;63.54,-25.02,;62.45,-23.94,;63.53,-22.84,;60.91,-23.95,;60.13,-22.62,;60.89,-21.28,;58.59,-22.63,;57.69,-23.88,;56.22,-23.41,;54.88,-24.19,;53.54,-23.42,;53.55,-21.88,;54.87,-21.11,;56.21,-21.87,;57.67,-21.39,;58.14,-19.93,;57.11,-18.79,;57.57,-17.33,;59.08,-16.99,;59.54,-15.52,;60.12,-18.13,;61.62,-17.8,;59.65,-19.6,)|
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n/an/a 600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561553
PNG
(CHEMBL4758800)
Show SMILES FC1CN(C1)C(=O)c1cc2cccnc2n1-c1ccc(Cl)c(F)c1
PDB

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n/an/a 610n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM355750
PNG
(N-Cyclopropyl-3-(3,4-dichlorophenyl)-3H-imidazo[4,...)
Show SMILES Clc1ccc(cc1Cl)-n1c(nc2cccnc12)C(=O)NC1CC1
Show InChI InChI=1S/C16H12Cl2N4O/c17-11-6-5-10(8-12(11)18)22-14-13(2-1-7-19-14)21-15(22)16(23)20-9-3-4-9/h1-2,5-9H,3-4H2,(H,20,23)
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n/an/a 630n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM355756
PNG
(3-(3-Chloro-4-methylphenyl)-N-cyclopropyl-3H-imida...)
Show SMILES Cc1ccc(cc1Cl)-n1c(nc2cccnc12)C(=O)NC1CC1
Show InChI InChI=1S/C17H15ClN4O/c1-10-4-7-12(9-13(10)18)22-15-14(3-2-8-19-15)21-16(22)17(23)20-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,20,23)
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n/an/a 800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50561537
PNG
(CHEMBL4783529)
Show SMILES FC1(F)CN(C1)C(=O)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1
PDB

KEGG

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n/an/a 880n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDE4D3 expressed in baculovirus infected Sf9 cells by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561542
PNG
(CHEMBL4797566)
Show SMILES Cc1ccc(cc1Cl)-n1c(cc2cccnc12)C(=O)N1CC(F)C1
PDB

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n/an/a 910n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561551
PNG
(CHEMBL4795799)
Show SMILES Fc1cc(ccc1Cl)-n1c(cc2cccnc12)C(=O)NC1CC1
PDB

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n/an/a 970n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561555
PNG
(CHEMBL4758348)
Show SMILES FC1CN(C1)C(=O)c1cc2cccnc2n1-c1ccnc(F)c1
PDB

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n/an/a 980n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561539
PNG
(CHEMBL4786718)
Show SMILES Clc1ccc(cc1Cl)-n1c(nc2cccnc12)C(=O)N1CCC2(CCC2)C1
PDB

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n/an/a 980n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50561538
PNG
(CHEMBL4759907)
Show SMILES FC(F)(F)C1CN(C1)C(=O)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1
PDB

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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDE4D3 expressed in baculovirus infected Sf9 cells by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561533
PNG
(CHEMBL4763816)
Show SMILES Clc1ccc(cc1Cl)-n1c(nc2cccnc12)C(=O)NC1CCC1
PDB

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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561544
PNG
(CHEMBL4798020)
Show SMILES Fc1cc(cc(F)c1Cl)-n1c(cc2cccnc12)C(=O)NC1CCC1
PDB

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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561552
PNG
(CHEMBL4763514)
Show SMILES Fc1cc(ccc1Cl)-n1c(cc2cccnc12)C(=O)NC1CCC1
PDB

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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561543
PNG
(CHEMBL4751002)
Show SMILES Fc1cc(cc(F)c1Cl)-n1c(cc2cccnc12)C(=O)NC1CC1
PDB

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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561546
PNG
(CHEMBL4779670)
Show SMILES Fc1cc(cc(F)c1C#N)-n1c(cc2cccnc12)C(=O)NC1CC1
PDB

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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50561554
PNG
(CHEMBL4786383)
Show SMILES COc1ncc(cc1Cl)-n1c(cc2cccnc12)C(=O)N1CC(F)C1
PDB

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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDE4D3 expressed in baculovirus infected Sf9 cells by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561547
PNG
(CHEMBL4754846)
Show SMILES Fc1cc(cc(F)c1C#N)-n1c(cc2cccnc12)C(=O)NC1CCC1
PDB

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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50561555
PNG
(CHEMBL4758348)
Show SMILES FC1CN(C1)C(=O)c1cc2cccnc2n1-c1ccnc(F)c1
PDB

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n/an/a 1.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDE4D3 expressed in baculovirus infected Sf9 cells by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50561531
PNG
(CHEMBL4761224)
Show SMILES FC1CN(C1)C(=O)c1nc2ccccc2n1-c1ccc(Cl)c(Cl)c1
PDB

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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDE4D3 expressed in baculovirus infected Sf9 cells by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50561539
PNG
(CHEMBL4786718)
Show SMILES Clc1ccc(cc1Cl)-n1c(nc2cccnc12)C(=O)N1CCC2(CCC2)C1
PDB

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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDE4D3 expressed in baculovirus infected Sf9 cells by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561540
PNG
(CHEMBL4790633)
Show SMILES Cc1ccc(cc1Cl)-n1c(cc2cccnc12)C(=O)NC1CCC1
PDB

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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561531
PNG
(CHEMBL4761224)
Show SMILES FC1CN(C1)C(=O)c1nc2ccccc2n1-c1ccc(Cl)c(Cl)c1
PDB

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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561549
PNG
(CHEMBL4745467)
Show SMILES Clc1ccc(cc1)-n1c(cc2cccnc12)C(=O)NC1CC1
PDB

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n/an/a 2.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561530
PNG
(CHEMBL4752210)
Show SMILES Clc1ccc(cc1Cl)-c1c(nn2ccccc12)C(=O)NC1CC1
PDB

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n/an/a 4.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561550
PNG
(CHEMBL4757647)
Show SMILES Clc1ccc(cc1)-n1c(cc2cccnc12)C(=O)NC1CCC1
PDB

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n/an/a 5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50561556
PNG
(CHEMBL4793481)
Show SMILES COc1c(F)cc(cc1F)-n1c(cc2cccnc12)C(=O)N1CC(F)C1
PDB

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n/an/a 6.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDE4D3 expressed in baculovirus infected Sf9 cells by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50561537
PNG
(CHEMBL4783529)
Show SMILES FC1(F)CN(C1)C(=O)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1
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n/an/a 7.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of sigma2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50145438
PNG
(CHEMBL3764124)
Show SMILES CC(C)C1=CC[C@H](CS(=O)(=O)c2ccc3ccccc3c2)[C@]11CCC(=O)C=C1 |r,c:29,t:3|
Show InChI InChI=1S/C24H26O3S/c1-17(2)23-10-8-20(24(23)13-11-21(25)12-14-24)16-28(26,27)22-9-7-18-5-3-4-6-19(18)15-22/h3-7,9-11,13,15,17,20H,8,12,14,16H2,1-2H3/t20-,24+/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis


Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM355756
PNG
(3-(3-Chloro-4-methylphenyl)-N-cyclopropyl-3H-imida...)
Show SMILES Cc1ccc(cc1Cl)-n1c(nc2cccnc12)C(=O)NC1CC1
Show InChI InChI=1S/C17H15ClN4O/c1-10-4-7-12(9-13(10)18)22-15-14(3-2-8-19-15)21-16(22)17(23)20-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,20,23)
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n/an/a 8.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDE4D3 expressed in baculovirus infected Sf9 cells by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50561541
PNG
(CHEMBL4764438)
Show SMILES Cc1ccc(cc1Cl)-n1c(cc2cccnc12)C(=O)NC1CC(F)C1 |(60.04,-30.68,;59.56,-32.15,;58.05,-32.48,;57.58,-33.94,;58.61,-35.08,;60.12,-34.76,;60.59,-33.29,;62.1,-32.97,;58.14,-36.54,;59.04,-37.79,;58.14,-39.03,;56.67,-38.56,;55.34,-39.34,;54,-38.57,;54.01,-37.02,;55.33,-36.25,;56.67,-37.01,;60.58,-37.78,;61.35,-36.45,;61.35,-39.12,;62.89,-39.12,;63.98,-40.21,;65.07,-39.12,;66.61,-39.12,;63.98,-38.03,)|
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n/an/a 9.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50561537
PNG
(CHEMBL4783529)
Show SMILES FC1(F)CN(C1)C(=O)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1
PDB

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


TBA

Assay Description
Inhibition of 5HT2C (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00369
BindingDB Entry DOI: 10.7270/Q2WM1J4P
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50145444
PNG
(CHEMBL3763187)
Show SMILES [#6]-[#6](-[#6])-[#6]1=[#6]-[#6]-[#6@H](-[#6](=O)-[#7]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[C@]11[#6]-[#6]-[#6](=O)-[#6]=[#6]1 |r,c:26,t:3|
Show InChI InChI=1S/C24H35NO2/c1-17(2)7-6-8-19(5)13-16-25-23(27)22-10-9-21(18(3)4)24(22)14-11-20(26)12-15-24/h7,9,11,13-14,18,22H,6,8,10,12,15-16H2,1-5H3,(H,25,27)/b19-13+/t22-,24-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis


Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50145448
PNG
(CHEMBL3764520)
Show SMILES CCn1c2ccccc2c2nnc(SC[C@H]3CC=C(C(C)C)[C@@]33CCC(=O)C=C3)nc12 |r,c:29,t:18|
Show InChI InChI=1S/C25H28N4OS/c1-4-29-21-8-6-5-7-19(21)22-23(29)26-24(28-27-22)31-15-17-9-10-20(16(2)3)25(17)13-11-18(30)12-14-25/h5-8,10-11,13,16-17H,4,9,12,14-15H2,1-3H3/t17-,25+/m1/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis


Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50145436
PNG
(CHEMBL3763512)
Show SMILES CCn1c2ccccc2c2nnc(nc12)S(=O)(=O)C[C@H]1CC=C(C(C)C)[C@@]11CCC(=O)C=C1 |r,c:35,t:24|
Show InChI InChI=1S/C25H28N4O3S/c1-4-29-21-8-6-5-7-19(21)22-23(29)26-24(28-27-22)33(31,32)15-17-9-10-20(16(2)3)25(17)13-11-18(30)12-14-25/h5-8,10-11,13,16-17H,4,9,12,14-15H2,1-3H3/t17-,25+/m1/s1
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n/an/a 7.40E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis


Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50145442
PNG
(CHEMBL3765140)
Show SMILES CC(C)C1=CC[C@H](C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)[C@]11CCC(=O)C=C1 |r,c:31,t:3,TLB:19:14:21:18.17.20,19:18:21:15.14.13,THB:13:14:17:21.12.20,13:12:15.14.19:17,10:12:15.14.19:17|
Show InChI InChI=1S/C26H37NO2/c1-16(2)22-4-5-23(26(22)8-6-21(28)7-9-26)24(29)27-17(3)25-13-18-10-19(14-25)12-20(11-18)15-25/h4,6,8,16-20,23H,5,7,9-15H2,1-3H3,(H,27,29)/t17?,18?,19?,20?,23-,25?,26-/m1/s1
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n/an/a 8.50E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis


Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50145443
PNG
(CHEMBL3765321)
Show SMILES CC(C)C1=CC[C@H](C(=O)NCC2CCC3CC2C3(C)C)[C@]11CCC(=O)C=C1 |r,c:28,t:3,TLB:10:11:17:15|
Show InChI InChI=1S/C24H35NO2/c1-15(2)19-7-8-20(24(19)11-9-18(26)10-12-24)22(27)25-14-16-5-6-17-13-21(16)23(17,3)4/h7,9,11,15-17,20-21H,5-6,8,10,12-14H2,1-4H3,(H,25,27)/t16?,17?,20-,21?,24-/m1/s1
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n/an/a 9.40E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis


Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50145435
PNG
(CHEMBL3765510)
Show SMILES CCCCCCSc1nnc(s1)S(=O)(=O)C[C@H]1CC=C(C(C)C)[C@@]11CCC(=O)C=C1 |r,c:30,t:19|
Show InChI InChI=1S/C22H32N2O3S3/c1-4-5-6-7-14-28-20-23-24-21(29-20)30(26,27)15-17-8-9-19(16(2)3)22(17)12-10-18(25)11-13-22/h9-10,12,16-17H,4-8,11,13-15H2,1-3H3/t17-,22+/m1/s1
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n/an/a 1.21E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis


Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50145439
PNG
(CHEMBL3764221)
Show SMILES CC(C)C1=CC[C@H](C(=O)Nc2ncc(s2)-c2ccc(Cl)cc2)[C@]11CCC(=O)C=C1 |r,c:30,t:3|
Show InChI InChI=1S/C23H23ClN2O2S/c1-14(2)18-7-8-19(23(18)11-9-17(27)10-12-23)21(28)26-22-25-13-20(29-22)15-3-5-16(24)6-4-15/h3-7,9,11,13-14,19H,8,10,12H2,1-2H3,(H,25,26,28)/t19-,23-/m1/s1
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UniChem

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PubMed
n/an/a 1.22E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis


Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
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