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Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'pettersson' and Initial = 'h'   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29098
PNG
(dibenzothiazepine, 12e)
Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)cc1 |c:19|
Show InChI InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)17-10-13-22-20(15-17)27-23(16-8-11-18(25)12-9-16)19-6-4-5-7-21(19)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)
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0.200 -54.8n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29100
PNG
(dibenzothiazepine, 12h)
Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(F)c(Cl)c1 |c:19|
Show InChI InChI=1S/C24H20ClFN2OS/c1-2-3-12-27-24(29)16-9-11-22-20(14-16)28-23(15-8-10-19(26)18(25)13-15)17-6-4-5-7-21(17)30-22/h4-11,13-14H,2-3,12H2,1H3,(H,27,29)
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0.200 -54.8n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29096
PNG
(dibenzothiazepine, 12b)
Show SMILES Clc1cccc(CNC(=O)c2ccc3Sc4ccccc4C(=Nc3c2)N2CCCCC2)c1 |c:22|
Show InChI InChI=1S/C26H24ClN3OS/c27-20-8-6-7-18(15-20)17-28-26(31)19-11-12-24-22(16-19)29-25(30-13-4-1-5-14-30)21-9-2-3-10-23(21)32-24/h2-3,6-12,15-16H,1,4-5,13-14,17H2,(H,28,31)
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0.320 -53.6n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29097
PNG
(dibenzothiazepine, 12c)
Show SMILES FC1(F)CCN(CC1)C1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCc1cccc(Cl)c1 |t:9|
Show InChI InChI=1S/C26H22ClF2N3OS/c27-19-5-3-4-17(14-19)16-30-25(33)18-8-9-23-21(15-18)31-24(20-6-1-2-7-22(20)34-23)32-12-10-26(28,29)11-13-32/h1-9,14-15H,10-13,16H2,(H,30,33)
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0.790 -51.4n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29101
PNG
(dibenzothiazepine, 12j)
Show SMILES CC(C)CNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)s1 |c:19|
Show InChI InChI=1S/C22H19ClN2OS2/c1-13(2)12-24-22(26)14-7-8-18-16(11-14)25-21(19-9-10-20(23)28-19)15-5-3-4-6-17(15)27-18/h3-11,13H,12H2,1-2H3,(H,24,26)
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1.20 -50.4n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29102
PNG
(dibenzothiazepine, 12k)
Show SMILES CC(C)CCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccccn1 |c:20|
Show InChI InChI=1S/C24H23N3OS/c1-16(2)12-14-26-24(28)17-10-11-22-20(15-17)27-23(19-8-5-6-13-25-19)18-7-3-4-9-21(18)29-22/h3-11,13,15-16H,12,14H2,1-2H3,(H,26,28)
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1.60 -49.7n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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2 -49.2n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29095
PNG
(dibenzothiazepine, 12a)
Show SMILES O=C(NN1CCCCC1)c1ccc2Sc3ccccc3C(=Nc2c1)C1CCCCC1 |c:22|
Show InChI InChI=1S/C25H29N3OS/c29-25(27-28-15-7-2-8-16-28)19-13-14-23-21(17-19)26-24(18-9-3-1-4-10-18)20-11-5-6-12-22(20)30-23/h5-6,11-14,17-18H,1-4,7-10,15-16H2,(H,27,29)
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3 -48.2n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29094
PNG
((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
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3 -48.2n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29099
PNG
(dibenzothiazepine, 12g)
Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccccc1Cl |c:19|
Show InChI InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)16-12-13-22-20(15-16)27-23(17-8-4-6-10-19(17)25)18-9-5-7-11-21(18)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)
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25 -43.0n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29103
PNG
(dibenzothiazepine, 13)
Show SMILES CCCC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)cc1 |c:17|
Show InChI InChI=1S/C23H18ClNOS/c1-2-5-20(26)16-10-13-22-19(14-16)25-23(15-8-11-17(24)12-9-15)18-6-3-4-7-21(18)27-22/h3-4,6-14H,2,5H2,1H3
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40 -41.8n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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398 -36.2n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29100
PNG
(dibenzothiazepine, 12h)
Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(F)c(Cl)c1 |c:19|
Show InChI InChI=1S/C24H20ClFN2OS/c1-2-3-12-27-24(29)16-9-11-22-20(14-16)28-23(15-8-10-19(26)18(25)13-15)17-6-4-5-7-21(17)30-22/h4-11,13-14H,2-3,12H2,1H3,(H,27,29)
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1.00E+3 -33.9n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29097
PNG
(dibenzothiazepine, 12c)
Show SMILES FC1(F)CCN(CC1)C1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCc1cccc(Cl)c1 |t:9|
Show InChI InChI=1S/C26H22ClF2N3OS/c27-19-5-3-4-17(14-19)16-30-25(33)18-8-9-23-21(15-18)31-24(20-6-1-2-7-22(20)34-23)32-12-10-26(28,29)11-13-32/h1-9,14-15H,10-13,16H2,(H,30,33)
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PubMed
1.26E+3 -33.3n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29094
PNG
((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
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2.00E+3 -32.2n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29099
PNG
(dibenzothiazepine, 12g)
Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccccc1Cl |c:19|
Show InChI InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)16-12-13-22-20(15-16)27-23(17-8-4-6-10-19(17)25)18-9-5-7-11-21(18)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)
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5.01E+3 -29.9n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM14774
PNG
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PDE4 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548547
PNG
(CHEMBL4784121)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)NCC(C)C
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n/an/a 0.680n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PDE4D in human PBMC assessed as reduction in lipopolysaccharide-induced TNFalpha production pre-incubated for 30 mins before LPS stimul...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548547
PNG
(CHEMBL4784121)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)NCC(C)C
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50548531
PNG
(CHEMBL4747201)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)OCC(C)C
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PDE4A catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50548531
PNG
(CHEMBL4747201)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)OCC(C)C
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TBA

Assay Description
Inhibition of human PDE4B catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM130923
PNG
(US8829190, 101)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1CC1
Show InChI InChI=1S/C17H14Cl2N4O2/c1-25-15-5-4-13(23-17(15)21-16(22-23)9-2-3-9)14(24)6-10-11(18)7-20-8-12(10)19/h4-5,7-9H,2-3,6H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PDE4 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548527
PNG
(CHEMBL4740828)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)OC1CCCCC1
PDB

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TBA

Assay Description
Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548555
PNG
(CHEMBL4779112)
Show SMILES COc1ccc(-c2cccc(c2)C#N)n2nc(nc12)C1(CC1)C(=O)NCC(C)C
PDB

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TBA

Assay Description
Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548528
PNG
(CHEMBL4740242)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)OC1CCCC1
PDB

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TBA

Assay Description
Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548526
PNG
(CHEMBL4750576)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)OC1CCCCCC1
PDB

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TBA

Assay Description
Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50048446
PNG
(CHEMBL3315088)
Show SMILES CCCNC(=O)COc1c(ccc(OC)c1OC)C(=O)Cc1c(Cl)cncc1Cl
Show InChI InChI=1S/C20H22Cl2N2O5/c1-4-7-24-18(26)11-29-19-12(5-6-17(27-2)20(19)28-3)16(25)8-13-14(21)9-23-10-15(13)22/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,24,26)
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n/an/a 2.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PDE4 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548527
PNG
(CHEMBL4740828)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)OC1CCCCC1
PDB

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TBA

Assay Description
Inhibition of PDE4D in human PBMC assessed as reduction in lipopolysaccharide-induced TNFalpha production pre-incubated for 30 mins before LPS stimul...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50548531
PNG
(CHEMBL4747201)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)OCC(C)C
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PDE4C catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548528
PNG
(CHEMBL4740242)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)OC1CCCC1
PDB

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TBA

Assay Description
Inhibition of PDE4D in human PBMC assessed as reduction in lipopolysaccharide-induced TNFalpha production pre-incubated for 30 mins before LPS stimul...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548555
PNG
(CHEMBL4779112)
Show SMILES COc1ccc(-c2cccc(c2)C#N)n2nc(nc12)C1(CC1)C(=O)NCC(C)C
PDB

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TBA

Assay Description
Inhibition of PDE4D in human PBMC assessed as reduction in lipopolysaccharide-induced TNFalpha production pre-incubated for 30 mins before LPS stimul...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548531
PNG
(CHEMBL4747201)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)OCC(C)C
PDB

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TBA

Assay Description
Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548526
PNG
(CHEMBL4750576)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)OC1CCCCCC1
PDB

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TBA

Assay Description
Inhibition of PDE4D in human PBMC assessed as reduction in lipopolysaccharide-induced TNFalpha production pre-incubated for 30 mins before LPS stimul...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548533
PNG
(CHEMBL4739987)
Show SMILES CC[C@@H](C)OC(=O)C1(CC1)c1nc2c(OC)ccc(-c3ccc4C(=O)OCc4c3)n2n1 |r|
PDB

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TBA

Assay Description
Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548533
PNG
(CHEMBL4739987)
Show SMILES CC[C@@H](C)OC(=O)C1(CC1)c1nc2c(OC)ccc(-c3ccc4C(=O)OCc4c3)n2n1 |r|
PDB

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TBA

Assay Description
Inhibition of PDE4D in human PBMC assessed as reduction in lipopolysaccharide-induced TNFalpha production pre-incubated for 30 mins before LPS stimul...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548543
PNG
(CHEMBL4741065)
Show SMILES COc1ccc(-c2cccc(c2)C#N)n2nc(nc12)C1(COC(=O)C(C)C)CC1
PDB

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TBA

Assay Description
Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548532
PNG
(CHEMBL4764289)
Show SMILES CC[C@H](C)OC(=O)C1(CC1)c1nc2c(OC)ccc(-c3ccc4C(=O)OCc4c3)n2n1 |r|
PDB

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TBA

Assay Description
Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548531
PNG
(CHEMBL4747201)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)OCC(C)C
PDB

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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PDE4D in human PBMC assessed as reduction in lipopolysaccharide-induced TNFalpha production pre-incubated for 30 mins before LPS stimul...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548534
PNG
(CHEMBL4761069)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)OC(C)(C)C
PDB

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TBA

Assay Description
Inhibition of PDE4D in human PBMC assessed as reduction in lipopolysaccharide-induced TNFalpha production pre-incubated for 30 mins before LPS stimul...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548532
PNG
(CHEMBL4764289)
Show SMILES CC[C@H](C)OC(=O)C1(CC1)c1nc2c(OC)ccc(-c3ccc4C(=O)OCc4c3)n2n1 |r|
PDB

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n/an/a 6.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PDE4D in human PBMC assessed as reduction in lipopolysaccharide-induced TNFalpha production pre-incubated for 30 mins before LPS stimul...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548511
PNG
(CHEMBL4744621)
Show SMILES COc1ccc(-c2ccc(cc2)C(O)=O)n2nc(nc12)C1(CC1)C(=O)NCC(C)C
PDB

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TBA

Assay Description
Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548553
PNG
(CHEMBL4795054)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(OC)c2nc(nn12)C1(CC1)C(=O)NCC(C)C
PDB

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TBA

Assay Description
Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548529
PNG
(CHEMBL4745874)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)OC1CCC1
PDB

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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548534
PNG
(CHEMBL4761069)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)OC(C)(C)C
PDB

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TBA

Assay Description
Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548566
PNG
(CHEMBL4796321)
Show SMILES COc1ccc(-c2cccc(c2)C(C)=O)n2nc(nc12)C1CC1
PDB

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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548509
PNG
(CHEMBL4792140)
Show SMILES COc1ccc(-c2ccc(C(O)=O)c(CO)c2)n2nc(nc12)C1(CC1)C(=O)NCC(C)C
PDB

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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548530
PNG
(CHEMBL4753953)
Show SMILES CCCCOC(=O)C1(CC1)c1nc2c(OC)ccc(-c3ccc4C(=O)OCc4c3)n2n1
PDB

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TBA

Assay Description
Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548529
PNG
(CHEMBL4745874)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)OC1CCC1
PDB

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TBA

Assay Description
Inhibition of PDE4D in human PBMC assessed as reduction in lipopolysaccharide-induced TNFalpha production pre-incubated for 30 mins before LPS stimul...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548523
PNG
(CHEMBL4782606)
Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)O[C@H]1CCOC1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50548536
PNG
(CHEMBL4759431)
Show SMILES CCCOC(=O)C1(CC1)c1nc2c(OC)ccc(-c3ccc4C(=O)OCc4c3)n2n1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PDE4D in human PBMC assessed as reduction in lipopolysaccharide-induced TNFalpha production pre-incubated for 30 mins before LPS stimul...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00797
BindingDB Entry DOI: 10.7270/Q2T43XPQ
More data for this
Ligand-Target Pair
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