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PubMed code 25264825

Compile data set for download or QSAR
Found 54 hits of Enzyme Inhibition Constant Data   
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 and 5 (PDE4 and PDE5)


(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 83n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 assessed after 60 mins by IMAP fluorescence polarization assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50277784
PNG
(CHEMBL484928 | N,N,2-trimethyl-5-nitrobenzenesulfo...)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3
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n/an/a 90n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
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 98n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 assessed after 60 mins by IMAP fluorescence polarization assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028886
PNG
(CHEMBL3359633)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccncc2)c(Cl)c1
Show InChI InChI=1S/C11H7ClN2O2S/c12-10-7-8(14(15)16)1-2-11(10)17-9-3-5-13-6-4-9/h1-7H
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n/an/a 180n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028926
PNG
(CHEMBL3359624)
Show SMILES Nc1ccc(Sc2ccc(Cl)cc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H9ClN2O2S/c13-8-1-6-12(11(7-8)15(16)17)18-10-4-2-9(14)3-5-10/h1-7H,14H2
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n/an/a 370n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50028886
PNG
(CHEMBL3359633)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccncc2)c(Cl)c1
Show InChI InChI=1S/C11H7ClN2O2S/c12-10-7-8(14(15)16)1-2-11(10)17-9-3-5-13-6-4-9/h1-7H
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n/an/a 600n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7B assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028887
PNG
(CHEMBL3359635)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1Sc1ccncc1
Show InChI InChI=1S/C11H7ClN2O2S/c12-8-1-2-11(10(7-8)14(15)16)17-9-3-5-13-6-4-9/h1-7H
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n/an/a 720n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028925
PNG
(CHEMBL3359111)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1Sc1ccccc1Br
Show InChI InChI=1S/C12H7BrClNO2S/c13-9-3-1-2-4-11(9)18-12-6-5-8(14)7-10(12)15(16)17/h1-7H
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n/an/a 990n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028917
PNG
(CHEMBL3359103)
Show SMILES [O-][N+](=O)c1ccc(Cl)cc1Sc1ccccc1Br
Show InChI InChI=1S/C12H7BrClNO2S/c13-9-3-1-2-4-11(9)18-12-7-8(14)5-6-10(12)15(16)17/h1-7H
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n/an/a 1.01E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50359737
PNG
(CHEMBL1927722)
Show SMILES S=c1[nH]c2ccccc2c(=S)n1-c1ccccc1
Show InChI InChI=1S/C14H10N2S2/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9H,(H,15,18)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of PDE7 (unknown origin)


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028894
PNG
(CHEMBL3359649)
Show SMILES Br.OCC\N=c1\nc(-c2ccccc2)n(s1)-c1ccccc1
Show InChI InChI=1S/C16H15N3OS.BrH/c20-12-11-17-16-18-15(13-7-3-1-4-8-13)19(21-16)14-9-5-2-6-10-14;/h1-10,20H,11-12H2;1H/b17-16-;
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n/an/a 1.11E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of PDE7 (unknown origin)


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50277784
PNG
(CHEMBL484928 | N,N,2-trimethyl-5-nitrobenzenesulfo...)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3
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n/an/a 1.28E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 assessed after 60 mins by IMAP fluorescence polarization assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028935
PNG
(CHEMBL3359632)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccccn2)c(Cl)c1
Show InChI InChI=1S/C11H7ClN2O2S/c12-9-7-8(14(15)16)4-5-10(9)17-11-3-1-2-6-13-11/h1-7H
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n/an/a 1.29E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50028925
PNG
(CHEMBL3359111)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1Sc1ccccc1Br
Show InChI InChI=1S/C12H7BrClNO2S/c13-9-3-1-2-4-11(9)18-12-6-5-8(14)7-10(12)15(16)17/h1-7H
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n/an/a 1.41E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7B assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028916
PNG
(CHEMBL3359101)
Show SMILES Nc1ccc(Sc2ccc(c(Cl)c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H9ClN2O2S/c13-11-7-10(5-6-12(11)15(16)17)18-9-3-1-8(14)2-4-9/h1-7H,14H2
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n/an/a 1.47E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028927
PNG
(CHEMBL196910)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1Sc1ccccc1
Show InChI InChI=1S/C12H8ClNO2S/c13-9-6-7-12(11(8-9)14(15)16)17-10-4-2-1-3-5-10/h1-8H
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n/an/a 1.50E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50028927
PNG
(CHEMBL196910)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1Sc1ccccc1
Show InChI InChI=1S/C12H8ClNO2S/c13-9-6-7-12(11(8-9)14(15)16)17-10-4-2-1-3-5-10/h1-8H
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n/an/a 1.50E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7B assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028932
PNG
(CHEMBL3359631)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1Sc1cccs1
Show InChI InChI=1S/C10H6ClNO2S2/c11-7-3-4-9(8(6-7)12(13)14)16-10-2-1-5-15-10/h1-6H
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n/an/a 1.60E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50277784
PNG
(CHEMBL484928 | N,N,2-trimethyl-5-nitrobenzenesulfo...)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 assessed after 60 mins by IMAP fluorescence polarization assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028936
PNG
(CHEMBL3359634)
Show SMILES [O-][N+](=O)c1ccc(Cl)cc1Sc1ccncc1
Show InChI InChI=1S/C11H7ClN2O2S/c12-8-1-2-10(14(15)16)11(7-8)17-9-3-5-13-6-4-9/h1-7H
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n/an/a 1.88E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028896
PNG
(CHEMBL3359093)
Show SMILES CC(=O)Nc1ccccc1Sc1cc(Cl)ccc1[N+]([O-])=O
Show InChI InChI=1S/C14H11ClN2O3S/c1-9(18)16-11-4-2-3-5-13(11)21-14-8-10(15)6-7-12(14)17(19)20/h2-8H,1H3,(H,16,18)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028918
PNG
(CHEMBL3359104)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccccc2Br)c(Cl)c1
Show InChI InChI=1S/C12H7BrClNO2S/c13-9-3-1-2-4-11(9)18-12-6-5-8(15(16)17)7-10(12)14/h1-7H
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n/an/a 2.14E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028928
PNG
(CHEMBL3359627)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C12H8ClNO2S/c13-11-8-9(14(15)16)6-7-12(11)17-10-4-2-1-3-5-10/h1-8H
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n/an/a 2.20E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028915
PNG
(CHEMBL3359100)
Show SMILES Nc1ccc(Sc2cc(Cl)ccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H9ClN2O2S/c13-8-1-6-11(15(16)17)12(7-8)18-10-4-2-9(14)3-5-10/h1-7H,14H2
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n/an/a 2.20E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50028917
PNG
(CHEMBL3359103)
Show SMILES [O-][N+](=O)c1ccc(Cl)cc1Sc1ccccc1Br
Show InChI InChI=1S/C12H7BrClNO2S/c13-9-3-1-2-4-11(9)18-12-7-8(14)5-6-10(12)15(16)17/h1-7H
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n/an/a 2.20E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7B assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028930
PNG
(CHEMBL3359629)
Show SMILES Nc1ccc(Oc2ccc(cc2Cl)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H9ClN2O3/c13-11-7-9(15(16)17)3-6-12(11)18-10-4-1-8(14)2-5-10/h1-7H,14H2
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n/an/a 2.20E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028924
PNG
(CHEMBL3359110)
Show SMILES [O-][N+](=O)c1cc(Cl)c(Cl)cc1Sc1ccccc1Br
Show InChI InChI=1S/C12H6BrCl2NO2S/c13-7-3-1-2-4-11(7)19-12-6-9(15)8(14)5-10(12)16(17)18/h1-6H
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n/an/a 2.88E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50028926
PNG
(CHEMBL3359624)
Show SMILES Nc1ccc(Sc2ccc(Cl)cc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H9ClN2O2S/c13-8-1-6-12(11(7-8)15(16)17)18-10-4-2-9(14)3-5-10/h1-7H,14H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7B assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50028887
PNG
(CHEMBL3359635)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1Sc1ccncc1
Show InChI InChI=1S/C11H7ClN2O2S/c12-8-1-2-11(10(7-8)14(15)16)17-9-3-5-13-6-4-9/h1-7H
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n/an/a 3.00E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 assessed after 60 mins by IMAP fluorescence polarization assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028922
PNG
(CHEMBL3359108)
Show SMILES Nc1cccc(Sc2ccc(cc2Cl)[N+]([O-])=O)c1
Show InChI InChI=1S/C12H9ClN2O2S/c13-11-7-9(15(16)17)4-5-12(11)18-10-3-1-2-8(14)6-10/h1-7H,14H2
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n/an/a 3.20E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028929
PNG
(CHEMBL3359628)
Show SMILES Nc1ccc(Oc2ccc(Cl)cc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H9ClN2O3/c13-8-1-6-12(11(7-8)15(16)17)18-10-4-2-9(14)3-5-10/h1-7H,14H2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028934
PNG
(CHEMBL1412666)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1Sc1ccccn1
Show InChI InChI=1S/C11H7ClN2O2S/c12-8-4-5-10(9(7-8)14(15)16)17-11-3-1-2-6-13-11/h1-7H
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n/an/a 3.60E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028937
PNG
(CHEMBL3359636)
Show SMILES CC(=O)c1ccc(Sc2ccncc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10N2O3S/c1-9(16)10-2-3-13(12(8-10)15(17)18)19-11-4-6-14-7-5-11/h2-8H,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028900
PNG
(CHEMBL3359099)
Show SMILES Nc1ccc(Sc2ccc(cc2Cl)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H9ClN2O2S/c13-11-7-9(15(16)17)3-6-12(11)18-10-4-1-8(14)2-5-10/h1-7H,14H2
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n/an/a 3.97E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028890
PNG
(CHEMBL3359651)
Show SMILES Nc1ccccc1Sc1sccc1[N+]([O-])=O
Show InChI InChI=1S/C10H8N2O2S2/c11-7-3-1-2-4-9(7)16-10-8(12(13)14)5-6-15-10/h1-6H,11H2
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n/an/a 4.27E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50028887
PNG
(CHEMBL3359635)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1Sc1ccncc1
Show InChI InChI=1S/C11H7ClN2O2S/c12-8-1-2-11(10(7-8)14(15)16)17-9-3-5-13-6-4-9/h1-7H
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n/an/a 4.40E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 assessed after 60 mins by IMAP fluorescence polarization assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028895
PNG
(CHEMBL451589)
Show SMILES O=c1n(-c2ccccc2)c(=S)[nH]c2ccccc12
Show InChI InChI=1S/C14H10N2OS/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9H,(H,15,18)
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n/an/a 4.68E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50385902
PNG
(CHEMBL2041596)
Show SMILES COc1cc(COC(=O)c2ccc(o2)-c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C21H20O6/c1-23-18-11-14(12-19(24-2)20(18)25-3)13-26-21(22)17-10-9-16(27-17)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3
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n/an/a 5.17E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of PDE7 (unknown origin)


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028931
PNG
(CHEMBL3359630)
Show SMILES [O-][N+](=O)c1ccc(Sc2cccs2)c(Cl)c1
Show InChI InChI=1S/C10H6ClNO2S2/c11-8-6-7(12(13)14)3-4-9(8)16-10-2-1-5-15-10/h1-6H
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n/an/a 5.20E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028919
PNG
(CHEMBL3359105)
Show SMILES Nc1ccccc1Sc1cc(Cl)ccc1[N+]([O-])=O
Show InChI InChI=1S/C12H9ClN2O2S/c13-8-5-6-10(15(16)17)12(7-8)18-11-4-2-1-3-9(11)14/h1-7H,14H2
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n/an/a 5.45E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028921
PNG
(CHEMBL3359107)
Show SMILES Nc1cccc(Sc2ccc(Cl)cc2[N+]([O-])=O)c1
Show InChI InChI=1S/C12H9ClN2O2S/c13-8-4-5-12(11(6-8)15(16)17)18-10-3-1-2-9(14)7-10/h1-7H,14H2
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n/an/a 5.69E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028920
PNG
(CHEMBL3359106)
Show SMILES Nc1ccccc1Sc1ccc(Cl)cc1[N+]([O-])=O
Show InChI InChI=1S/C12H9ClN2O2S/c13-8-5-6-12(10(7-8)15(16)17)18-11-4-2-1-3-9(11)14/h1-7H,14H2
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n/an/a 5.75E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028923
PNG
(CHEMBL3359109)
Show SMILES Nc1ccc(Sc2ccc(F)cc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H9FN2O2S/c13-8-1-6-12(11(7-8)15(16)17)18-10-4-2-9(14)3-5-10/h1-7H,14H2
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n/an/a 6.18E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028897
PNG
(CHEMBL3359094)
Show SMILES Nc1ccccc1Sc1cc(Cl)c(Cl)cc1[N+]([O-])=O
Show InChI InChI=1S/C12H8Cl2N2O2S/c13-7-5-10(16(17)18)12(6-8(7)14)19-11-4-2-1-3-9(11)15/h1-6H,15H2
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n/an/a 6.48E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028938
PNG
(CHEMBL3359640)
Show SMILES Nc1ccc(Sc2ccc(N)cc2Cl)cc1
Show InChI InChI=1S/C12H11ClN2S/c13-11-7-9(15)3-6-12(11)16-10-4-1-8(14)2-5-10/h1-7H,14-15H2
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n/an/a 6.50E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50028886
PNG
(CHEMBL3359633)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccncc2)c(Cl)c1
Show InChI InChI=1S/C11H7ClN2O2S/c12-10-7-8(14(15)16)1-2-11(10)17-9-3-5-13-6-4-9/h1-7H
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n/an/a 6.60E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 assessed after 60 mins by IMAP fluorescence polarization assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028892
PNG
(CHEMBL3359655)
Show SMILES Nc1ccc(Cl)cc1Sc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C12H9ClN2O2S/c13-8-5-6-9(14)12(7-8)18-11-4-2-1-3-10(11)15(16)17/h1-7H,14H2
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n/an/a 7.30E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50028886
PNG
(CHEMBL3359633)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccncc2)c(Cl)c1
Show InChI InChI=1S/C11H7ClN2O2S/c12-10-7-8(14(15)16)1-2-11(10)17-9-3-5-13-6-4-9/h1-7H
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n/an/a 7.30E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 assessed after 60 mins by IMAP fluorescence polarization assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028889
PNG
(CHEMBL1596470)
Show SMILES Nc1ccccc1Sc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C12H10N2O2S/c13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)14(15)16/h1-8H,13H2
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n/an/a 7.60E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028933
PNG
(CHEMBL1347034)
Show SMILES [O-][N+](=O)c1ccc(Cl)cc1Sc1ccccn1
Show InChI InChI=1S/C11H7ClN2O2S/c12-8-4-5-9(14(15)16)10(7-8)17-11-3-1-2-6-13-11/h1-7H
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n/an/a 7.98E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028898
PNG
(CHEMBL3359096)
Show SMILES Nc1ccccc1Sc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C12H9ClN2O2S/c13-9-7-8(15(16)17)5-6-11(9)18-12-4-2-1-3-10(12)14/h1-7H,14H2
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n/an/a 8.77E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028899
PNG
(CHEMBL3359098)
Show SMILES Nc1ccc(Sc2ccc(cc2C(F)(F)F)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H9F3N2O2S/c14-13(15,16)11-7-9(18(19)20)3-6-12(11)21-10-4-1-8(17)2-5-10/h1-7H,17H2
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n/an/a 9.27E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50028887
PNG
(CHEMBL3359635)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1Sc1ccncc1
Show InChI InChI=1S/C11H7ClN2O2S/c12-8-1-2-11(10(7-8)14(15)16)17-9-3-5-13-6-4-9/h1-7H
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n/an/a 1.39E+4n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7B assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028891
PNG
(CHEMBL3359653)
Show SMILES Nc1cc(Cl)ccc1Sc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C12H9ClN2O2S/c13-8-5-6-11(9(14)7-8)18-12-4-2-1-3-10(12)15(16)17/h1-7H,14H2
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n/an/a 1.24E+5n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%