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BDBM50208311 CHEMBL3885161

SMILES: FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1cccnc1

InChI Key: InChIKey=BPBJURKFWJXNTD-UHFFFAOYSA-N

Data: 13 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50208311   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50208311
PNG
(CHEMBL3885161)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H18F2N2O3/c19-18(20)25-15-8-7-12(10-16(15)24-14-5-1-2-6-14)17(23)22-13-4-3-9-21-11-13/h3-4,7-11,14,18H,1-2,5-6H2,(H,22,23)
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n/an/a 39n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length human PDE4B1 using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay


Eur J Med Chem 124: 372-379 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.052
BindingDB Entry DOI: 10.7270/Q29P33N6
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50208311
PNG
(CHEMBL3885161)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H18F2N2O3/c19-18(20)25-15-8-7-12(10-16(15)24-14-5-1-2-6-14)17(23)22-13-4-3-9-21-11-13/h3-4,7-11,14,18H,1-2,5-6H2,(H,22,23)
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n/an/a>1n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay


Eur J Med Chem 124: 372-379 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.052
BindingDB Entry DOI: 10.7270/Q29P33N6
More data for this
Ligand-Target Pair
Phosphodiesterase 6C (PDE6C)


(Homo sapiens (Human))
BDBM50208311
PNG
(CHEMBL3885161)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H18F2N2O3/c19-18(20)25-15-8-7-12(10-16(15)24-14-5-1-2-6-14)17(23)22-13-4-3-9-21-11-13/h3-4,7-11,14,18H,1-2,5-6H2,(H,22,23)
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n/an/a>1n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human PDE6C using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay


Eur J Med Chem 124: 372-379 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.052
BindingDB Entry DOI: 10.7270/Q29P33N6
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (Human))
BDBM50208311
PNG
(CHEMBL3885161)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H18F2N2O3/c19-18(20)25-15-8-7-12(10-16(15)24-14-5-1-2-6-14)17(23)22-13-4-3-9-21-11-13/h3-4,7-11,14,18H,1-2,5-6H2,(H,22,23)
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Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human PDE8A1 using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay


Eur J Med Chem 124: 372-379 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.052
BindingDB Entry DOI: 10.7270/Q29P33N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50208311
PNG
(CHEMBL3885161)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H18F2N2O3/c19-18(20)25-15-8-7-12(10-16(15)24-14-5-1-2-6-14)17(23)22-13-4-3-9-21-11-13/h3-4,7-11,14,18H,1-2,5-6H2,(H,22,23)
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n/an/a>1n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay


Eur J Med Chem 124: 372-379 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.052
BindingDB Entry DOI: 10.7270/Q29P33N6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C isoform 1


(Homo sapiens (Human))
BDBM50208311
PNG
(CHEMBL3885161)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H18F2N2O3/c19-18(20)25-15-8-7-12(10-16(15)24-14-5-1-2-6-14)17(23)22-13-4-3-9-21-11-13/h3-4,7-11,14,18H,1-2,5-6H2,(H,22,23)
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n/an/a 294n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length human PDE4C1 using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay


Eur J Med Chem 124: 372-379 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.052
BindingDB Entry DOI: 10.7270/Q29P33N6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50208311
PNG
(CHEMBL3885161)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H18F2N2O3/c19-18(20)25-15-8-7-12(10-16(15)24-14-5-1-2-6-14)17(23)22-13-4-3-9-21-11-13/h3-4,7-11,14,18H,1-2,5-6H2,(H,22,23)
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n/an/a 68n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length human PDE4D7 using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay


Eur J Med Chem 124: 372-379 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.052
BindingDB Entry DOI: 10.7270/Q29P33N6
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B


(Homo sapiens (Human))
BDBM50208311
PNG
(CHEMBL3885161)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H18F2N2O3/c19-18(20)25-15-8-7-12(10-16(15)24-14-5-1-2-6-14)17(23)22-13-4-3-9-21-11-13/h3-4,7-11,14,18H,1-2,5-6H2,(H,22,23)
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n/an/a>1n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3B using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay


Eur J Med Chem 124: 372-379 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.052
BindingDB Entry DOI: 10.7270/Q29P33N6
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50208311
PNG
(CHEMBL3885161)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H18F2N2O3/c19-18(20)25-15-8-7-12(10-16(15)24-14-5-1-2-6-14)17(23)22-13-4-3-9-21-11-13/h3-4,7-11,14,18H,1-2,5-6H2,(H,22,23)
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n/an/a>1n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay


Eur J Med Chem 124: 372-379 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.052
BindingDB Entry DOI: 10.7270/Q29P33N6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM50208311
PNG
(CHEMBL3885161)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H18F2N2O3/c19-18(20)25-15-8-7-12(10-16(15)24-14-5-1-2-6-14)17(23)22-13-4-3-9-21-11-13/h3-4,7-11,14,18H,1-2,5-6H2,(H,22,23)
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n/an/a>1n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human PDE1A using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay


Eur J Med Chem 124: 372-379 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.052
BindingDB Entry DOI: 10.7270/Q29P33N6
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50208311
PNG
(CHEMBL3885161)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H18F2N2O3/c19-18(20)25-15-8-7-12(10-16(15)24-14-5-1-2-6-14)17(23)22-13-4-3-9-21-11-13/h3-4,7-11,14,18H,1-2,5-6H2,(H,22,23)
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n/an/a>1n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay


Eur J Med Chem 124: 372-379 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.052
BindingDB Entry DOI: 10.7270/Q29P33N6
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50208311
PNG
(CHEMBL3885161)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H18F2N2O3/c19-18(20)25-15-8-7-12(10-16(15)24-14-5-1-2-6-14)17(23)22-13-4-3-9-21-11-13/h3-4,7-11,14,18H,1-2,5-6H2,(H,22,23)
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n/an/a>1n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human PDE9A2 using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay


Eur J Med Chem 124: 372-379 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.052
BindingDB Entry DOI: 10.7270/Q29P33N6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50208311
PNG
(CHEMBL3885161)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H18F2N2O3/c19-18(20)25-15-8-7-12(10-16(15)24-14-5-1-2-6-14)17(23)22-13-4-3-9-21-11-13/h3-4,7-11,14,18H,1-2,5-6H2,(H,22,23)
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n/an/a 117n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length human PDE4A4 using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay


Eur J Med Chem 124: 372-379 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.052
BindingDB Entry DOI: 10.7270/Q29P33N6
More data for this
Ligand-Target Pair