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SMILES: FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Cl

InChI Key: InChIKey=IOCQLERZNMLYQW-UHFFFAOYSA-N

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 14 hits for monomerid = 50208310   
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
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B


(Homo sapiens (Human))
BDBM50208310
PNG
(CHEMBL3883753)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H18ClF2NO3/c20-14-7-3-4-8-15(14)23-18(24)12-9-10-16(26-19(21)22)17(11-12)25-13-5-1-2-6-13/h3-4,7-11,13,19H,1-2,5-6H2,(H,23,24)
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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-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50208310
PNG
(CHEMBL3883753)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H18ClF2NO3/c20-14-7-3-4-8-15(14)23-18(24)12-9-10-16(26-19(21)22)17(11-12)25-13-5-1-2-6-13/h3-4,7-11,13,19H,1-2,5-6H2,(H,23,24)
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n/an/a 400n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50208310
PNG
(CHEMBL3883753)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H18ClF2NO3/c20-14-7-3-4-8-15(14)23-18(24)12-9-10-16(26-19(21)22)17(11-12)25-13-5-1-2-6-13/h3-4,7-11,13,19H,1-2,5-6H2,(H,23,24)
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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
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'


(Homo sapiens (Human))
BDBM50208310
PNG
(CHEMBL3883753)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H18ClF2NO3/c20-14-7-3-4-8-15(14)23-18(24)12-9-10-16(26-19(21)22)17(11-12)25-13-5-1-2-6-13/h3-4,7-11,13,19H,1-2,5-6H2,(H,23,24)
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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
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50208310
PNG
(CHEMBL3883753)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H18ClF2NO3/c20-14-7-3-4-8-15(14)23-18(24)12-9-10-16(26-19(21)22)17(11-12)25-13-5-1-2-6-13/h3-4,7-11,13,19H,1-2,5-6H2,(H,23,24)
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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 PDE11A 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
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A


(Homo sapiens (Human))
BDBM50208310
PNG
(CHEMBL3883753)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H18ClF2NO3/c20-14-7-3-4-8-15(14)23-18(24)12-9-10-16(26-19(21)22)17(11-12)25-13-5-1-2-6-13/h3-4,7-11,13,19H,1-2,5-6H2,(H,23,24)
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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 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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50208310
PNG
(CHEMBL3883753)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H18ClF2NO3/c20-14-7-3-4-8-15(14)23-18(24)12-9-10-16(26-19(21)22)17(11-12)25-13-5-1-2-6-13/h3-4,7-11,13,19H,1-2,5-6H2,(H,23,24)
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n/an/a 144n/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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50208310
PNG
(CHEMBL3883753)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H18ClF2NO3/c20-14-7-3-4-8-15(14)23-18(24)12-9-10-16(26-19(21)22)17(11-12)25-13-5-1-2-6-13/h3-4,7-11,13,19H,1-2,5-6H2,(H,23,24)
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n/an/a 95n/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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM50208310
PNG
(CHEMBL3883753)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H18ClF2NO3/c20-14-7-3-4-8-15(14)23-18(24)12-9-10-16(26-19(21)22)17(11-12)25-13-5-1-2-6-13/h3-4,7-11,13,19H,1-2,5-6H2,(H,23,24)
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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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50208310
PNG
(CHEMBL3883753)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H18ClF2NO3/c20-14-7-3-4-8-15(14)23-18(24)12-9-10-16(26-19(21)22)17(11-12)25-13-5-1-2-6-13/h3-4,7-11,13,19H,1-2,5-6H2,(H,23,24)
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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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50208310
PNG
(CHEMBL3883753)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H18ClF2NO3/c20-14-7-3-4-8-15(14)23-18(24)12-9-10-16(26-19(21)22)17(11-12)25-13-5-1-2-6-13/h3-4,7-11,13,19H,1-2,5-6H2,(H,23,24)
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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
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50208310
PNG
(CHEMBL3883753)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H18ClF2NO3/c20-14-7-3-4-8-15(14)23-18(24)12-9-10-16(26-19(21)22)17(11-12)25-13-5-1-2-6-13/h3-4,7-11,13,19H,1-2,5-6H2,(H,23,24)
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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 4D


(Homo sapiens (Human))
BDBM50208310
PNG
(CHEMBL3883753)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H18ClF2NO3/c20-14-7-3-4-8-15(14)23-18(24)12-9-10-16(26-19(21)22)17(11-12)25-13-5-1-2-6-13/h3-4,7-11,13,19H,1-2,5-6H2,(H,23,24)
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n/an/a 22n/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-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50208310
PNG
(CHEMBL3883753)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H18ClF2NO3/c20-14-7-3-4-8-15(14)23-18(24)12-9-10-16(26-19(21)22)17(11-12)25-13-5-1-2-6-13/h3-4,7-11,13,19H,1-2,5-6H2,(H,23,24)
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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