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BDBM50356428 CHEMBL1911572

SMILES: CCN(CC)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1

InChI Key: InChIKey=WZRPREYJPXVHGG-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50356428   
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-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50356428
PNG
(CHEMBL1911572)
Show SMILES CCN(CC)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C26H24ClFN4O3/c1-3-31(4-2)17-10-8-16(9-11-17)29-26(35)19-15-32(14-18-20(27)6-5-7-21(18)28)22-12-13-23(33)30-24(22)25(19)34/h5-13,15H,3-4,14H2,1-2H3,(H,29,35)(H,30,33)
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n/an/a>5.00E+3n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5A


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50356428
PNG
(CHEMBL1911572)
Show SMILES CCN(CC)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C26H24ClFN4O3/c1-3-31(4-2)17-10-8-16(9-11-17)29-26(35)19-15-32(14-18-20(27)6-5-7-21(18)28)22-12-13-23(33)30-24(22)25(19)34/h5-13,15H,3-4,14H2,1-2H3,(H,29,35)(H,30,33)
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n/an/a>5.00E+3n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE11A


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM50356428
PNG
(CHEMBL1911572)
Show SMILES CCN(CC)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C26H24ClFN4O3/c1-3-31(4-2)17-10-8-16(9-11-17)29-26(35)19-15-32(14-18-20(27)6-5-7-21(18)28)22-12-13-23(33)30-24(22)25(19)34/h5-13,15H,3-4,14H2,1-2H3,(H,29,35)(H,30,33)
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n/an/a>5.00E+3n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1B


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50356428
PNG
(CHEMBL1911572)
Show SMILES CCN(CC)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C26H24ClFN4O3/c1-3-31(4-2)17-10-8-16(9-11-17)29-26(35)19-15-32(14-18-20(27)6-5-7-21(18)28)22-12-13-23(33)30-24(22)25(19)34/h5-13,15H,3-4,14H2,1-2H3,(H,29,35)(H,30,33)
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n/an/a>5.00E+3n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE2A


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50356428
PNG
(CHEMBL1911572)
Show SMILES CCN(CC)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C26H24ClFN4O3/c1-3-31(4-2)17-10-8-16(9-11-17)29-26(35)19-15-32(14-18-20(27)6-5-7-21(18)28)22-12-13-23(33)30-24(22)25(19)34/h5-13,15H,3-4,14H2,1-2H3,(H,29,35)(H,30,33)
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n/an/a>5.00E+3n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4A4 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A


(Homo sapiens (Human))
BDBM50356428
PNG
(CHEMBL1911572)
Show SMILES CCN(CC)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C26H24ClFN4O3/c1-3-31(4-2)17-10-8-16(9-11-17)29-26(35)19-15-32(14-18-20(27)6-5-7-21(18)28)22-12-13-23(33)30-24(22)25(19)34/h5-13,15H,3-4,14H2,1-2H3,(H,29,35)(H,30,33)
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n/an/a>5.00E+3n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE8A


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50356428
PNG
(CHEMBL1911572)
Show SMILES CCN(CC)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C26H24ClFN4O3/c1-3-31(4-2)17-10-8-16(9-11-17)29-26(35)19-15-32(14-18-20(27)6-5-7-21(18)28)22-12-13-23(33)30-24(22)25(19)34/h5-13,15H,3-4,14H2,1-2H3,(H,29,35)(H,30,33)
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n/an/a>5.00E+3n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50356428
PNG
(CHEMBL1911572)
Show SMILES CCN(CC)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C26H24ClFN4O3/c1-3-31(4-2)17-10-8-16(9-11-17)29-26(35)19-15-32(14-18-20(27)6-5-7-21(18)28)22-12-13-23(33)30-24(22)25(19)34/h5-13,15H,3-4,14H2,1-2H3,(H,29,35)(H,30,33)
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n/an/a>5.00E+3n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50356428
PNG
(CHEMBL1911572)
Show SMILES CCN(CC)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C26H24ClFN4O3/c1-3-31(4-2)17-10-8-16(9-11-17)29-26(35)19-15-32(14-18-20(27)6-5-7-21(18)28)22-12-13-23(33)30-24(22)25(19)34/h5-13,15H,3-4,14H2,1-2H3,(H,29,35)(H,30,33)
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n/an/a 60n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase A


(Homo sapiens (Human))
BDBM50356428
PNG
(CHEMBL1911572)
Show SMILES CCN(CC)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C26H24ClFN4O3/c1-3-31(4-2)17-10-8-16(9-11-17)29-26(35)19-15-32(14-18-20(27)6-5-7-21(18)28)22-12-13-23(33)30-24(22)25(19)34/h5-13,15H,3-4,14H2,1-2H3,(H,29,35)(H,30,33)
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n/an/a>5.00E+3n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair