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SMILES: COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC

InChI Key: InChIKey=JTROLECZHRVLFM-JTQLQIEISA-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 12 hits for monomerid = 50272569   
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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM50272569
PNG
(CHEMBL4128481)
Show SMILES COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC |r|
Show InChI InChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)/t10-/m0/s1
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n/an/a 9.10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PDE1B1 using 3',5'-[3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 61: 4635-4640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00374
BindingDB Entry DOI: 10.7270/Q2J67KDQ
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50272569
PNG
(CHEMBL4128481)
Show SMILES COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC |r|
Show InChI InChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)/t10-/m0/s1
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n/an/a>142n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6A using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 61: 4635-4640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00374
BindingDB Entry DOI: 10.7270/Q2J67KDQ
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50272569
PNG
(CHEMBL4128481)
Show SMILES COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC |r|
Show InChI InChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)/t10-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PDE8B using 3',5'-[3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 61: 4635-4640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00374
BindingDB Entry DOI: 10.7270/Q2J67KDQ
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50272569
PNG
(CHEMBL4128481)
Show SMILES COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC |r|
Show InChI InChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)/t10-/m0/s1
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n/an/a>200n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PDE9A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 61: 4635-4640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00374
BindingDB Entry DOI: 10.7270/Q2J67KDQ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50272569
PNG
(CHEMBL4128481)
Show SMILES COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC |r|
Show InChI InChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)/t10-/m0/s1
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n/an/a 409n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PDE10A1 using 3',5'-[3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 61: 4635-4640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00374
BindingDB Entry DOI: 10.7270/Q2J67KDQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50272569
PNG
(CHEMBL4128481)
Show SMILES COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC |r|
Show InChI InChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)/t10-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PDE7B using 3',5'-[3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 61: 4635-4640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00374
BindingDB Entry DOI: 10.7270/Q2J67KDQ
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM50272569
PNG
(CHEMBL4128481)
Show SMILES COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC |r|
Show InChI InChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)/t10-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PDE1A using 3',5'-[3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 61: 4635-4640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00374
BindingDB Entry DOI: 10.7270/Q2J67KDQ
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM50272569
PNG
(CHEMBL4128481)
Show SMILES COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC |r|
Show InChI InChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)/t10-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PDE1C using 3',5'-[3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 61: 4635-4640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00374
BindingDB Entry DOI: 10.7270/Q2J67KDQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50272569
PNG
(CHEMBL4128481)
Show SMILES COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC |r|
Show InChI InChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)/t10-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 61: 4635-4640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00374
BindingDB Entry DOI: 10.7270/Q2J67KDQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50272569
PNG
(CHEMBL4128481)
Show SMILES COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC |r|
Show InChI InChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)/t10-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PDE4D3 using 3',5'-[3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 61: 4635-4640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00374
BindingDB Entry DOI: 10.7270/Q2J67KDQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50272569
PNG
(CHEMBL4128481)
Show SMILES COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC |r|
Show InChI InChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)/t10-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PDE5A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 61: 4635-4640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00374
BindingDB Entry DOI: 10.7270/Q2J67KDQ
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50272569
PNG
(CHEMBL4128481)
Show SMILES COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC |r|
Show InChI InChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)/t10-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PDE11A4 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 61: 4635-4640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00374
BindingDB Entry DOI: 10.7270/Q2J67KDQ
More data for this
Ligand-Target Pair