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SMILES: COc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1

InChI Key: InChIKey=ZJXVOPCDMXSVJP-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 5 hits for monomerid = 50421642   
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))
BDBM50421642
PNG
(CHEMBL516604)
Show SMILES COc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C11H16N4O3/c1-6(2)5-15-8-7(12-10(13-8)18-4)9(16)14(3)11(15)17/h6H,5H2,1-4H3,(H,12,13)
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n/an/a 3.02E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 5 (PDE5) from human platelet


Bioorg Med Chem Lett 14: 2955-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.021
BindingDB Entry DOI: 10.7270/Q2M044W1
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50421642
PNG
(CHEMBL516604)
Show SMILES COc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C11H16N4O3/c1-6(2)5-15-8-7(12-10(13-8)18-4)9(16)14(3)11(15)17/h6H,5H2,1-4H3,(H,12,13)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 1 from bovine, calmodulin


Bioorg Med Chem Lett 14: 2955-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.021
BindingDB Entry DOI: 10.7270/Q2M044W1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50421642
PNG
(CHEMBL516604)
Show SMILES COc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C11H16N4O3/c1-6(2)5-15-8-7(12-10(13-8)18-4)9(16)14(3)11(15)17/h6H,5H2,1-4H3,(H,12,13)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 2 from rat kidney


Bioorg Med Chem Lett 14: 2955-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.021
BindingDB Entry DOI: 10.7270/Q2M044W1
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50421642
PNG
(CHEMBL516604)
Show SMILES COc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C11H16N4O3/c1-6(2)5-15-8-7(12-10(13-8)18-4)9(16)14(3)11(15)17/h6H,5H2,1-4H3,(H,12,13)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 3 from human platelet


Bioorg Med Chem Lett 14: 2955-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.021
BindingDB Entry DOI: 10.7270/Q2M044W1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(RAT-Rattus norvegicus)
BDBM50421642
PNG
(CHEMBL516604)
Show SMILES COc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C11H16N4O3/c1-6(2)5-15-8-7(12-10(13-8)18-4)9(16)14(3)11(15)17/h6H,5H2,1-4H3,(H,12,13)
PDB
MMDB

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PC cid
PC sid
UniChem
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 4 (PDE4) from rat kidney


Bioorg Med Chem Lett 14: 2955-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.021
BindingDB Entry DOI: 10.7270/Q2M044W1
More data for this
Ligand-Target Pair