new BindingDB logo
myBDB logout

BDBM50362048 CHEMBL1940058

SMILES: CC(C)Oc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1

InChI Key: InChIKey=BXLXWGMNQZCEKI-UHFFFAOYSA-N

Data: 10 KI

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 = 50362048   
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 and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362048
PNG
(CHEMBL1940058)
Show SMILES CC(C)Oc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O2/c1-13(2)27-16-10-14(3)20-17(11-16)18(12-25-6-5-8-26-9-7-25)19-15(4)23-24-21(19)22-20/h10-11,13H,5-9,12H2,1-4H3,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from human recombinant PDE10A1 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50362048
PNG
(CHEMBL1940058)
Show SMILES CC(C)Oc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O2/c1-13(2)27-16-10-14(3)20-17(11-16)18(12-25-6-5-8-26-9-7-25)19-15(4)23-24-21(19)22-20/h10-11,13H,5-9,12H2,1-4H3,(H,22,23,24)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE11A3 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50362048
PNG
(CHEMBL1940058)
Show SMILES CC(C)Oc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O2/c1-13(2)27-16-10-14(3)20-17(11-16)18(12-25-6-5-8-26-9-7-25)19-15(4)23-24-21(19)22-20/h10-11,13H,5-9,12H2,1-4H3,(H,22,23,24)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE1A3 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50362048
PNG
(CHEMBL1940058)
Show SMILES CC(C)Oc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O2/c1-13(2)27-16-10-14(3)20-17(11-16)18(12-25-6-5-8-26-9-7-25)19-15(4)23-24-21(19)22-20/h10-11,13H,5-9,12H2,1-4H3,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE9A1 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM50362048
PNG
(CHEMBL1940058)
Show SMILES CC(C)Oc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O2/c1-13(2)27-16-10-14(3)20-17(11-16)18(12-25-6-5-8-26-9-7-25)19-15(4)23-24-21(19)22-20/h10-11,13H,5-9,12H2,1-4H3,(H,22,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE3A by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50362048
PNG
(CHEMBL1940058)
Show SMILES CC(C)Oc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O2/c1-13(2)27-16-10-14(3)20-17(11-16)18(12-25-6-5-8-26-9-7-25)19-15(4)23-24-21(19)22-20/h10-11,13H,5-9,12H2,1-4H3,(H,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE4B2 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50362048
PNG
(CHEMBL1940058)
Show SMILES CC(C)Oc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O2/c1-13(2)27-16-10-14(3)20-17(11-16)18(12-25-6-5-8-26-9-7-25)19-15(4)23-24-21(19)22-20/h10-11,13H,5-9,12H2,1-4H3,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE7A1 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (Human))
BDBM50362048
PNG
(CHEMBL1940058)
Show SMILES CC(C)Oc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O2/c1-13(2)27-16-10-14(3)20-17(11-16)18(12-25-6-5-8-26-9-7-25)19-15(4)23-24-21(19)22-20/h10-11,13H,5-9,12H2,1-4H3,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE8A1 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50362048
PNG
(CHEMBL1940058)
Show SMILES CC(C)Oc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O2/c1-13(2)27-16-10-14(3)20-17(11-16)18(12-25-6-5-8-26-9-7-25)19-15(4)23-24-21(19)22-20/h10-11,13H,5-9,12H2,1-4H3,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE5A1 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50362048
PNG
(CHEMBL1940058)
Show SMILES CC(C)Oc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O2/c1-13(2)27-16-10-14(3)20-17(11-16)18(12-25-6-5-8-26-9-7-25)19-15(4)23-24-21(19)22-20/h10-11,13H,5-9,12H2,1-4H3,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE2A by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair