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BDBM50380657 CHEMBL2017081

SMILES: COc1cc2CCn3cnc(c3-c2cc1OC)-c1cccc(c1)N1CCOCC1

InChI Key: InChIKey=SNNCEZIHQHWPHU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50380657   
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))
BDBM50380657
PNG
(CHEMBL2017081)
Show SMILES COc1cc2CCn3cnc(c3-c2cc1OC)-c1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C23H25N3O3/c1-27-20-13-16-6-7-26-15-24-22(23(26)19(16)14-21(20)28-2)17-4-3-5-18(12-17)25-8-10-29-11-9-25/h3-5,12-15H,6-11H2,1-2H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM50380657
PNG
(CHEMBL2017081)
Show SMILES COc1cc2CCn3cnc(c3-c2cc1OC)-c1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C23H25N3O3/c1-27-20-13-16-6-7-26-15-24-22(23(26)19(16)14-21(20)28-2)17-4-3-5-18(12-17)25-8-10-29-11-9-25/h3-5,12-15H,6-11H2,1-2H3
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.47E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50380657
PNG
(CHEMBL2017081)
Show SMILES COc1cc2CCn3cnc(c3-c2cc1OC)-c1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C23H25N3O3/c1-27-20-13-16-6-7-26-15-24-22(23(26)19(16)14-21(20)28-2)17-4-3-5-18(12-17)25-8-10-29-11-9-25/h3-5,12-15H,6-11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.50E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair