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BDBM50385906 CHEMBL2041597

SMILES: COc1cc(COC(=O)c2ccc(o2)-c2ccccc2C(F)(F)F)cc(OC)c1OC

InChI Key: InChIKey=HOVKCNXSFFJEQX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50385906   
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
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM50385906
PNG
(CHEMBL2041597)
Show SMILES COc1cc(COC(=O)c2ccc(o2)-c2ccccc2C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C22H19F3O6/c1-27-18-10-13(11-19(28-2)20(18)29-3)12-30-21(26)17-9-8-16(31-17)14-6-4-5-7-15(14)22(23,24)25/h4-11H,12H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A-mediated [3H]cAMP hydrolysis after 20 mins by scintillation proximity assay


J Med Chem 55: 3274-84 (2012)


Article DOI: 10.1021/jm201720d
BindingDB Entry DOI: 10.7270/Q2ZS2XJB
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50385906
PNG
(CHEMBL2041597)
Show SMILES COc1cc(COC(=O)c2ccc(o2)-c2ccccc2C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C22H19F3O6/c1-27-18-10-13(11-19(28-2)20(18)29-3)12-30-21(26)17-9-8-16(31-17)14-6-4-5-7-15(14)22(23,24)25/h4-11H,12H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.63E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1-mediated [3H]cAMP hydrolysis after 20 mins by scintillation proximity assay


J Med Chem 55: 3274-84 (2012)


Article DOI: 10.1021/jm201720d
BindingDB Entry DOI: 10.7270/Q2ZS2XJB
More data for this
Ligand-Target Pair