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SMILES: COc1ccc(cc1OCCCCCCOc1ccc(cc1)C(O)=O)C1=NN(C2CCCCCC2)C(=O)C2CC=CCC12

InChI Key: InChIKey=OFNKSFVKBAHXFD-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50473368   
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-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50473368
PNG
(CHEMBL83869)
Show SMILES COc1ccc(cc1OCCCCCCOc1ccc(cc1)C(O)=O)C1=NN(C2CCCCCC2)C(=O)C2CC=CCC12 |c:42,t:27|
Show InChI InChI=1S/C35H44N2O6/c1-41-31-21-18-26(24-32(31)43-23-11-5-4-10-22-42-28-19-16-25(17-20-28)35(39)40)33-29-14-8-9-15-30(29)34(38)37(36-33)27-12-6-2-3-7-13-27/h8-9,16-21,24,27,29-30H,2-7,10-15,22-23H2,1H3,(H,39,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<3.16E+3n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibitory activity of the against phosphodiesterase 3 (PDE3); No significant inhibitory activity at pIC50


J Med Chem 44: 2523-35 (2001)


Article DOI: 10.1021/jm010838c
BindingDB Entry DOI: 10.7270/Q23N2644
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50473368
PNG
(CHEMBL83869)
Show SMILES COc1ccc(cc1OCCCCCCOc1ccc(cc1)C(O)=O)C1=NN(C2CCCCCC2)C(=O)C2CC=CCC12 |c:42,t:27|
Show InChI InChI=1S/C35H44N2O6/c1-41-31-21-18-26(24-32(31)43-23-11-5-4-10-22-42-28-19-16-25(17-20-28)35(39)40)33-29-14-8-9-15-30(29)34(38)37(36-33)27-12-6-2-3-7-13-27/h8-9,16-21,24,27,29-30H,2-7,10-15,22-23H2,1H3,(H,39,40)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) in human neutrophils


J Med Chem 44: 2523-35 (2001)


Article DOI: 10.1021/jm010838c
BindingDB Entry DOI: 10.7270/Q23N2644
More data for this
Ligand-Target Pair