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SMILES: COc1ccc(cc1OC)C1=NN(Cc2ccccc2)C(=O)C2CCCCC12

InChI Key: InChIKey=SPNSPIATZGICGL-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 3 hits for monomerid = 50473358   
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-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50473358
PNG
(CHEMBL81960)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccccc2)C(=O)C2CCCCC12 |t:11|
Show InChI InChI=1S/C23H26N2O3/c1-27-20-13-12-17(14-21(20)28-2)22-18-10-6-7-11-19(18)23(26)25(24-22)15-16-8-4-3-5-9-16/h3-5,8-9,12-14,18-19H,6-7,10-11,15H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50473358
PNG
(CHEMBL81960)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccccc2)C(=O)C2CCCCC12 |t:11|
Show InChI InChI=1S/C23H26N2O3/c1-27-20-13-12-17(14-21(20)28-2)22-18-10-6-7-11-19(18)23(26)25(24-22)15-16-8-4-3-5-9-16/h3-5,8-9,12-14,18-19H,6-7,10-11,15H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 4 (PDE4) in cytosol of human neutrophils


J Med Chem 45: 2520-5 (2002)


Article DOI: 10.1021/jm0110340
BindingDB Entry DOI: 10.7270/Q2862K56
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50473358
PNG
(CHEMBL81960)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccccc2)C(=O)C2CCCCC12 |t:11|
Show InChI InChI=1S/C23H26N2O3/c1-27-20-13-12-17(14-21(20)28-2)22-18-10-6-7-11-19(18)23(26)25(24-22)15-16-8-4-3-5-9-16/h3-5,8-9,12-14,18-19H,6-7,10-11,15H2,1-2H3
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