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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 4' and Ligand = 'BDBM50072200'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM50072200
PNG
(3-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-(2-hydr...)
Show SMILES COc1cc2c(nc(OCCCO)nc2cc1OCCO)-c1cc(OCC2CC2)cc(OCC2CC2)c1
Show InChI InChI=1S/C28H34N2O7/c1-33-25-14-23-24(15-26(25)34-10-8-32)29-28(35-9-2-7-31)30-27(23)20-11-21(36-16-18-3-4-18)13-22(12-20)37-17-19-5-6-19/h11-15,18-19,31-32H,2-10,16-17H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 145n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL




Bioorg Med Chem Lett 8: 2891-6 (1999)


BindingDB Entry DOI: 10.7270/Q2PG1QVX
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT)
BDBM50072200
PNG
(3-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-(2-hydr...)
Show SMILES COc1cc2c(nc(OCCCO)nc2cc1OCCO)-c1cc(OCC2CC2)cc(OCC2CC2)c1
Show InChI InChI=1S/C28H34N2O7/c1-33-25-14-23-24(15-26(25)34-10-8-32)29-28(35-9-2-7-31)30-27(23)20-11-21(36-16-18-3-4-18)13-22(12-20)37-17-19-5-6-19/h11-15,18-19,31-32H,2-10,16-17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 200n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Evaluated for its ability to inhibit PDE4B.


Bioorg Med Chem Lett 8: 2891-6 (1999)


BindingDB Entry DOI: 10.7270/Q2PG1QVX
More data for this
Ligand-Target Pair