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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 4 and 5 (PDE4 and PDE5)' and Ligand = 'BDBM14369'   
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 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM14369
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-meth...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(C)cc2)cc1OC1CCCC1
Show InChI InChI=1S/C29H35N5O3/c1-19-9-11-20(12-10-19)17-36-29(2,3)28-32-25-26(30)31-18-34(27(25)33-28)16-21-13-14-23(35-4)24(15-21)37-22-7-5-6-8-22/h9-15,18,22H,5-8,16-17,30H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.60n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...


J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM14369
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-meth...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(C)cc2)cc1OC1CCCC1
Show InChI InChI=1S/C29H35N5O3/c1-19-9-11-20(12-10-19)17-36-29(2,3)28-32-25-26(30)31-18-34(27(25)33-28)16-21-13-14-23(35-4)24(15-21)37-22-7-5-6-8-22/h9-15,18,22H,5-8,16-17,30H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.60n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...


J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM14369
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-meth...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(C)cc2)cc1OC1CCCC1
Show InChI InChI=1S/C29H35N5O3/c1-19-9-11-20(12-10-19)17-36-29(2,3)28-32-25-26(30)31-18-34(27(25)33-28)16-21-13-14-23(35-4)24(15-21)37-22-7-5-6-8-22/h9-15,18,22H,5-8,16-17,30H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
347n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...


J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
More data for this
Ligand-Target Pair