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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 = 'BDBM14371'   
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))
BDBM14371
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(2-fluo...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccccc2F)cc1OC1CCCC1
Show InChI InChI=1S/C28H32FN5O3/c1-28(2,36-16-19-8-4-7-11-21(19)29)27-32-24-25(30)31-17-34(26(24)33-27)15-18-12-13-22(35-3)23(14-18)37-20-9-5-6-10-20/h4,7-8,11-14,17,20H,5-6,9-10,15-16,30H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
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Article
PubMed
6.80n/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))
BDBM14371
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(2-fluo...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccccc2F)cc1OC1CCCC1
Show InChI InChI=1S/C28H32FN5O3/c1-28(2,36-16-19-8-4-7-11-21(19)29)27-32-24-25(30)31-17-34(26(24)33-27)15-18-12-13-22(35-3)23(14-18)37-20-9-5-6-10-20/h4,7-8,11-14,17,20H,5-6,9-10,15-16,30H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
11n/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))
BDBM14371
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(2-fluo...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccccc2F)cc1OC1CCCC1
Show InChI InChI=1S/C28H32FN5O3/c1-28(2,36-16-19-8-4-7-11-21(19)29)27-32-24-25(30)31-17-34(26(24)33-27)15-18-12-13-22(35-3)23(14-18)37-20-9-5-6-10-20/h4,7-8,11-14,17,20H,5-6,9-10,15-16,30H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
427n/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