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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 = 'BDBM14370'   
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))
BDBM14370
PNG
(8-{1-[(4-Chlorobenzyl)oxy]-1-methyl-ethyl}-3-[3-cy...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(Cl)cc2)cc1OC1CCCC1
Show InChI InChI=1S/C28H32ClN5O3/c1-28(2,36-16-18-8-11-20(29)12-9-18)27-32-24-25(30)31-17-34(26(24)33-27)15-19-10-13-22(35-3)23(14-19)37-21-6-4-5-7-21/h8-14,17,21H,4-7,15-16,30H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.80n/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))
BDBM14370
PNG
(8-{1-[(4-Chlorobenzyl)oxy]-1-methyl-ethyl}-3-[3-cy...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(Cl)cc2)cc1OC1CCCC1
Show InChI InChI=1S/C28H32ClN5O3/c1-28(2,36-16-18-8-11-20(29)12-9-18)27-32-24-25(30)31-17-34(26(24)33-27)15-19-10-13-22(35-3)23(14-19)37-21-6-4-5-7-21/h8-14,17,21H,4-7,15-16,30H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.80n/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))
BDBM14370
PNG
(8-{1-[(4-Chlorobenzyl)oxy]-1-methyl-ethyl}-3-[3-cy...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(Cl)cc2)cc1OC1CCCC1
Show InChI InChI=1S/C28H32ClN5O3/c1-28(2,36-16-18-8-11-20(29)12-9-18)27-32-24-25(30)31-17-34(26(24)33-27)15-19-10-13-22(35-3)23(14-19)37-21-6-4-5-7-21/h8-14,17,21H,4-7,15-16,30H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
205n/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