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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 = 'BDBM14386'   
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))
BDBM14386
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1,1-dimet...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)COc2ccsc2)cc1OC1CCCC1
Show InChI InChI=1S/C26H31N5O3S/c1-26(2,15-33-19-10-11-35-14-19)25-29-22-23(27)28-16-31(24(22)30-25)13-17-8-9-20(32-3)21(12-17)34-18-6-4-5-7-18/h8-12,14,16,18H,4-7,13,15,27H2,1-3H3
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))
BDBM14386
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1,1-dimet...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)COc2ccsc2)cc1OC1CCCC1
Show InChI InChI=1S/C26H31N5O3S/c1-26(2,15-33-19-10-11-35-14-19)25-29-22-23(27)28-16-31(24(22)30-25)13-17-8-9-20(32-3)21(12-17)34-18-6-4-5-7-18/h8-12,14,16,18H,4-7,13,15,27H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9n/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))
BDBM14386
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1,1-dimet...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)COc2ccsc2)cc1OC1CCCC1
Show InChI InChI=1S/C26H31N5O3S/c1-26(2,15-33-19-10-11-35-14-19)25-29-22-23(27)28-16-31(24(22)30-25)13-17-8-9-20(32-3)21(12-17)34-18-6-4-5-7-18/h8-12,14,16,18H,4-7,13,15,27H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.68E+3n/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