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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 = 'BDBM14377'   
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))
BDBM14377
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-cyan...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C#N)cc1OC1CCCC1
Show InChI InChI=1S/C29H32N6O3/c1-29(2,37-17-20-10-8-19(15-30)9-11-20)28-33-25-26(31)32-18-35(27(25)34-28)16-21-12-13-23(36-3)24(14-21)38-22-6-4-5-7-22/h8-14,18,22H,4-7,16-17,31H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
19.4n/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))
BDBM14377
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-cyan...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C#N)cc1OC1CCCC1
Show InChI InChI=1S/C29H32N6O3/c1-29(2,37-17-20-10-8-19(15-30)9-11-20)28-33-25-26(31)32-18-35(27(25)34-28)16-21-12-13-23(36-3)24(14-21)38-22-6-4-5-7-22/h8-14,18,22H,4-7,16-17,31H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
33.4n/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))
BDBM14377
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-cyan...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C#N)cc1OC1CCCC1
Show InChI InChI=1S/C29H32N6O3/c1-29(2,37-17-20-10-8-19(15-30)9-11-20)28-33-25-26(31)32-18-35(27(25)34-28)16-21-12-13-23(36-3)24(14-21)38-22-6-4-5-7-22/h8-14,18,22H,4-7,16-17,31H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.84E+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