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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 = 'BDBM14375'   
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))
BDBM14375
PNG
((2E)-but-2-enedioic acid; 3-{[3-(cyclopentyloxy)-4...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(F)c(F)c2)cc1OC1CCCC1
Show InChI InChI=1S/C28H31F2N5O3/c1-28(2,37-15-18-8-10-20(29)21(30)12-18)27-33-24-25(31)32-16-35(26(24)34-27)14-17-9-11-22(36-3)23(13-17)38-19-6-4-5-7-19/h8-13,16,19H,4-7,14-15,31H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
13n/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))
BDBM14375
PNG
((2E)-but-2-enedioic acid; 3-{[3-(cyclopentyloxy)-4...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(F)c(F)c2)cc1OC1CCCC1
Show InChI InChI=1S/C28H31F2N5O3/c1-28(2,37-15-18-8-10-20(29)21(30)12-18)27-33-24-25(31)32-16-35(26(24)34-27)14-17-9-11-22(36-3)23(13-17)38-19-6-4-5-7-19/h8-13,16,19H,4-7,14-15,31H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
13.3n/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
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM14375
PNG
((2E)-but-2-enedioic acid; 3-{[3-(cyclopentyloxy)-4...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(F)c(F)c2)cc1OC1CCCC1
Show InChI InChI=1S/C28H31F2N5O3/c1-28(2,37-15-18-8-10-20(29)21(30)12-18)27-33-24-25(31)32-16-35(26(24)34-27)14-17-9-11-22(36-3)23(13-17)38-19-6-4-5-7-19/h8-13,16,19H,4-7,14-15,31H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
459n/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