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BDBM14389 3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-fluoro-benzyloxy)-ethyl]-3H-purin-6-ylamine::3-{[3-(cyclopentyloxy)-4-methoxyphenyl]methyl}-8-{1-[(4-fluorophenyl)methoxy]ethyl}-3H-purin-6-amine::V11294 Analogue 8c

SMILES: COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)OCc2ccc(F)cc2)cc1OC1CCCC1

InChI Key: InChIKey=AZEYTBCGGJIEGL-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 14389   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM14389
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-fluo...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)OCc2ccc(F)cc2)cc1OC1CCCC1
Show InChI InChI=1S/C27H30FN5O3/c1-17(35-15-18-7-10-20(28)11-8-18)26-31-24-25(29)30-16-33(27(24)32-26)14-19-9-12-22(34-2)23(13-19)36-21-5-3-4-6-21/h7-13,16-17,21H,3-6,14-15,29H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
115n/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))
BDBM14389
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-fluo...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)OCc2ccc(F)cc2)cc1OC1CCCC1
Show InChI InChI=1S/C27H30FN5O3/c1-17(35-15-18-7-10-20(28)11-8-18)26-31-24-25(29)30-16-33(27(24)32-26)14-19-9-12-22(34-2)23(13-19)36-21-5-3-4-6-21/h7-13,16-17,21H,3-6,14-15,29H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
231n/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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14389
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-fluo...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)OCc2ccc(F)cc2)cc1OC1CCCC1
Show InChI InChI=1S/C27H30FN5O3/c1-17(35-15-18-7-10-20(28)11-8-18)26-31-24-25(29)30-16-33(27(24)32-26)14-19-9-12-22(34-2)23(13-19)36-21-5-3-4-6-21/h7-13,16-17,21H,3-6,14-15,29H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
269n/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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM14389
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-fluo...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)OCc2ccc(F)cc2)cc1OC1CCCC1
Show InChI InChI=1S/C27H30FN5O3/c1-17(35-15-18-7-10-20(28)11-8-18)26-31-24-25(29)30-16-33(27(24)32-26)14-19-9-12-22(34-2)23(13-19)36-21-5-3-4-6-21/h7-13,16-17,21H,3-6,14-15,29H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.39E+3 -7.38n/an/an/an/an/a8.022



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))
BDBM14389
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-fluo...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)OCc2ccc(F)cc2)cc1OC1CCCC1
Show InChI InChI=1S/C27H30FN5O3/c1-17(35-15-18-7-10-20(28)11-8-18)26-31-24-25(29)30-16-33(27(24)32-26)14-19-9-12-22(34-2)23(13-19)36-21-5-3-4-6-21/h7-13,16-17,21H,3-6,14-15,29H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.30E+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