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BDBM14377 3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-cyano-benzyloxy)-1-methyl-ethyl]-3Hpurin-6-ylamine::V11294 Analogue 5m

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

InChI Key: InChIKey=HSACCCVGEPQOSD-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 = 14377   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(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
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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
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(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
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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
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(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
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Article
PubMed
71.3n/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
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(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
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Article
PubMed
1.19E+3 -8.00n/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
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(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
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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
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair