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PubMed code 15780616

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50163876
PNG
(2-[6-(3,4-Dimethoxy-benzylamino)-7-ethyl-7H-purin-...)
Show SMILES CCOC(=O)c1sc(Nc2nc(NCc3ccc(OC)c(OC)c3)c3n(CC)cnc3n2)nc1C
Show InChI InChI=1S/C23H27N7O4S/c1-6-30-12-25-20-17(30)19(24-11-14-8-9-15(32-4)16(10-14)33-5)27-22(28-20)29-23-26-13(3)18(35-23)21(31)34-7-2/h8-10,12H,6-7,11H2,1-5H3,(H2,24,26,27,28,29)
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n/an/a 580n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 3

Bioorg Med Chem Lett 15: 1829-33 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.025
BindingDB Entry DOI: 10.7270/Q2W37X3W
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50146552
PNG
(2-[7-Ethyl-6-(4-sulfamoyl-benzylamino)-7H-purin-2-...)
Show SMILES CCOC(=O)c1sc(Nc2nc(NCc3ccc(cc3)S(N)(=O)=O)c3n(CC)cnc3n2)nc1C
Show InChI InChI=1S/C21H24N8O4S2/c1-4-29-11-24-18-15(29)17(23-10-13-6-8-14(9-7-13)35(22,31)32)26-20(27-18)28-21-25-12(3)16(34-21)19(30)33-5-2/h6-9,11H,4-5,10H2,1-3H3,(H2,22,31,32)(H2,23,25,26,27,28)
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n/an/a 950n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 2

Bioorg Med Chem Lett 15: 1829-33 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.025
BindingDB Entry DOI: 10.7270/Q2W37X3W
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50163876
PNG
(2-[6-(3,4-Dimethoxy-benzylamino)-7-ethyl-7H-purin-...)
Show SMILES CCOC(=O)c1sc(Nc2nc(NCc3ccc(OC)c(OC)c3)c3n(CC)cnc3n2)nc1C
Show InChI InChI=1S/C23H27N7O4S/c1-6-30-12-25-20-17(30)19(24-11-14-8-9-15(32-4)16(10-14)33-5)27-22(28-20)29-23-26-13(3)18(35-23)21(31)34-7-2/h8-10,12H,6-7,11H2,1-5H3,(H2,24,26,27,28,29)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 2

Bioorg Med Chem Lett 15: 1829-33 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.025
BindingDB Entry DOI: 10.7270/Q2W37X3W
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50146552
PNG
(2-[7-Ethyl-6-(4-sulfamoyl-benzylamino)-7H-purin-2-...)
Show SMILES CCOC(=O)c1sc(Nc2nc(NCc3ccc(cc3)S(N)(=O)=O)c3n(CC)cnc3n2)nc1C
Show InChI InChI=1S/C21H24N8O4S2/c1-4-29-11-24-18-15(29)17(23-10-13-6-8-14(9-7-13)35(22,31)32)26-20(27-18)28-21-25-12(3)16(34-21)19(30)33-5-2/h6-9,11H,4-5,10H2,1-3H3,(H2,22,31,32)(H2,23,25,26,27,28)
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n/an/a 2.97E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 3

Bioorg Med Chem Lett 15: 1829-33 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.025
BindingDB Entry DOI: 10.7270/Q2W37X3W
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 3

Bioorg Med Chem Lett 15: 1829-33 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.025
BindingDB Entry DOI: 10.7270/Q2W37X3W
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 3

Bioorg Med Chem Lett 15: 1829-33 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.025
BindingDB Entry DOI: 10.7270/Q2W37X3W
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 2

Bioorg Med Chem Lett 15: 1829-33 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.025
BindingDB Entry DOI: 10.7270/Q2W37X3W
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 2

Bioorg Med Chem Lett 15: 1829-33 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.025
BindingDB Entry DOI: 10.7270/Q2W37X3W
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50163875
PNG
(2-[9-(4-Methanesulfonyl-benzyl)-6-methylamino-9H-p...)
Show SMILES CCOC(=O)c1sc(Nc2nc(NC)c3ncn(Cc4ccc(cc4)S(C)(=O)=O)c3n2)nc1C
Show InChI InChI=1S/C21H23N7O4S2/c1-5-32-19(29)16-12(2)24-21(33-16)27-20-25-17(22-3)15-18(26-20)28(11-23-15)10-13-6-8-14(9-7-13)34(4,30)31/h6-9,11H,5,10H2,1-4H3,(H2,22,24,25,26,27)
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n/an/a 2.33E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 3

Bioorg Med Chem Lett 15: 1829-33 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.025
BindingDB Entry DOI: 10.7270/Q2W37X3W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%