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Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'suphakun' and Initial = 'p'   
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-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		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 2n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50518237
PNG
(CHEMBL4552529)
Show SMILES [Na;v0+].[#8-]-[#6](=O)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncc2c(-[#7]-[#6]-c3ccc4-[#8]-[#6]-[#8]-c4c3)c(Cl)ccc2n1
Show InChI InChI=1S/C22H21ClN4O4/c23-16-2-3-17-15(11-25-22(26-17)27-7-5-14(6-8-27)21(28)29)20(16)24-10-13-1-4-18-19(9-13)31-12-30-18/h1-4,9,11,14,24H,5-8,10,12H2,(H,28,29)/p-1
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n/an/a 3.90n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of PDE5 (unknown origin)

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50334594
PNG
(2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)
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n/an/a 4n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human AURKA

Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM192755
PNG
(TG101209 | US11279703, TABLE 6.171 | US11643396, E...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1
Show InChI InChI=1S/C26H35N7O2S/c1-19-18-27-25(29-20-9-11-22(12-10-20)33-15-13-32(5)14-16-33)30-24(19)28-21-7-6-8-23(17-21)36(34,35)31-26(2,3)4/h6-12,17-18,31H,13-16H2,1-5H3,(H2,27,28,29,30)
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n/an/a 6n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK2

Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50208589
PNG
(CHEMBL3884848)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1C
Show InChI InChI=1S/C23H28N6/c1-17-5-4-6-19(15-17)25-22-9-10-24-23(27-22)26-20-7-8-21(18(2)16-20)29-13-11-28(3)12-14-29/h4-10,15-16H,11-14H2,1-3H3,(H2,24,25,26,27)
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n/an/a 50n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 using poly (Glu:Tyr) as substrate

Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518228
PNG
(CHEMBL4445920)
Show SMILES NS(=O)(=O)c1cccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)c1
Show InChI InChI=1S/C21H19N5O2S/c22-29(27,28)17-10-6-9-16(13-17)24-21-25-19-12-5-4-11-18(19)20(26-21)23-14-15-7-2-1-3-8-15/h1-13H,14H2,(H2,22,27,28)(H2,23,24,25,26)
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n/an/a 72n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518224
PNG
(CHEMBL4570769)
Show SMILES NS(=O)(=O)c1cccc(Nc2nc(NCc3cccs3)c3ccccc3n2)c1
Show InChI InChI=1S/C19H17N5O2S2/c20-28(25,26)15-7-3-5-13(11-15)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-14-6-4-10-27-14/h1-11H,12H2,(H2,20,25,26)(H2,21,22,23,24)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518223
PNG
(CHEMBL4529354)
Show SMILES NS(=O)(=O)c1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1
Show InChI InChI=1S/C19H17N5O3S/c20-28(25,26)15-7-3-5-13(11-15)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-14-6-4-10-27-14/h1-11H,12H2,(H2,20,25,26)(H2,21,22,23,24)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50208590
PNG
(CHEMBL3884104)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(c3)S(N)(=O)=O)n2)cc1C
Show InChI InChI=1S/C22H27N7O2S/c1-16-14-18(6-7-20(16)29-12-10-28(2)11-13-29)26-22-24-9-8-21(27-22)25-17-4-3-5-19(15-17)32(23,30)31/h3-9,14-15H,10-13H2,1-2H3,(H2,23,30,31)(H2,24,25,26,27)
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n/an/a 126n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 using poly (Glu:Tyr) as substrate

Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50208588
PNG
(CHEMBL3884240)
Show SMILES NS(=O)(=O)c1cccc(Nc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)c1
Show InChI InChI=1S/C20H22N6O3S/c21-30(27,28)18-3-1-2-16(14-18)23-19-8-9-22-20(25-19)24-15-4-6-17(7-5-15)26-10-12-29-13-11-26/h1-9,14H,10-13H2,(H2,21,27,28)(H2,22,23,24,25)
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n/an/a 129n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 using poly (Glu:Tyr) as substrate

Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50208592
PNG
(CHEMBL3883652)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1
Show InChI InChI=1S/C22H26N6/c1-17-4-3-5-19(16-17)24-21-10-11-23-22(26-21)25-18-6-8-20(9-7-18)28-14-12-27(2)13-15-28/h3-11,16H,12-15H2,1-2H3,(H2,23,24,25,26)
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n/an/a 140n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 using poly (Glu:Tyr) as substrate

Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518225
PNG
(CHEMBL4434898)
Show SMILES NC(=O)c1ccc(Nc2nc(NCc3cccs3)c3ccccc3n2)cc1
Show InChI InChI=1S/C20H17N5OS/c21-18(26)13-7-9-14(10-8-13)23-20-24-17-6-2-1-5-16(17)19(25-20)22-12-15-4-3-11-27-15/h1-11H,12H2,(H2,21,26)(H2,22,23,24,25)
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n/an/a 177n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518217
PNG
(CHEMBL4544782)
Show SMILES COc1cc2nc(Nc3cccc(c3)S(N)(=O)=O)nc(NCc3ccccc3)c2cc1OC
Show InChI InChI=1S/C23H23N5O4S/c1-31-20-12-18-19(13-21(20)32-2)27-23(26-16-9-6-10-17(11-16)33(24,29)30)28-22(18)25-14-15-7-4-3-5-8-15/h3-13H,14H2,1-2H3,(H2,24,29,30)(H2,25,26,27,28)
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n/an/a 218n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518232
PNG
(CHEMBL4460740)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NCc3cccs3)c3ccccc3n2)cc1
Show InChI InChI=1S/C19H17N5O2S2/c20-28(25,26)15-9-7-13(8-10-15)22-19-23-17-6-2-1-5-16(17)18(24-19)21-12-14-4-3-11-27-14/h1-11H,12H2,(H2,20,25,26)(H2,21,22,23,24)
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n/an/a 224n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518220
PNG
(CHEMBL4540726)
Show SMILES COc1cc2nc(Nc3cccc(c3)S(N)(=O)=O)nc(NCc3ccco3)c2cc1OC
Show InChI InChI=1S/C21H21N5O5S/c1-29-18-10-16-17(11-19(18)30-2)25-21(26-20(16)23-12-14-6-4-8-31-14)24-13-5-3-7-15(9-13)32(22,27)28/h3-11H,12H2,1-2H3,(H2,22,27,28)(H2,23,24,25,26)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518234
PNG
(CHEMBL4516390)
Show SMILES NC(=O)c1cccc(Nc2nc(NCc3cccs3)c3ccccc3n2)c1
Show InChI InChI=1S/C20H17N5OS/c21-18(26)13-5-3-6-14(11-13)23-20-24-17-9-2-1-8-16(17)19(25-20)22-12-15-7-4-10-27-15/h1-11H,12H2,(H2,21,26)(H2,22,23,24,25)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518227
PNG
(CHEMBL4452377)
Show SMILES COc1cccc(CNc2nc(Nc3cccc(c3)S(N)(=O)=O)nc3ccccc23)c1
Show InChI InChI=1S/C22H21N5O3S/c1-30-17-8-4-6-15(12-17)14-24-21-19-10-2-3-11-20(19)26-22(27-21)25-16-7-5-9-18(13-16)31(23,28)29/h2-13H,14H2,1H3,(H2,23,28,29)(H2,24,25,26,27)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518233
PNG
(CHEMBL4526365)
Show SMILES COc1cccc(CNc2nc(Nc3cccc(c3)S(N)(=O)=O)nc3cc(OC)c(OC)cc23)c1
Show InChI InChI=1S/C24H25N5O5S/c1-32-17-8-4-6-15(10-17)14-26-23-19-12-21(33-2)22(34-3)13-20(19)28-24(29-23)27-16-7-5-9-18(11-16)35(25,30)31/h4-13H,14H2,1-3H3,(H2,25,30,31)(H2,26,27,28,29)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518226
PNG
(CHEMBL4534674)
Show SMILES C(Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2ccccc12)c1cccs1
Show InChI InChI=1S/C23H23N5OS/c1-2-6-21-20(5-1)22(24-16-19-4-3-15-30-19)27-23(26-21)25-17-7-9-18(10-8-17)28-11-13-29-14-12-28/h1-10,15H,11-14,16H2,(H2,24,25,26,27)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518230
PNG
(CHEMBL4453311)
Show SMILES C(Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H25N5O/c1-2-6-19(7-3-1)18-26-24-22-8-4-5-9-23(22)28-25(29-24)27-20-10-12-21(13-11-20)30-14-16-31-17-15-30/h1-13H,14-18H2,(H2,26,27,28,29)
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n/an/a 525n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518221
PNG
(CHEMBL4450878)
Show SMILES COc1cc2nc(Nc3cccc(c3)S(N)(=O)=O)nc(NCc3cccs3)c2cc1OC
Show InChI InChI=1S/C21H21N5O4S2/c1-29-18-10-16-17(11-19(18)30-2)25-21(26-20(16)23-12-14-6-4-8-31-14)24-13-5-3-7-15(9-13)32(22,27)28/h3-11H,12H2,1-2H3,(H2,22,27,28)(H2,23,24,25,26)
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n/an/a 555n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518218
PNG
(CHEMBL4567109)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(Nc2nc(NCc3cccs3)c3ccccc3n2)cc1
Show InChI InChI=1S/C26H22N6OS/c33-26(29-18-7-2-1-3-8-18)30-20-14-12-19(13-15-20)28-25-31-23-11-5-4-10-22(23)24(32-25)27-17-21-9-6-16-34-21/h1-16H,17H2,(H2,29,30,33)(H2,27,28,31,32)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518229
PNG
(CHEMBL4558761)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1
Show InChI InChI=1S/C21H19N5O2S/c22-29(27,28)17-12-10-16(11-13-17)24-21-25-19-9-5-4-8-18(19)20(26-21)23-14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,22,27,28)(H2,23,24,25,26)
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n/an/a 946n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518236
PNG
(CHEMBL4469064)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1
Show InChI InChI=1S/C23H23N5O2S/c1-28(2)31(29,30)19-14-12-18(13-15-19)25-23-26-21-11-7-6-10-20(21)22(27-23)24-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H2,24,25,26,27)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518231
PNG
(CHEMBL597248 | GNF-Pf-4180 | MMV006169)
Show SMILES C(Nc1nc(Nc2ccccc2)nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H18N4/c1-3-9-16(10-4-1)15-22-20-18-13-7-8-14-19(18)24-21(25-20)23-17-11-5-2-6-12-17/h1-14H,15H2,(H2,22,23,24,25)
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n/an/a 1.38E+3n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518235
PNG
(CHEMBL4525521)
Show SMILES C(Nc1nc(Nc2ccccc2)nc2ccccc12)c1cccs1
Show InChI InChI=1S/C19H16N4S/c1-2-7-14(8-3-1)21-19-22-17-11-5-4-10-16(17)18(23-19)20-13-15-9-6-12-24-15/h1-12H,13H2,(H2,20,21,22,23)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50208589
PNG
(CHEMBL3884848)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1C
Show InChI InChI=1S/C23H28N6/c1-17-5-4-6-19(15-17)25-22-9-10-24-23(27-22)26-20-7-8-21(18(2)16-20)29-13-11-28(3)12-14-29/h4-10,15-16H,11-14H2,1-3H3,(H2,24,25,26,27)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 using poly (Glu:Tyr) as substrate

Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50208592
PNG
(CHEMBL3883652)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1
Show InChI InChI=1S/C22H26N6/c1-17-4-3-5-19(16-17)24-21-10-11-23-22(26-21)25-18-6-8-20(9-7-18)28-14-12-27(2)13-15-28/h3-11,16H,12-15H2,1-2H3,(H2,23,24,25,26)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 using poly (Glu:Tyr) as substrate

Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518222
PNG
(CHEMBL4552918)
Show SMILES Cc1cc(Nc2nc(Nc3cccc(c3)S(N)(=O)=O)nc3ccccc23)n[nH]1
Show InChI InChI=1S/C18H17N7O2S/c1-11-9-16(25-24-11)22-17-14-7-2-3-8-15(14)21-18(23-17)20-12-5-4-6-13(10-12)28(19,26)27/h2-10H,1H3,(H2,19,26,27)(H3,20,21,22,23,24,25)
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n/an/a 3.71E+3n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50208590
PNG
(CHEMBL3884104)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(c3)S(N)(=O)=O)n2)cc1C
Show InChI InChI=1S/C22H27N7O2S/c1-16-14-18(6-7-20(16)29-12-10-28(2)11-13-29)26-22-24-9-8-21(27-22)25-17-4-3-5-19(15-17)32(23,30)31/h3-9,14-15H,10-13H2,1-2H3,(H2,23,30,31)(H2,24,25,26,27)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 using poly (Glu:Tyr) as substrate

Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50208588
PNG
(CHEMBL3884240)
Show SMILES NS(=O)(=O)c1cccc(Nc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)c1
Show InChI InChI=1S/C20H22N6O3S/c21-30(27,28)18-3-1-2-16(14-18)23-19-8-9-22-20(25-19)24-15-4-6-17(7-5-15)26-10-12-29-13-11-26/h1-9,14H,10-13H2,(H2,21,27,28)(H2,22,23,24,25)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 using poly (Glu:Tyr) as substrate

Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM50518219
PNG
(CHEMBL4565213)
Show SMILES Clc1cnc(Nc2ccccc2)nc1NCc1ccccc1
Show InChI InChI=1S/C17H15ClN4/c18-15-12-20-17(21-14-9-5-2-6-10-14)22-16(15)19-11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,19,20,21,22)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method

Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50208592
PNG
(CHEMBL3883652)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1
Show InChI InChI=1S/C22H26N6/c1-17-4-3-5-19(16-17)24-21-10-11-23-22(26-21)25-18-6-8-20(9-7-18)28-14-12-27(2)13-15-28/h3-11,16H,12-15H2,1-2H3,(H2,23,24,25,26)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay

Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))		BDBM50262022
PNG
(CHEMBL4098016)
Show SMILES COc1ccc(cc1)-c1ccnc(Nc2cccc(N)c2)n1
Show InChI InChI=1S/C17H16N4O/c1-22-15-7-5-12(6-8-15)16-9-10-19-17(21-16)20-14-4-2-3-13(18)11-14/h2-11H,18H2,1H3,(H,19,20,21)
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n/an/a 8.10E+4n/an/an/an/an/an/a



Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand.

Curated by ChEMBL


Assay Description
Inhibition of human CDK5

Bioorg Med Chem Lett 27: 4749-4754 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.063
BindingDB Entry DOI: 10.7270/Q2D2213J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50208591
PNG
(CHEMBL3885292)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C#N)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1C
Show InChI InChI=1S/C27H34N8O2S/c1-19-15-22(9-10-24(19)35-13-11-34(5)12-14-35)31-26-29-18-20(17-28)25(32-26)30-21-7-6-8-23(16-21)38(36,37)33-27(2,3)4/h6-10,15-16,18,33H,11-14H2,1-5H3,(H2,29,30,31,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 using poly (Glu:Tyr) as substrate

Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50208591
PNG
(CHEMBL3885292)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C#N)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1C
Show InChI InChI=1S/C27H34N8O2S/c1-19-15-22(9-10-24(19)35-13-11-34(5)12-14-35)31-26-29-18-20(17-28)25(32-26)30-21-7-6-8-23(16-21)38(36,37)33-27(2,3)4/h6-10,15-16,18,33H,11-14H2,1-5H3,(H2,29,30,31,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 using poly (Glu:Tyr) as substrate

Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50208588
PNG
(CHEMBL3884240)
Show SMILES NS(=O)(=O)c1cccc(Nc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)c1
Show InChI InChI=1S/C20H22N6O3S/c21-30(27,28)18-3-1-2-16(14-18)23-19-8-9-22-20(25-19)24-15-4-6-17(7-5-15)26-10-12-29-13-11-26/h1-9,14H,10-13H2,(H2,21,27,28)(H2,22,23,24,25)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay

Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50208591
PNG
(CHEMBL3885292)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C#N)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1C
Show InChI InChI=1S/C27H34N8O2S/c1-19-15-22(9-10-24(19)35-13-11-34(5)12-14-35)31-26-29-18-20(17-28)25(32-26)30-21-7-6-8-23(16-21)38(36,37)33-27(2,3)4/h6-10,15-16,18,33H,11-14H2,1-5H3,(H2,29,30,31,32)
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n/an/a>1.50E+5n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay

Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50208590
PNG
(CHEMBL3884104)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(c3)S(N)(=O)=O)n2)cc1C
Show InChI InChI=1S/C22H27N7O2S/c1-16-14-18(6-7-20(16)29-12-10-28(2)11-13-29)26-22-24-9-8-21(27-22)25-17-4-3-5-19(15-17)32(23,30)31/h3-9,14-15H,10-13H2,1-2H3,(H2,23,30,31)(H2,24,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
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PC cid
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UniChem

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Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay

Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50208589
PNG
(CHEMBL3884848)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1C
Show InChI InChI=1S/C23H28N6/c1-17-5-4-6-19(15-17)25-22-9-10-24-23(27-22)26-20-7-8-21(18(2)16-20)29-13-11-28(3)12-14-29/h4-10,15-16H,11-14H2,1-3H3,(H2,24,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay

Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q
More data for this
Ligand-Target Pair