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Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'thurairatnam' and Initial = 's'   
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 4A


(Sus scrofa)
BDBM50041849
PNG
(3-(Bicyclo[2.2.1]hept-2-yloxy)-N-(3,5-dichloro-pyr...)
Show SMILES COc1ccc(cc1OC1CC2CCC1C2)C(=O)Nc1c(Cl)cncc1Cl |TLB:8:9:15:13.12|
Show InChI InChI=1S/C20H20Cl2N2O3/c1-26-16-5-4-13(20(25)24-19-14(21)9-23-10-15(19)22)8-18(16)27-17-7-11-2-3-12(17)6-11/h4-5,8-12,17H,2-3,6-7H2,1H3,(H,23,24,25)
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n/an/a 1n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041849
PNG
(3-(Bicyclo[2.2.1]hept-2-yloxy)-N-(3,5-dichloro-pyr...)
Show SMILES COc1ccc(cc1OC1CC2CCC1C2)C(=O)Nc1c(Cl)cncc1Cl |TLB:8:9:15:13.12|
Show InChI InChI=1S/C20H20Cl2N2O3/c1-26-16-5-4-13(20(25)24-19-14(21)9-23-10-15(19)22)8-18(16)27-17-7-11-2-3-12(17)6-11/h4-5,8-12,17H,2-3,6-7H2,1H3,(H,23,24,25)
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n/an/a 1n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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n/an/a 1n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041853
PNG
(3-Cyclopentyloxy-N-(3,5-dichloro-1-oxy-pyridin-4-y...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
Show InChI InChI=1S/C18H18Cl2N2O4/c1-25-15-7-6-11(8-16(15)26-12-4-2-3-5-12)18(23)21-17-13(19)9-22(24)10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,23)
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n/an/a 2n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132450
PNG
(3-[1-(5-Methoxy-1-methyl-1H-indol-3-yl)-meth-(Z)-y...)
Show SMILES COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C19H17N3O4S/c1-22-10-11(14-8-12(26-2)3-6-18(14)22)7-16-15-9-13(27(20,24)25)4-5-17(15)21-19(16)23/h3-10H,1-2H3,(H,21,23)(H2,20,24,25)/b16-7-
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n/an/a 5n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041831
PNG
(3-Cyclopentyloxy-N-(3,5-dibromo-pyridin-4-yl)-4-me...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Br)cncc1Br
Show InChI InChI=1S/C18H18Br2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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n/an/a 7n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041846
PNG
(3-Butoxy-N-(3,5-dichloro-pyridin-4-yl)-4-methoxy-b...)
Show SMILES CCCCOc1cc(ccc1OC)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H18Cl2N2O3/c1-3-4-7-24-15-8-11(5-6-14(15)23-2)17(22)21-16-12(18)9-20-10-13(16)19/h5-6,8-10H,3-4,7H2,1-2H3,(H,20,21,22)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041886
PNG
(3-(Bicyclo[2.2.1]hept-2-yloxy)-N-(2,6-dichloro-phe...)
Show SMILES COc1ccc(cc1OC1CC2CCC1C2)C(=O)Nc1c(Cl)cccc1Cl |TLB:8:9:15:13.12|
Show InChI InChI=1S/C21H21Cl2NO3/c1-26-17-8-7-14(21(25)24-20-15(22)3-2-4-16(20)23)11-19(17)27-18-10-12-5-6-13(18)9-12/h2-4,7-8,11-13,18H,5-6,9-10H2,1H3,(H,24,25)
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n/an/a 10n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132447
PNG
(5-[5-Methoxy-3-(2-oxo-5-sulfamoyl-1,2-dihydro-indo...)
Show SMILES COc1ccc2n(CCCCC(O)=O)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H23N3O6S/c1-32-15-5-8-21-17(11-15)14(13-26(21)9-3-2-4-22(27)28)10-19-18-12-16(33(24,30)31)6-7-20(18)25-23(19)29/h5-8,10-13H,2-4,9H2,1H3,(H,25,29)(H,27,28)(H2,24,30,31)/b19-10-
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n/an/a 11n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132443
PNG
(4-{5-Methoxy-3-[2-oxo-5-sulfamoyl-1,2-dihydro-indo...)
Show SMILES COc1ccc2n(CCCC(N)=O)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H22N4O5S/c1-31-14-4-7-20-16(10-14)13(12-26(20)8-2-3-21(23)27)9-18-17-11-15(32(24,29)30)5-6-19(17)25-22(18)28/h4-7,9-12H,2-3,8H2,1H3,(H2,23,27)(H,25,28)(H2,24,29,30)/b18-9-
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n/an/a 12n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132436
PNG
(3-((1-methyl-1H-indol-3-yl)methylene)-2-oxoindolin...)
Show SMILES Cn1cc(\C=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C18H15N3O3S/c1-21-10-11(13-4-2-3-5-17(13)21)8-15-14-9-12(25(19,23)24)6-7-16(14)20-18(15)22/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-8-
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n/an/a 14n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132434
PNG
(4-{5-Methoxy-3-[2-oxo-5-sulfamoyl-1,2-dihydro-indo...)
Show SMILES COc1ccc2n(CCCC(O)=O)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H21N3O6S/c1-31-14-4-7-20-16(10-14)13(12-25(20)8-2-3-21(26)27)9-18-17-11-15(32(23,29)30)5-6-19(17)24-22(18)28/h4-7,9-12H,2-3,8H2,1H3,(H,24,28)(H,26,27)(H2,23,29,30)/b18-9-
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n/an/a 14n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041847
PNG
(CHEMBL295976 | N-(3-Chloro-pyridin-4-yl)-3-cyclope...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1ccncc1Cl
Show InChI InChI=1S/C18H19ClN2O3/c1-23-16-7-6-12(10-17(16)24-13-4-2-3-5-13)18(22)21-15-8-9-20-11-14(15)19/h6-11,13H,2-5H2,1H3,(H,20,21,22)
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n/an/a 16n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132433
PNG
(3-[1-(5-Methoxy-1-methyl-1H-indol-3-yl)-meth-(Z)-y...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cn(C)c4ccc(OC)cc34)c2c1
Show InChI InChI=1S/C20H19N3O4S/c1-21-28(25,26)14-5-6-18-16(10-14)17(20(24)22-18)8-12-11-23(2)19-7-4-13(27-3)9-15(12)19/h4-11,21H,1-3H3,(H,22,24)/b17-8-
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n/an/a 20n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041875
PNG
(3-Cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-pyri...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)c(F)nc(F)c1Cl
Show InChI InChI=1S/C18H16Cl2F2N2O3/c1-26-11-7-6-9(8-12(11)27-10-4-2-3-5-10)18(25)23-15-13(19)16(21)24-17(22)14(15)20/h6-8,10H,2-5H2,1H3,(H,23,24,25)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041838
PNG
(3-(cyclopentyloxy)-N-(2,6-dichlorophenyl)-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H19Cl2NO3/c1-24-16-10-9-12(11-17(16)25-13-5-2-3-6-13)19(23)22-18-14(20)7-4-8-15(18)21/h4,7-11,13H,2-3,5-6H2,1H3,(H,22,23)
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n/an/a 23n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132421
PNG
(3-[1-(1H-Pyrrol-2-yl)-meth-(Z)-ylidene]-5-(thiophe...)
Show SMILES O=C(c1cccs1)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C18H12N2O2S/c21-17(16-4-2-8-23-16)11-5-6-15-13(9-11)14(18(22)20-15)10-12-3-1-7-19-12/h1-10,19H,(H,20,22)/b14-10-
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n/an/a 26n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132457
PNG
(3-{5-Methoxy-3-[2-oxo-5-sulfamoyl-1,2-dihydro-indo...)
Show SMILES COc1ccc2n(Cc3cccc(c3)C(O)=O)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C26H21N3O6S/c1-35-18-5-8-24-20(11-18)17(14-29(24)13-15-3-2-4-16(9-15)26(31)32)10-22-21-12-19(36(27,33)34)6-7-23(21)28-25(22)30/h2-12,14H,13H2,1H3,(H,28,30)(H,31,32)(H2,27,33,34)/b22-10-
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n/an/a 27n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132420
PNG
(3-((1H-pyrrol-2-yl)methylene)-5-(pyridin-3-yl)indo...)
Show SMILES O=C1Nc2ccc(cc2\C1=C\c1ccc[nH]1)-c1cccnc1
Show InChI InChI=1S/C18H13N3O/c22-18-16(10-14-4-2-8-20-14)15-9-12(5-6-17(15)21-18)13-3-1-7-19-11-13/h1-11,20H,(H,21,22)/b16-10-
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n/an/a 27n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132445
PNG
(3-[1-(5-Methoxy-1H-indol-3-yl)-meth-(Z)-ylidene]-2...)
Show SMILES COc1ccc2[nH]cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C18H15N3O4S/c1-25-11-2-4-16-13(7-11)10(9-20-16)6-15-14-8-12(26(19,23)24)3-5-17(14)21-18(15)22/h2-9,20H,1H3,(H,21,22)(H2,19,23,24)/b15-6-
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n/an/a 28n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132427
PNG
(5-Pyridin-3-yl-3-[1-(1H-pyrrol-2-yl)-meth-(Z)-ylid...)
Show SMILES O=C1Nc2cnc(cc2\C1=C\c1ccc[nH]1)-c1cccnc1
Show InChI InChI=1S/C17H12N4O/c22-17-14(7-12-4-2-6-19-12)13-8-15(20-10-16(13)21-17)11-3-1-5-18-9-11/h1-10,19H,(H,21,22)/b14-7-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132437
PNG
(3-((1-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl)me...)
Show SMILES COc1ccc2n(CCCO)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C21H21N3O5S/c1-29-14-3-6-20-16(10-14)13(12-24(20)7-2-8-25)9-18-17-11-15(30(22,27)28)4-5-19(17)23-21(18)26/h3-6,9-12,25H,2,7-8H2,1H3,(H,23,26)(H2,22,27,28)/b18-9-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041869
PNG
(3-Cyclopentyloxy-N-(3,5-dimethyl-pyridin-4-yl)-4-m...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(C)cncc1C
Show InChI InChI=1S/C20H24N2O3/c1-13-11-21-12-14(2)19(13)22-20(23)15-8-9-17(24-3)18(10-15)25-16-6-4-5-7-16/h8-12,16H,4-7H2,1-3H3,(H,21,22,23)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041824
PNG
(3-Cyclohexyloxy-N-(3,5-dichloro-pyridin-4-yl)-4-me...)
Show SMILES COc1ccc(cc1OC1CCCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C19H20Cl2N2O3/c1-25-16-8-7-12(9-17(16)26-13-5-3-2-4-6-13)19(24)23-18-14(20)10-22-11-15(18)21/h7-11,13H,2-6H2,1H3,(H,22,23,24)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132441
PNG
(3-(3-((5-methoxy-1-methyl-1H-indol-3-yl)methylene)...)
Show SMILES COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)S(=O)(=O)NCCC(N)=O)c2c1
Show InChI InChI=1S/C22H22N4O5S/c1-26-12-13(16-10-14(31-2)3-6-20(16)26)9-18-17-11-15(4-5-19(17)25-22(18)28)32(29,30)24-8-7-21(23)27/h3-6,9-12,24H,7-8H2,1-2H3,(H2,23,27)(H,25,28)/b18-9-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041844
PNG
(3-(cyclopentyloxy)-N-(2,6-difluorophenyl)-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C19H19F2NO3/c1-24-16-10-9-12(11-17(16)25-13-5-2-3-6-13)19(23)22-18-14(20)7-4-8-15(18)21/h4,7-11,13H,2-3,5-6H2,1H3,(H,22,23)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041879
PNG
(3-Butoxy-N-(3,5-dibromo-pyridin-4-yl)-4-methoxy-be...)
Show SMILES CCCCOc1cc(ccc1OC)C(=O)Nc1c(Br)cncc1Br
Show InChI InChI=1S/C17H18Br2N2O3/c1-3-4-7-24-15-8-11(5-6-14(15)23-2)17(22)21-16-12(18)9-20-10-13(16)19/h5-6,8-10H,3-4,7H2,1-2H3,(H,20,21,22)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041877
PNG
(3-Cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-pyri...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(F)cnc(F)c1F
Show InChI InChI=1S/C18H17F3N2O3/c1-25-13-7-6-10(8-14(13)26-11-4-2-3-5-11)18(24)23-16-12(19)9-22-17(21)15(16)20/h6-9,11H,2-5H2,1H3,(H,22,23,24)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132448
PNG
(2-[3-(5-Methoxy-1-methyl-1H-indol-3-ylmethylene)-2...)
Show SMILES COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)S(=O)(=O)NCC(N)=O)c2c1
Show InChI InChI=1S/C21H20N4O5S/c1-25-11-12(15-8-13(30-2)3-6-19(15)25)7-17-16-9-14(4-5-18(16)24-21(17)27)31(28,29)23-10-20(22)26/h3-9,11,23H,10H2,1-2H3,(H2,22,26)(H,24,27)/b17-7-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041873
PNG
(CHEMBL47286 | N-(3-Chloro-2,5,6-trifluoro-pyridin-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(F)c(F)nc(F)c1Cl
Show InChI InChI=1S/C18H16ClF3N2O3/c1-26-11-7-6-9(8-12(11)27-10-4-2-3-5-10)18(25)23-15-13(19)16(21)24-17(22)14(15)20/h6-8,10H,2-5H2,1H3,(H,23,24,25)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041866
PNG
(CHEMBL48017 | N-(3,5-Dichloro-pyridin-4-yl)-3,4-di...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C14H12Cl2N2O3/c1-20-11-4-3-8(5-12(11)21-2)14(19)18-13-9(15)6-17-7-10(13)16/h3-7H,1-2H3,(H,17,18,19)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041826
PNG
(3-Cyclopentyloxy-N-(2,6-dimethyl-phenyl)-4-methoxy...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C21H25NO3/c1-14-7-6-8-15(2)20(14)22-21(23)16-11-12-18(24-3)19(13-16)25-17-9-4-5-10-17/h6-8,11-13,17H,4-5,9-10H2,1-3H3,(H,22,23)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132456
PNG
(3-[1-(5-Methoxy-1-methyl-1H-indol-3-yl)-meth-(Z)-y...)
Show SMILES CCNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cn(C)c4ccc(OC)cc34)c2c1
Show InChI InChI=1S/C21H21N3O4S/c1-4-22-29(26,27)15-6-7-19-17(11-15)18(21(25)23-19)9-13-12-24(2)20-8-5-14(28-3)10-16(13)20/h5-12,22H,4H2,1-3H3,(H,23,25)/b18-9-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041854
PNG
(CHEMBL294949 | N-(2-Chloro-6-methyl-phenyl)-3-cycl...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(C)cccc1Cl
Show InChI InChI=1S/C20H22ClNO3/c1-13-6-5-9-16(21)19(13)22-20(23)14-10-11-17(24-2)18(12-14)25-15-7-3-4-8-15/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,22,23)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041856
PNG
(CHEMBL48048 | N-(4-Chloro-pyridin-3-yl)-3-cyclopen...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1cnccc1Cl
Show InChI InChI=1S/C18H19ClN2O3/c1-23-16-7-6-12(10-17(16)24-13-4-2-3-5-13)18(22)21-15-11-20-9-8-14(15)19/h6-11,13H,2-5H2,1H3,(H,21,22)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132453
PNG
(3-[1-(1H-Indol-3-yl)-meth-(Z)-ylidene]-2-oxo-2,3-d...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3c[nH]c4ccccc34)c2c1
Show InChI InChI=1S/C17H13N3O3S/c18-24(22,23)11-5-6-16-13(8-11)14(17(21)20-16)7-10-9-19-15-4-2-1-3-12(10)15/h1-9,19H,(H,20,21)(H2,18,22,23)/b14-7-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041845
PNG
(CHEMBL296700 | N-(2-Bromo-phenyl)-3-cyclopentyloxy...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Br
Show InChI InChI=1S/C19H20BrNO3/c1-23-17-11-10-13(12-18(17)24-14-6-2-3-7-14)19(22)21-16-9-5-4-8-15(16)20/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,21,22)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132449
PNG
(3-((1-(4-morpholino-4-oxobutyl)-1H-indol-3-yl)meth...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cn(CCCC(=O)N4CCOCC4)c4ccccc34)c2c1
Show InChI InChI=1S/C25H26N4O5S/c26-35(32,33)18-7-8-22-20(15-18)21(25(31)27-22)14-17-16-29(23-5-2-1-4-19(17)23)9-3-6-24(30)28-10-12-34-13-11-28/h1-2,4-5,7-8,14-16H,3,6,9-13H2,(H,27,31)(H2,26,32,33)/b21-14-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132451
PNG
(3-((5-methoxy-1-methyl-1H-indol-3-yl)methylene)-N-...)
Show SMILES CNC(=O)c1ccc2NC(=O)\C(=C/c3cn(C)c4ccc(OC)cc34)c2c1
Show InChI InChI=1S/C21H19N3O3/c1-22-20(25)12-4-6-18-16(8-12)17(21(26)23-18)9-13-11-24(2)19-7-5-14(27-3)10-15(13)19/h4-11H,1-3H3,(H,22,25)(H,23,26)/b17-9-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132422
PNG
(5-(Pyridine-3-carbonyl)-3-[1-(1H-pyrrol-2-yl)-meth...)
Show SMILES O=C(c1cccnc1)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C19H13N3O2/c23-18(13-3-1-7-20-11-13)12-5-6-17-15(9-12)16(19(24)22-17)10-14-4-2-8-21-14/h1-11,21H,(H,22,24)/b16-10-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041828
PNG
(CHEMBL289190 | N-(2-Chloro-phenyl)-3-cyclopentylox...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H20ClNO3/c1-23-17-11-10-13(12-18(17)24-14-6-2-3-7-14)19(22)21-16-9-5-4-8-15(16)20/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,21,22)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132428
PNG
(5-(Hydroxy-thiophen-2-yl-methyl)-3-[1-(1H-pyrrol-2...)
Show SMILES OC(c1cccs1)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C18H14N2O2S/c21-17(16-4-2-8-23-16)11-5-6-15-13(9-11)14(18(22)20-15)10-12-3-1-7-19-12/h1-10,17,19,21H,(H,20,22)/b14-10-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041864
PNG
(CHEMBL47288 | N-(5-Cyano-3-methyl-isothiazol-4-yl)...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(C)nsc1C#N
Show InChI InChI=1S/C18H19N3O3S/c1-11-17(16(10-19)25-21-11)20-18(22)12-7-8-14(23-2)15(9-12)24-13-5-3-4-6-13/h7-9,13H,3-6H2,1-2H3,(H,20,22)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041883
PNG
(CHEMBL45359 | N-(2-Chloro-phenyl)-3-cyclopentyloxy...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=S)Nc1ccccc1Cl
Show InChI InChI=1S/C19H20ClNO2S/c1-22-17-11-10-13(12-18(17)23-14-6-2-3-7-14)19(24)21-16-9-5-4-8-15(16)20/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,21,24)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132417
PNG
(3-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-5-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)c2cccs2)cc1
Show InChI InChI=1S/C22H18N2O2S/c1-24(2)16-8-5-14(6-9-16)12-18-17-13-15(7-10-19(17)23-22(18)26)21(25)20-4-3-11-27-20/h3-13H,1-2H3,(H,23,26)/b18-12-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132452
PNG
(4-{5-Methoxy-3-[2-oxo-5-sulfamoyl-1,2-dihydro-indo...)
Show SMILES CCOC(=O)CCCn1cc(\C=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)c2cc(OC)ccc12
Show InChI InChI=1S/C24H25N3O6S/c1-3-33-23(28)5-4-10-27-14-15(18-12-16(32-2)6-9-22(18)27)11-20-19-13-17(34(25,30)31)7-8-21(19)26-24(20)29/h6-9,11-14H,3-5,10H2,1-2H3,(H,26,29)(H2,25,30,31)/b20-11-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132423
PNG
(2-Oxo-3-[1-(1H-pyrrol-2-yl)-meth-(Z)-ylidene]-2,3-...)
Show SMILES CN(C)C(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C16H15N3O2/c1-19(2)16(21)10-5-6-14-12(8-10)13(15(20)18-14)9-11-4-3-7-17-11/h3-9,17H,1-2H3,(H,18,20)/b13-9-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM17032
PNG
((3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihyd...)
Show SMILES OC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C14H10N2O3/c17-13-11(7-9-2-1-5-15-9)10-6-8(14(18)19)3-4-12(10)16-13/h1-7,15H,(H,16,17)(H,18,19)/b11-7-
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n/an/a 213n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132419
PNG
(5-Pyridin-3-yl-3-[1-(1H-pyrrol-2-yl)-meth-(Z)-ylid...)
Show SMILES O=C1Nc2ccc(nc2\C1=C\c1ccc[nH]1)-c1cccnc1
Show InChI InChI=1S/C17H12N4O/c22-17-13(9-12-4-2-8-19-12)16-15(21-17)6-5-14(20-16)11-3-1-7-18-10-11/h1-10,19H,(H,21,22)/b13-9-
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n/an/a 235n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041855
PNG
(CHEMBL45128 | N-(2-Chloro-6-fluoro-phenyl)-3-cyclo...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(F)cccc1Cl
Show InChI InChI=1S/C19H19ClFNO3/c1-24-16-10-9-12(11-17(16)25-13-5-2-3-6-13)19(23)22-18-14(20)7-4-8-15(18)21/h4,7-11,13H,2-3,5-6H2,1H3,(H,22,23)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
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