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Compile Data Set for Download or QSAR

Found 160 hits with Last Name = 'skoumbourdis' and Initial = 'ap'   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30026
PNG
(triazolopyridazine, 18)
Show SMILES COc1ccc(OC)c(c1)-c1nnc2ccc(nn12)-c1ccc(OC)c(O[C@@H]2CCOC2)c1 |r|
Show InChI InChI=1S/C24H24N4O5/c1-29-16-5-8-20(30-2)18(13-16)24-26-25-23-9-6-19(27-28(23)24)15-4-7-21(31-3)22(12-15)33-17-10-11-32-14-17/h4-9,12-13,17H,10-11,14H2,1-3H3/t17-/m1/s1
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n/an/a 1.5n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30024
PNG
(triazolothiadiazine, 10)
Show SMILES COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(O[C@@H]2CCOC2)c1 |r,c:17|
Show InChI InChI=1S/C23H24N4O5S/c1-28-15-5-7-19(29-2)17(11-15)22-24-25-23-27(22)26-18(13-33-23)14-4-6-20(30-3)21(10-14)32-16-8-9-31-12-16/h4-7,10-11,16H,8-9,12-13H2,1-3H3/t16-/m1/s1
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n/an/a 3n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30023
PNG
(Racemic | cid_44142103 | triazolothiadiazine, 9)
Show SMILES COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC2CCOC2)c1 |c:17|
Show InChI InChI=1S/C23H24N4O5S/c1-28-15-5-7-19(29-2)17(11-15)22-24-25-23-27(22)26-18(13-33-23)14-4-6-20(30-3)21(10-14)32-16-8-9-31-12-16/h4-7,10-11,16H,8-9,12-13H2,1-3H3
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n/an/a 3.40n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30038
PNG
(triazolothiadiazine, 32)
Show SMILES COc1ccc(cc1O[C@@H]1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1Cl |r,t:16|
Show InChI InChI=1S/C21H19ClN4O3S/c1-27-18-7-6-13(10-19(18)29-14-8-9-28-11-14)17-12-30-21-24-23-20(26(21)25-17)15-4-2-3-5-16(15)22/h2-7,10,14H,8-9,11-12H2,1H3/t14-/m1/s1
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n/an/a 3.80n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30021
PNG
(triazolothiadiazine, 7)
Show SMILES COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OCC2CC2)c1 |c:17|
Show InChI InChI=1S/C23H24N4O4S/c1-28-16-7-9-19(29-2)17(11-16)22-24-25-23-27(22)26-18(13-32-23)15-6-8-20(30-3)21(10-15)31-12-14-4-5-14/h6-11,14H,4-5,12-13H2,1-3H3
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n/an/a 6.10n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30048
PNG
(triazolothiadiazine, 42)
Show SMILES COc1ccc(cc1O[C@@H]1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1C(F)(F)F |r,t:16|
Show InChI InChI=1S/C22H19F3N4O3S/c1-30-18-7-6-13(10-19(18)32-14-8-9-31-11-14)17-12-33-21-27-26-20(29(21)28-17)15-4-2-3-5-16(15)22(23,24)25/h2-7,10,14H,8-9,11-12H2,1H3/t14-/m1/s1
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n/an/a 6.70n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30019
PNG
(BMCL181297 Compound 5F | triazolothiadiazine, 5)
Show SMILES COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:17|
Show InChI InChI=1S/C20H20N4O4S/c1-25-13-6-8-16(26-2)14(10-13)19-21-22-20-24(19)23-15(11-29-20)12-5-7-17(27-3)18(9-12)28-4/h5-10H,11H2,1-4H3
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n/an/a 6.70n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30047
PNG
(triazolothiadiazine, 41)
Show SMILES COc1ccc(cc1OC1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1C(F)(F)F |t:16|
Show InChI InChI=1S/C22H19F3N4O3S/c1-30-18-7-6-13(10-19(18)32-14-8-9-31-11-14)17-12-33-21-27-26-20(29(21)28-17)15-4-2-3-5-16(15)22(23,24)25/h2-7,10,14H,8-9,11-12H2,1H3
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n/an/a 7.10n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30025
PNG
(triazolopyridazine, 17)
Show SMILES COc1ccc(OC)c(c1)-c1nnc2ccc(nn12)-c1ccc(OC)c(O[C@H]2CCOC2)c1 |r|
Show InChI InChI=1S/C24H24N4O5/c1-29-16-5-8-20(30-2)18(13-16)24-26-25-23-9-6-19(27-28(23)24)15-4-7-21(31-3)22(12-15)33-17-10-11-32-14-17/h4-9,12-13,17H,10-11,14H2,1-3H3/t17-/m0/s1
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n/an/a 7.30n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50425387
PNG
(CHEMBL2311806)
Show SMILES Cc1cn(cn1)-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Show InChI InChI=1S/C28H25N7O/c1-18-11-23(14-24(12-18)35-16-20(3)31-17-35)32-27(36)21-7-6-19(2)26(13-21)34-28-30-10-8-25(33-28)22-5-4-9-29-15-22/h4-17H,1-3H3,(H,32,36)(H,30,33,34)
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n/an/a 8.20n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PDGFRalpha using poly[Glu:Tyr] (4:1) peptide substrate


Bioorg Med Chem Lett 23: 682-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30043
PNG
(triazolothiadiazine, 37)
Show SMILES COc1ccc(cc1O[C@@H]1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1F |r,t:16|
Show InChI InChI=1S/C21H19FN4O3S/c1-27-18-7-6-13(10-19(18)29-14-8-9-28-11-14)17-12-30-21-24-23-20(26(21)25-17)15-4-2-3-5-16(15)22/h2-7,10,14H,8-9,11-12H2,1H3/t14-/m1/s1
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n/an/a 8.60n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30037
PNG
(triazolothiadiazine, 31)
Show SMILES COc1ccc(cc1OC1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1Cl |t:16|
Show InChI InChI=1S/C21H19ClN4O3S/c1-27-18-7-6-13(10-19(18)29-14-8-9-28-11-14)17-12-30-21-24-23-20(26(21)25-17)15-4-2-3-5-16(15)22/h2-7,10,14H,8-9,11-12H2,1H3
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n/an/a 9.80n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50425385
PNG
(CHEMBL2311807)
Show SMILES Cc1cn(cn1)-c1cc(F)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Show InChI InChI=1S/C27H22FN7O/c1-17-5-6-19(10-25(17)34-27-30-9-7-24(33-27)20-4-3-8-29-14-20)26(36)32-22-11-21(28)12-23(13-22)35-15-18(2)31-16-35/h3-16H,1-2H3,(H,32,36)(H,30,33,34)
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n/an/a 10n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) peptide substrate


Bioorg Med Chem Lett 23: 682-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30019
PNG
(BMCL181297 Compound 5F | triazolothiadiazine, 5)
Show SMILES COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:17|
Show InChI InChI=1S/C20H20N4O4S/c1-25-13-6-8-16(26-2)14(10-13)19-21-22-20-24(19)23-15(11-29-20)12-5-7-17(27-3)18(9-12)28-4/h5-10H,11H2,1-4H3
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n/an/a 10n/an/an/an/a7.222



NIH



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 18: 1297-303 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.028
BindingDB Entry DOI: 10.7270/Q2RB72ZX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30022
PNG
(triazolothiadiazine, 8)
Show SMILES COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC(F)F)c(OCC2CC2)c1 |c:17|
Show InChI InChI=1S/C23H22F2N4O4S/c1-30-15-6-8-18(31-2)16(10-15)21-26-27-23-29(21)28-17(12-34-23)14-5-7-19(33-22(24)25)20(9-14)32-11-13-3-4-13/h5-10,13,22H,3-4,11-12H2,1-2H3
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n/an/a 11n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30032
PNG
(triazolothiadiazine, 26)
Show SMILES COc1ccc(cc1O[C@@H]1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1OC |r,t:16|
Show InChI InChI=1S/C22H22N4O4S/c1-27-18-6-4-3-5-16(18)21-23-24-22-26(21)25-17(13-31-22)14-7-8-19(28-2)20(11-14)30-15-9-10-29-12-15/h3-8,11,15H,9-10,12-13H2,1-2H3/t15-/m1/s1
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n/an/a 11n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30042
PNG
(triazolothiadiazine, 36)
Show SMILES COc1ccc(cc1OC1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1F |t:16|
Show InChI InChI=1S/C21H19FN4O3S/c1-27-18-7-6-13(10-19(18)29-14-8-9-28-11-14)17-12-30-21-24-23-20(26(21)25-17)15-4-2-3-5-16(15)22/h2-7,10,14H,8-9,11-12H2,1H3
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n/an/a 11n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30020
PNG
(triazolothiadiazine, 6)
Show SMILES COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC2CCCC2)c1 |c:17|
Show InChI InChI=1S/C24H26N4O4S/c1-29-17-9-11-20(30-2)18(13-17)23-25-26-24-28(23)27-19(14-33-24)15-8-10-21(31-3)22(12-15)32-16-6-4-5-7-16/h8-13,16H,4-7,14H2,1-3H3
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n/an/a 13n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30044
PNG
(triazolothiadiazine, 38)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1C(F)(F)F |t:11|
Show InChI InChI=1S/C19H15F3N4O2S/c1-27-15-8-7-11(9-16(15)28-2)14-10-29-18-24-23-17(26(18)25-14)12-5-3-4-6-13(12)19(20,21)22/h3-9H,10H2,1-2H3
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n/an/a 13n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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n/an/a 15n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) peptide substrate


Bioorg Med Chem Lett 23: 682-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50425387
PNG
(CHEMBL2311806)
Show SMILES Cc1cn(cn1)-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Show InChI InChI=1S/C28H25N7O/c1-18-11-23(14-24(12-18)35-16-20(3)31-17-35)32-27(36)21-7-6-19(2)26(13-21)34-28-30-10-8-25(33-28)22-5-4-9-29-15-22/h4-17H,1-3H3,(H,32,36)(H,30,33,34)
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n/an/a 17n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DDR2 using KKSRGDYMTMQIG peptide substrate


Bioorg Med Chem Lett 23: 682-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30031
PNG
(triazolothiadiazine, 25)
Show SMILES COc1ccc(cc1OC1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:16|
Show InChI InChI=1S/C22H22N4O4S/c1-27-18-6-4-3-5-16(18)21-23-24-22-26(21)25-17(13-31-22)14-7-8-19(28-2)20(11-14)30-15-9-10-29-12-15/h3-8,11,15H,9-10,12-13H2,1-2H3
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n/an/a 20n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30035
PNG
(triazolothiadiazine, 29)
Show SMILES COc1ccc(cc1OCC1CC1)C1=Nn2c(SC1)nnc2-c1ccccc1Cl |t:15|
Show InChI InChI=1S/C21H19ClN4O2S/c1-27-18-9-8-14(10-19(18)28-11-13-6-7-13)17-12-29-21-24-23-20(26(21)25-17)15-4-2-3-5-16(15)22/h2-5,8-10,13H,6-7,11-12H2,1H3
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n/an/a 21n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30033
PNG
(triazolothiadiazine, 27)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1Cl |t:11|
Show InChI InChI=1S/C18H15ClN4O2S/c1-24-15-8-7-11(9-16(15)25-2)14-10-26-18-21-20-17(23(18)22-14)12-5-3-4-6-13(12)19/h3-9H,10H2,1-2H3
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n/an/a 22n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50425385
PNG
(CHEMBL2311807)
Show SMILES Cc1cn(cn1)-c1cc(F)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Show InChI InChI=1S/C27H22FN7O/c1-17-5-6-19(10-25(17)34-27-30-9-7-24(33-27)20-4-3-8-29-14-20)26(36)32-22-11-21(28)12-23(13-22)35-15-18(2)31-16-35/h3-16H,1-2H3,(H,32,36)(H,30,33,34)
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n/an/a 26n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PDGFRalpha using poly[Glu:Tyr] (4:1) peptide substrate


Bioorg Med Chem Lett 23: 682-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30034
PNG
(triazolothiadiazine, 28)
Show SMILES COc1ccc(cc1OC1CCCC1)C1=Nn2c(SC1)nnc2-c1ccccc1Cl |t:16|
Show InChI InChI=1S/C22H21ClN4O2S/c1-28-19-11-10-14(12-20(19)29-15-6-2-3-7-15)18-13-30-22-25-24-21(27(22)26-18)16-8-4-5-9-17(16)23/h4-5,8-12,15H,2-3,6-7,13H2,1H3
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n/an/a 26n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30028
PNG
(triazolothiadiazine, 22)
Show SMILES COc1ccc(cc1OC1CCCC1)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:16|
Show InChI InChI=1S/C23H24N4O3S/c1-28-19-10-6-5-9-17(19)22-24-25-23-27(22)26-18(14-31-23)15-11-12-20(29-2)21(13-15)30-16-7-3-4-8-16/h5-6,9-13,16H,3-4,7-8,14H2,1-2H3
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n/an/a 32n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30040
PNG
(cid_44142089 | triazolothiadiazine, 34)
Show SMILES COc1ccc(cc1OC1CCCC1)C1=Nn2c(SC1)nnc2-c1ccccc1F |t:16|
Show InChI InChI=1S/C22H21FN4O2S/c1-28-19-11-10-14(12-20(19)29-15-6-2-3-7-15)18-13-30-22-25-24-21(27(22)26-18)16-8-4-5-9-17(16)23/h4-5,8-12,15H,2-3,6-7,13H2,1H3
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n/an/a 33n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50425386
PNG
(CHEMBL2311808)
Show SMILES Cc1cn(cn1)-c1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Show InChI InChI=1S/C27H23N7O/c1-18-8-9-20(26(35)31-22-6-3-7-23(14-22)34-16-19(2)30-17-34)13-25(18)33-27-29-12-10-24(32-27)21-5-4-11-28-15-21/h3-17H,1-2H3,(H,31,35)(H,29,32,33)
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n/an/a 33n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) peptide substrate


Bioorg Med Chem Lett 23: 682-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30030
PNG
(triazolothiadiazine, 24)
Show SMILES COc1ccccc1-c1nnc2SCC(=Nn12)c1ccc(OC(F)F)c(OCC2CC2)c1 |c:15|
Show InChI InChI=1S/C22H20F2N4O3S/c1-29-17-5-3-2-4-15(17)20-25-26-22-28(20)27-16(12-32-22)14-8-9-18(31-21(23)24)19(10-14)30-11-13-6-7-13/h2-5,8-10,13,21H,6-7,11-12H2,1H3
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n/an/a 35n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30029
PNG
(triazolothiadiazine, 23)
Show SMILES COc1ccc(cc1OCC1CC1)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:15|
Show InChI InChI=1S/C22H22N4O3S/c1-27-18-6-4-3-5-16(18)21-23-24-22-26(21)25-17(13-30-22)15-9-10-19(28-2)20(11-15)29-12-14-7-8-14/h3-6,9-11,14H,7-8,12-13H2,1-2H3
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n/an/a 35n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30036
PNG
(cid_44142096 | triazolothiadiazine, 30)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C1=Nn2c(SC1)nnc2-c1ccccc1Cl |t:17|
Show InChI InChI=1S/C21H17ClF2N4O2S/c22-15-4-2-1-3-14(15)19-25-26-21-28(19)27-16(11-31-21)13-7-8-17(30-20(23)24)18(9-13)29-10-12-5-6-12/h1-4,7-9,12,20H,5-6,10-11H2
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n/an/a 37n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30027
PNG
(BMCL181297 Compound 5A | cid_662965 | triazolothia...)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:11|
Show InChI InChI=1S/C19H18N4O3S/c1-24-15-7-5-4-6-13(15)18-20-21-19-23(18)22-14(11-27-19)12-8-9-16(25-2)17(10-12)26-3/h4-10H,11H2,1-3H3
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n/an/a 40n/an/an/an/a7.222



NIH



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 18: 1297-303 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.028
BindingDB Entry DOI: 10.7270/Q2RB72ZX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30045
PNG
(triazolothiadiazine, 39)
Show SMILES COc1ccc(cc1OC1CCCC1)C1=Nn2c(SC1)nnc2-c1ccccc1C(F)(F)F |t:16|
Show InChI InChI=1S/C23H21F3N4O2S/c1-31-19-11-10-14(12-20(19)32-15-6-2-3-7-15)18-13-33-22-28-27-21(30(22)29-18)16-8-4-5-9-17(16)23(24,25)26/h4-5,8-12,15H,2-3,6-7,13H2,1H3
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n/an/a 45n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30027
PNG
(BMCL181297 Compound 5A | cid_662965 | triazolothia...)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:11|
Show InChI InChI=1S/C19H18N4O3S/c1-24-15-7-5-4-6-13(15)18-20-21-19-23(18)22-14(11-27-19)12-8-9-16(25-2)17(10-12)26-3/h4-10H,11H2,1-3H3
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n/an/a 46n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30058
PNG
(triazolothiadiazine, 5J)
Show SMILES CCOc1ccccc1-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:16|
Show InChI InChI=1S/C20H20N4O3S/c1-4-27-16-8-6-5-7-14(16)19-21-22-20-24(19)23-15(12-28-20)13-9-10-17(25-2)18(11-13)26-3/h5-11H,4,12H2,1-3H3
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n/an/a 50n/an/an/an/a7.222



NIH



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 18: 1297-303 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.028
BindingDB Entry DOI: 10.7270/Q2RB72ZX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30056
PNG
(triazolothiadiazine, 5H)
Show SMILES COc1cc(OC)cc(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:17|
Show InChI InChI=1S/C20H20N4O4S/c1-25-14-7-13(8-15(10-14)26-2)19-21-22-20-24(19)23-16(11-29-20)12-5-6-17(27-3)18(9-12)28-4/h5-10H,11H2,1-4H3
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n/an/a 50n/an/an/an/a7.222



NIH



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 18: 1297-303 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.028
BindingDB Entry DOI: 10.7270/Q2RB72ZX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30041
PNG
(triazolothiadiazine, 35)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C1=Nn2c(SC1)nnc2-c1ccccc1F |t:17|
Show InChI InChI=1S/C21H17F3N4O2S/c22-15-4-2-1-3-14(15)19-25-26-21-28(19)27-16(11-31-21)13-7-8-17(30-20(23)24)18(9-13)29-10-12-5-6-12/h1-4,7-9,12,20H,5-6,10-11H2
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n/an/a 53n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50425387
PNG
(CHEMBL2311806)
Show SMILES Cc1cn(cn1)-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Show InChI InChI=1S/C28H25N7O/c1-18-11-23(14-24(12-18)35-16-20(3)31-17-35)32-27(36)21-7-6-19(2)26(13-21)34-28-30-10-8-25(33-28)22-5-4-9-29-15-22/h4-17H,1-3H3,(H,32,36)(H,30,33,34)
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n/an/a 55n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) peptide substrate


Bioorg Med Chem Lett 23: 682-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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n/an/a 60n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PDGFRbeta using poly[Glu:Tyr] (4:1) peptide substrate


Bioorg Med Chem Lett 23: 682-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30053
PNG
(triazolothiadiazine, 5E)
Show SMILES COc1ccc(-c2nnc3SCC(=Nn23)c2ccc(OC)c(OC)c2)c(OC)c1 |c:12|
Show InChI InChI=1S/C20H20N4O4S/c1-25-13-6-7-14(17(10-13)27-3)19-21-22-20-24(19)23-15(11-29-20)12-5-8-16(26-2)18(9-12)28-4/h5-10H,11H2,1-4H3
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n/an/a 79n/an/an/an/a7.222



NIH



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 18: 1297-303 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.028
BindingDB Entry DOI: 10.7270/Q2RB72ZX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30046
PNG
(triazolothiadiazine, 40)
Show SMILES COc1ccc(cc1OCC1CC1)C1=Nn2c(SC1)nnc2-c1ccccc1C(F)(F)F |t:15|
Show InChI InChI=1S/C22H19F3N4O2S/c1-30-18-9-8-14(10-19(18)31-11-13-6-7-13)17-12-32-21-27-26-20(29(21)28-17)15-4-2-3-5-16(15)22(23,24)25/h2-5,8-10,13H,6-7,11-12H2,1H3
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n/an/a 80n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50425386
PNG
(CHEMBL2311808)
Show SMILES Cc1cn(cn1)-c1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Show InChI InChI=1S/C27H23N7O/c1-18-8-9-20(26(35)31-22-6-3-7-23(14-22)34-16-19(2)30-17-34)13-25(18)33-27-29-12-10-24(32-27)21-5-4-11-28-15-21/h3-17H,1-2H3,(H,31,35)(H,29,32,33)
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n/an/a 84n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PDGFRalpha using poly[Glu:Tyr] (4:1) peptide substrate


Bioorg Med Chem Lett 23: 682-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30051
PNG
(triazolothiadiazine, 5C)
Show SMILES COc1ccc(cc1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:15|
Show InChI InChI=1S/C19H18N4O3S/c1-24-14-7-4-12(5-8-14)18-20-21-19-23(18)22-15(11-27-19)13-6-9-16(25-2)17(10-13)26-3/h4-10H,11H2,1-3H3
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n/an/a 88.9n/an/an/an/a7.222



NIH



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 18: 1297-303 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.028
BindingDB Entry DOI: 10.7270/Q2RB72ZX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30039
PNG
(triazolothiadiazine, 33)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1F |t:11|
Show InChI InChI=1S/C18H15FN4O2S/c1-24-15-8-7-11(9-16(15)25-2)14-10-26-18-21-20-17(23(18)22-14)12-5-3-4-6-13(12)19/h3-9H,10H2,1-2H3
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n/an/a 95n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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n/an/a 108n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human LCK using poly[Glu:Tyr] (4:1) peptide substrate


Bioorg Med Chem Lett 23: 682-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30052
PNG
(triazolothiadiazine, 5D)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1cccc(OC)c1OC |t:11|
Show InChI InChI=1S/C20H20N4O4S/c1-25-15-9-8-12(10-17(15)27-3)14-11-29-20-22-21-19(24(20)23-14)13-6-5-7-16(26-2)18(13)28-4/h5-10H,11H2,1-4H3
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n/an/a 112n/an/an/an/a7.222



NIH



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 18: 1297-303 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.028
BindingDB Entry DOI: 10.7270/Q2RB72ZX
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50425385
PNG
(CHEMBL2311807)
Show SMILES Cc1cn(cn1)-c1cc(F)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Show InChI InChI=1S/C27H22FN7O/c1-17-5-6-19(10-25(17)34-27-30-9-7-24(33-27)20-4-3-8-29-14-20)26(36)32-22-11-21(28)12-23(13-22)35-15-18(2)31-16-35/h3-16H,1-2H3,(H,32,36)(H,30,33,34)
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n/an/a 118n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using EAIYAAPFAKKK peptide substrate


Bioorg Med Chem Lett 23: 682-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30050
PNG
(triazolothiadiazine, 5B)
Show SMILES COc1cccc(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:15|
Show InChI InChI=1S/C19H18N4O3S/c1-24-14-6-4-5-13(9-14)18-20-21-19-23(18)22-15(11-27-19)12-7-8-16(25-2)17(10-12)26-3/h4-10H,11H2,1-3H3
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n/an/a 126n/an/an/an/a7.222



NIH



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 18: 1297-303 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.028
BindingDB Entry DOI: 10.7270/Q2RB72ZX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50425387
PNG
(CHEMBL2311806)
Show SMILES Cc1cn(cn1)-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Show InChI InChI=1S/C28H25N7O/c1-18-11-23(14-24(12-18)35-16-20(3)31-17-35)32-27(36)21-7-6-19(2)26(13-21)34-28-30-10-8-25(33-28)22-5-4-9-29-15-22/h4-17H,1-3H3,(H,32,36)(H,30,33,34)
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n/an/a 136n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human ABL1 using EAIYAAPFAKKK peptide substrate


Bioorg Med Chem Lett 23: 682-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5
More data for this
Ligand-Target Pair
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