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Compile Data Set for Download or QSAR

Found 180 hits with Last Name = 'luu' and Initial = 'c'   
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
Translocator protein


(Homo sapiens (Human))
BDBM98172
PNG
(US8492379, 28)
Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN4O/c1-5-24(6-2)18(26)12-17-19(15-7-9-16(21)10-8-15)22-20-13(3)11-14(4)23-25(17)20/h7-11H,5-6,12H2,1-4H3
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0.450n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J40
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98171
PNG
(US8492379, 27)
Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(C)cc1
Show InChI InChI=1S/C21H26N4O/c1-6-24(7-2)19(26)13-18-20(17-10-8-14(3)9-11-17)22-21-15(4)12-16(5)23-25(18)21/h8-12H,6-7,13H2,1-5H3
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0.460n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J40
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98173
PNG
(US8492379, 29)
Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(Br)cc1
Show InChI InChI=1S/C20H23BrN4O/c1-5-24(6-2)18(26)12-17-19(15-7-9-16(21)10-8-15)22-20-13(3)11-14(4)23-25(17)20/h7-11H,5-6,12H2,1-4H3
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0.970n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J40
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98176
PNG
(US8492379, 53)
Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)24-22-15(3)13-16(4)25-27(19)22/h7-10,13H,5-6,11-12,14H2,1-4H3
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1.55n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J40
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98174
PNG
(US8492379, 30)
Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H23FN4O/c1-5-24(6-2)18(26)12-17-19(15-7-9-16(21)10-8-15)22-20-13(3)11-14(4)23-25(17)20/h7-11H,5-6,12H2,1-4H3
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2.40n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J40
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98170
PNG
(US8492379, 26)
Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)22-21-14(3)12-15(4)23-25(18)21/h8-12H,6-7,13H2,1-5H3
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2.61n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J40
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98177
PNG
(US8492379, 54)
Show SMILES CCN(CC)C(=O)C(Oc1cccnc1-n1cccc1)c1ccc(OC)cc1
Show InChI InChI=1/C22H25N3O3/c1-4-24(5-2)22(26)20(17-10-12-18(27-3)13-11-17)28-19-9-8-14-23-21(19)25-15-6-7-16-25/h6-16,20H,4-5H2,1-3H3
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4n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J40
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98178
PNG
(US8492379, 55)
Show SMILES CCN(CC)C(=O)C(Oc1ccccc1-n1cccc1)c1ccc(OC)cc1
Show InChI InChI=1/C23H26N2O3/c1-4-24(5-2)23(26)22(18-12-14-19(27-3)15-13-18)28-21-11-7-6-10-20(21)25-16-8-9-17-25/h6-17,22H,4-5H2,1-3H3
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5n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J40
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98179
PNG
(US8492379, 56)
Show SMILES CCN(CC)C(=O)C(Oc1ccc(Cl)cc1-n1cccc1)c1ccc(OC)cc1
Show InChI InChI=1/C23H25ClN2O3/c1-4-25(5-2)23(27)22(17-8-11-19(28-3)12-9-17)29-21-13-10-18(24)16-20(21)26-14-6-7-15-26/h6-16,22H,4-5H2,1-3H3
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5.70n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J40
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98175
PNG
(US8492379, 52)
Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(O)cc1
Show InChI InChI=1S/C20H24N4O2/c1-5-23(6-2)18(26)12-17-19(15-7-9-16(25)10-8-15)21-20-13(3)11-14(4)22-24(17)20/h7-11,25H,5-6,12H2,1-4H3
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11.0n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J40
More data for this
Ligand-Target Pair
Phosphodiesterase Type 4 (PDE4D)


(Homo sapiens (Human))
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 0.0210n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (Human))
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 0.0410n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4817
PNG
(N-[2-(dimethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo...)
Show SMILES CN(C)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C20H23FN4O2/c1-11-17(23-12(2)18(11)20(27)22-7-8-25(3)4)10-15-14-9-13(21)5-6-16(14)24-19(15)26/h5-6,9-10,23H,7-8H2,1-4H3,(H,22,27)(H,24,26)/b15-10-
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n/an/a 0.5n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Phosphodiesterase Type 4 (PDE4D)


(Homo sapiens (Human))
BDBM14774
PNG
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
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n/an/a 0.680n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (Human))
BDBM14774
PNG
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
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n/an/a 0.840n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4821
PNG
(5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCc1ccncc1
Show InChI InChI=1S/C22H19FN4O2/c1-12-19(10-17-16-9-15(23)3-4-18(16)27-21(17)28)26-13(2)20(12)22(29)25-11-14-5-7-24-8-6-14/h3-10,26H,11H2,1-2H3,(H,25,29)(H,27,28)/b17-10-
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n/an/a 1n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Phosphodiesterase Type 5 (PDE5A)


(Homo sapiens (Human))
BDBM14776
PNG
(2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...)
Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
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n/an/a 1n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4818
PNG
(5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN1CCCC1
Show InChI InChI=1S/C22H25FN4O2/c1-13-19(12-17-16-11-15(23)5-6-18(16)26-21(17)28)25-14(2)20(13)22(29)24-7-10-27-8-3-4-9-27/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 1n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Phosphodiesterase Type 5 (PDE5A)


(Homo sapiens (Human))
BDBM14777
PNG
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)
Show SMILES CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/s2
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n/an/a 1.20n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 2n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4820
PNG
(5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C22H25FN4O3/c1-13-19(12-17-16-11-15(23)3-4-18(16)26-21(17)28)25-14(2)20(13)22(29)24-5-6-27-7-9-30-10-8-27/h3-4,11-12,25H,5-10H2,1-2H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 2n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Phosphodiesterase Type 5 (PDE5A)


(Homo sapiens (Human))
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 2.20n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4815
PNG
(5-{[(3Z)-5-chloro-2-oxo-2,3-dihydro-1H-indol-3-yli...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(Cl)cc23)c1C
Show InChI InChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 3n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4819
PNG
(5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yli...)
Show SMILES CN1CCC(CNC(=O)c2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
Show InChI InChI=1S/C23H27FN4O2/c1-13-20(11-18-17-10-16(24)4-5-19(17)27-22(18)29)26-14(2)21(13)23(30)25-12-15-6-8-28(3)9-7-15/h4-5,10-11,15,26H,6-9,12H2,1-3H3,(H,25,30)(H,27,29)/b18-11-
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n/an/a 3n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4816
PNG
(5-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylid...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(Br)cc23)c1C
Show InChI InChI=1S/C22H27BrN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 5n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4822
PNG
(5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCn1ccnn1
Show InChI InChI=1S/C20H19FN6O2/c1-11-17(10-15-14-9-13(21)3-4-16(14)25-19(15)28)24-12(2)18(11)20(29)22-5-7-27-8-6-23-26-27/h3-4,6,8-10,24H,5,7H2,1-2H3,(H,22,29)(H,25,28)/b15-10-
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n/an/a 10n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Phosphodiesterase Type 11 (PDE11A)


(Homo sapiens (Human))
BDBM14777
PNG
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)
Show SMILES CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/s2
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n/an/a 10n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Phosphodiesterase Type 4 (PDE4D)


(Homo sapiens (Human))
BDBM14773
PNG
(4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclo...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCC(CC1)C(O)=O)C#N
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)
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n/an/a 11n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-RAF V600E


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
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n/an/a 13n/an/an/an/a7.022



Plexxikon



Assay Description
The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4813
PNG
(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-{[(3Z)-2-...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C22H28N4O2/c1-5-26(6-2)12-11-23-22(28)20-14(3)19(24-15(20)4)13-17-16-9-7-8-10-18(16)25-21(17)27/h7-10,13,24H,5-6,11-12H2,1-4H3,(H,23,28)(H,25,27)/b17-13-
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n/an/a 17n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4819
PNG
(5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yli...)
Show SMILES CN1CCC(CNC(=O)c2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
Show InChI InChI=1S/C23H27FN4O2/c1-13-20(11-18-17-10-16(24)4-5-19(17)27-22(18)29)26-14(2)21(13)23(30)25-12-15-6-8-28(3)9-7-15/h4-5,10-11,15,26H,6-9,12H2,1-3H3,(H,25,30)(H,27,29)/b18-11-
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n/an/a 25n/an/an/an/a7.522



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (Human))
BDBM14773
PNG
(4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclo...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCC(CC1)C(O)=O)C#N
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)
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n/an/a 25n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4815
PNG
(5-{[(3Z)-5-chloro-2-oxo-2,3-dihydro-1H-indol-3-yli...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(Cl)cc23)c1C
Show InChI InChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 27n/an/an/an/a7.522



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4816
PNG
(5-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylid...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(Br)cc23)c1C
Show InChI InChI=1S/C22H27BrN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 32n/an/an/an/a7.522



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4813
PNG
(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-{[(3Z)-2-...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C22H28N4O2/c1-5-26(6-2)12-11-23-22(28)20-14(3)19(24-15(20)4)13-17-16-9-7-8-10-18(16)25-21(17)27/h7-10,13,24H,5-6,11-12H2,1-4H3,(H,23,28)(H,25,27)/b17-13-
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n/an/a 50n/an/an/an/a7.522



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4812
PNG
((3Z)-3-({3,5-dimethyl-4-[3-(4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(CCCc2c(C)[nH]c(\C=C3/C(=O)Nc4ccccc34)c2C)CC1
Show InChI InChI=1S/C23H30N4O/c1-16-18(8-6-10-27-13-11-26(3)12-14-27)17(2)24-22(16)15-20-19-7-4-5-9-21(19)25-23(20)28/h4-5,7,9,15,24H,6,8,10-14H2,1-3H3,(H,25,28)/b20-15-
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n/an/a 60n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 60n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4818
PNG
(5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN1CCCC1
Show InChI InChI=1S/C22H25FN4O2/c1-13-19(12-17-16-11-15(23)5-6-18(16)26-21(17)28)25-14(2)20(13)22(29)24-7-10-27-8-3-4-9-27/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 60n/an/an/an/a7.522



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4817
PNG
(N-[2-(dimethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo...)
Show SMILES CN(C)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C20H23FN4O2/c1-11-17(23-12(2)18(11)20(27)22-7-8-25(3)4)10-15-14-9-13(21)5-6-16(14)24-19(15)26/h5-6,9-10,23H,7-8H2,1-4H3,(H,22,27)(H,24,26)/b15-10-
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n/an/a 80n/an/an/an/a7.522



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 80n/an/an/an/a7.522



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4822
PNG
(5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCn1ccnn1
Show InChI InChI=1S/C20H19FN6O2/c1-11-17(10-15-14-9-13(21)3-4-16(14)25-19(15)28)24-12(2)18(11)20(29)22-5-7-27-8-6-23-26-27/h3-4,6,8-10,24H,5,7H2,1-2H3,(H,22,29)(H,25,28)/b15-10-
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n/an/a 85n/an/an/an/a7.522



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4820
PNG
(5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C22H25FN4O3/c1-13-19(12-17-16-11-15(23)3-4-18(16)26-21(17)28)25-14(2)20(13)22(29)24-5-6-27-7-9-30-10-8-27/h3-4,11-12,25H,5-10H2,1-2H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 90n/an/an/an/a7.522



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
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n/an/a 130n/an/an/an/a7.522



Plexxikon



Assay Description
Enzyme activity was assayed using Z-LYTE Enzymatic Kinase Assay format (Invitrogen Corp., Carlsbad, CA) according to the manufacturer instructions.


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
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n/an/a 160n/an/an/an/a7.022



Plexxikon



Assay Description
The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4821
PNG
(5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCc1ccncc1
Show InChI InChI=1S/C22H19FN4O2/c1-12-19(10-17-16-9-15(23)3-4-18(16)27-21(17)28)26-13(2)20(12)22(29)25-11-14-5-7-24-8-6-14/h3-10,26H,11H2,1-2H3,(H,25,29)(H,27,28)/b17-10-
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n/an/a<160n/an/an/an/a7.522



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM4815
PNG
(5-{[(3Z)-5-chloro-2-oxo-2,3-dihydro-1H-indol-3-yli...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(Cl)cc23)c1C
Show InChI InChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 170n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM4819
PNG
(5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yli...)
Show SMILES CN1CCC(CNC(=O)c2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
Show InChI InChI=1S/C23H27FN4O2/c1-13-20(11-18-17-10-16(24)4-5-19(17)27-22(18)29)26-14(2)21(13)23(30)25-12-15-6-8-28(3)9-7-15/h4-5,10-11,15,26H,6-9,12H2,1-3H3,(H,25,30)(H,27,29)/b18-11-
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n/an/a 200n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Phosphodiesterase Type 11 (PDE11A)


(Homo sapiens (Human))
BDBM14776
PNG
(2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...)
Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
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n/an/a 240n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4812
PNG
((3Z)-3-({3,5-dimethyl-4-[3-(4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(CCCc2c(C)[nH]c(\C=C3/C(=O)Nc4ccccc34)c2C)CC1
Show InChI InChI=1S/C23H30N4O/c1-16-18(8-6-10-27-13-11-26(3)12-14-27)17(2)24-22(16)15-20-19-7-4-5-9-21(19)25-23(20)28/h4-5,7,9,15,24H,6,8,10-14H2,1-3H3,(H,25,28)/b20-15-
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n/an/a 300n/an/an/an/a7.522



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 46: 1116-9 (2003)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q2D50K5B
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM14776
PNG
(2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...)
Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
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n/an/a 300n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
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