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Compile Data Set for Download or QSAR

Found 124 hits with Last Name = 'weigele' and Initial = 'm'   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132351
PNG
(({4-[6-(2,6-Dichloro-phenyl)-8-(3-dimethylamino-pr...)
Show SMILES CN(C)CCCn1c2nc(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C25H27Cl2N5O6P2/c1-31(2)11-4-12-32-23-16(13-19(24(32)33)22-20(26)5-3-6-21(22)27)14-28-25(30-23)29-17-7-9-18(10-8-17)39(34,35)15-40(36,37)38/h3,5-10,13-14H,4,11-12,15H2,1-2H3,(H,34,35)(H,28,29,30)(H2,36,37,38)
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n/an/a 0.300n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 3071-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00649-8
BindingDB Entry DOI: 10.7270/Q21J995T
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50314074
PNG
(2,6,9-Trisubstitute purine, 6 (AP23464) | 3-(2-(2-...)
Show SMILES CP(C)(=O)c1ccc(Nc2nc(nc3n(CCc4cccc(O)c4)cnc23)C2CCCC2)cc1
Show InChI InChI=1S/C26H30N5O2P/c1-34(2,33)22-12-10-20(11-13-22)28-25-23-26(30-24(29-25)19-7-3-4-8-19)31(17-27-23)15-14-18-6-5-9-21(32)16-18/h5-6,9-13,16-17,19,32H,3-4,7-8,14-15H2,1-2H3,(H,28,29,30)
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n/an/a 0.450n/an/an/an/a7.44



ARIAD Pharmaceuticals



Assay Description
Inhibition of human Src kinase activity by ARIAD compounds were measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FR...


Chem Biol Drug Des 67: 46-57 (2006)


Article DOI: 10.1111/j.1747-0285.2005.00316.x
BindingDB Entry DOI: 10.7270/Q2M61HRQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132348
PNG
(({4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-di...)
Show SMILES Cn1c2nc(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H18Cl2N4O6P2/c1-27-19-12(9-15(20(27)28)18-16(22)3-2-4-17(18)23)10-24-21(26-19)25-13-5-7-14(8-6-13)34(29,30)11-35(31,32)33/h2-10H,11H2,1H3,(H,29,30)(H,24,25,26)(H2,31,32,33)
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n/an/a 2n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 3071-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00649-8
BindingDB Entry DOI: 10.7270/Q21J995T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 2 (CDK2)


Bioorg Med Chem Lett 13: 3067-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00648-6
BindingDB Entry DOI: 10.7270/Q25B01V7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132322
PNG
(({2-[(2-{4-[4-Amino-5-(3-hydroxy-phenyl)-pyrrolo[2...)
Show SMILES CN(CCOP(O)(=O)CP(O)(O)=O)CCc1ccc(cc1)-n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C24H29N5O7P2/c1-28(11-12-36-38(34,35)16-37(31,32)33)10-9-17-5-7-19(8-6-17)29-14-21(18-3-2-4-20(30)13-18)22-23(25)26-15-27-24(22)29/h2-8,13-15,30H,9-12,16H2,1H3,(H,34,35)(H2,25,26,27)(H2,31,32,33)
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n/an/a 4n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM3071
PNG
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 38 | 2-ani...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C20H14Cl2N4O/c1-26-18-12(11-23-20(25-18)24-13-6-3-2-4-7-13)10-14(19(26)27)17-15(21)8-5-9-16(17)22/h2-11H,1H3,(H,23,24,25)
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n/an/a 16n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 3071-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00649-8
BindingDB Entry DOI: 10.7270/Q21J995T
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50221656
PNG
(CHEMBL3706663)
Show SMILES Nc1ncnc2n(nc(-c3cccc(O)c3)c12)-c1cccc(c1)P(O)(=O)CC(O)=O
Show InChI InChI=1S/C19H16N5O5P/c20-18-16-17(11-3-1-5-13(25)7-11)23-24(19(16)22-10-21-18)12-4-2-6-14(8-12)30(28,29)9-15(26)27/h1-8,10,25H,9H2,(H,26,27)(H,28,29)(H2,20,21,22)
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n/an/a 20n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM81618
PNG
(2,6,9-Trisubstitute purine, 3)
Show SMILES OCCNc1nc(Nc2cccc(Cl)c2)c2ncn(CCc3cccc(O)c3)c2n1
Show InChI InChI=1S/C21H21ClN6O2/c22-15-4-2-5-16(12-15)25-19-18-20(27-21(26-19)23-8-10-29)28(13-24-18)9-7-14-3-1-6-17(30)11-14/h1-6,11-13,29-30H,7-10H2,(H2,23,25,26,27)
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n/an/a 25n/an/an/an/a7.44



ARIAD Pharmaceuticals



Assay Description
Inhibition of human Src kinase activity by ARIAD compounds were measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FR...


Chem Biol Drug Des 67: 46-57 (2006)


Article DOI: 10.1111/j.1747-0285.2005.00316.x
BindingDB Entry DOI: 10.7270/Q2M61HRQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM81619
PNG
(2,6,9-Trisubstitute purine, 4)
Show SMILES OCCNc1nc(Nc2ccccc2)c2ncn(CCc3cccc(O)c3)c2n1
Show InChI InChI=1S/C21H22N6O2/c28-12-10-22-21-25-19(24-16-6-2-1-3-7-16)18-20(26-21)27(14-23-18)11-9-15-5-4-8-17(29)13-15/h1-8,13-14,28-29H,9-12H2,(H2,22,24,25,26)
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n/an/a 26n/an/an/an/a7.44



ARIAD Pharmaceuticals



Assay Description
Inhibition of human Src kinase activity by ARIAD compounds were measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FR...


Chem Biol Drug Des 67: 46-57 (2006)


Article DOI: 10.1111/j.1747-0285.2005.00316.x
BindingDB Entry DOI: 10.7270/Q2M61HRQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM81620
PNG
(2,6,9-Trisubstitute purine, 5)
Show SMILES Oc1cccc(CCn2cnc3c(Nc4ccccc4)nc(nc23)C2CCCC2)c1
Show InChI InChI=1S/C24H25N5O/c30-20-12-6-7-17(15-20)13-14-29-16-25-21-23(26-19-10-2-1-3-11-19)27-22(28-24(21)29)18-8-4-5-9-18/h1-3,6-7,10-12,15-16,18,30H,4-5,8-9,13-14H2,(H,26,27,28)
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n/an/a 34n/an/an/an/a7.44



ARIAD Pharmaceuticals



Assay Description
Inhibition of human Src kinase activity by ARIAD compounds were measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FR...


Chem Biol Drug Des 67: 46-57 (2006)


Article DOI: 10.1111/j.1747-0285.2005.00316.x
BindingDB Entry DOI: 10.7270/Q2M61HRQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132339
PNG
(3-[4-Amino-7-(4-{2-[(2-hydroxy-ethyl)-methyl-amino...)
Show SMILES CN(CCO)CCc1ccc(cc1)-n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C23H25N5O2/c1-27(11-12-29)10-9-16-5-7-18(8-6-16)28-14-20(17-3-2-4-19(30)13-17)21-22(24)25-15-26-23(21)28/h2-8,13-15,29-30H,9-12H2,1H3,(H2,24,25,26)
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n/an/a 40n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132324
PNG
(3-{4-Amino-7-[4-(2-hydroxy-ethyl)-phenyl]-7H-pyrro...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)-c1ccc(CCO)cc1
Show InChI InChI=1S/C20H18N4O2/c21-19-18-17(14-2-1-3-16(26)10-14)11-24(20(18)23-12-22-19)15-6-4-13(5-7-15)8-9-25/h1-7,10-12,25-26H,8-9H2,(H2,21,22,23)
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ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50451556
PNG
(CHEMBL3084838)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)P(O)(=O)CP(O)(O)=O)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C23H33N7O5P2/c24-15-5-7-17(8-6-15)27-23-28-21(20-22(29-23)30(13-25-20)18-3-1-2-4-18)26-16-9-11-19(12-10-16)36(31,32)14-37(33,34)35/h9-13,15,17-18H,1-8,14,24H2,(H,31,32)(H2,33,34,35)(H2,26,27,28,29)/t15-,17-
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n/an/a 41n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src-mediated dentine resorption in rabbit-osteoclast assay


Bioorg Med Chem Lett 13: 3067-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00648-6
BindingDB Entry DOI: 10.7270/Q25B01V7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132334
PNG
(CHEMBL104215 | [(2-{4-[4-Amino-5-(3-hydroxy-phenyl...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)-c1ccc(CCOP(O)(=O)CP(O)(O)=O)cc1
Show InChI InChI=1S/C21H22N4O7P2/c22-20-19-18(15-2-1-3-17(26)10-15)11-25(21(19)24-12-23-20)16-6-4-14(5-7-16)8-9-32-34(30,31)13-33(27,28)29/h1-7,10-12,26H,8-9,13H2,(H,30,31)(H2,22,23,24)(H2,27,28,29)
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n/an/a 60n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM81623
PNG
(2,6,9-Trisubstitute purine, 9 (AP23451))
Show SMILES CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(NC3CCC(N)CC3)nc12
Show InChI InChI=1S/C20H29N7O5P2/c1-2-27-11-22-17-18(25-20(26-19(17)27)24-15-5-3-13(21)4-6-15)23-14-7-9-16(10-8-14)33(28,29)12-34(30,31)32/h7-11,13,15H,2-6,12,21H2,1H3,(H,28,29)(H2,30,31,32)(H2,23,24,25,26)
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n/an/a 67n/an/an/an/a7.44



ARIAD Pharmaceuticals



Assay Description
Inhibition of human Src kinase activity by ARIAD compounds were measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FR...


Chem Biol Drug Des 67: 46-57 (2006)


Article DOI: 10.1111/j.1747-0285.2005.00316.x
BindingDB Entry DOI: 10.7270/Q2M61HRQ
More data for this
Ligand-Target Pair
Neuronal proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))
BDBM50318870
PNG
(((4-(2-(cis-4-aminocyclohexyl)-9-ethyl-9H-purin-6-...)
Show SMILES CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(nc12)[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C20H28N6O5P2/c1-2-26-11-22-17-19(24-18(25-20(17)26)13-3-5-14(21)6-4-13)23-15-7-9-16(10-8-15)32(27,28)12-33(29,30)31/h7-11,13-14H,2-6,12,21H2,1H3,(H,27,28)(H,23,24,25)(H2,29,30,31)/t13-,14-
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n/an/a 68n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.



Assay Description
2,6,9-Trisubstituted purines were evaluated for their src kinase inhibitory activities using an ELISA assay.


Chem Biol Drug Des 71: 97-105 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00615.x
BindingDB Entry DOI: 10.7270/Q2FF3QTQ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 70n/an/an/an/a7.44



ARIAD Pharmaceuticals



Assay Description
Inhibition of human Src kinase activity by ARIAD compounds were measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FR...


Chem Biol Drug Des 67: 46-57 (2006)


Article DOI: 10.1111/j.1747-0285.2005.00316.x
BindingDB Entry DOI: 10.7270/Q2M61HRQ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Neuronal proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))
BDBM81725
PNG
(2,6,9-Trisubstituted Purine, AP23517)
Show SMILES CCn1cnc2c(Nc3ccccc3)nc(nc12)[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C19H24N6/c1-2-25-12-21-16-18(22-15-6-4-3-5-7-15)23-17(24-19(16)25)13-8-10-14(20)11-9-13/h3-7,12-14H,2,8-11,20H2,1H3,(H,22,23,24)/t13-,14-
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ARIAD Pharmaceuticals, Inc.



Assay Description
2,6,9-Trisubstituted purines were evaluated for their src kinase inhibitory activities using an ELISA assay.


Chem Biol Drug Des 71: 97-105 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00615.x
BindingDB Entry DOI: 10.7270/Q2FF3QTQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132352
PNG
(({3-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-di...)
Show SMILES Cn1c2nc(Nc3cccc(c3)P(O)(=O)CP(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H18Cl2N4O6P2/c1-27-19-12(8-15(20(27)28)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-13-4-2-5-14(9-13)34(29,30)11-35(31,32)33/h2-10H,11H2,1H3,(H,29,30)(H,24,25,26)(H2,31,32,33)
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n/an/a 77n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 3071-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00649-8
BindingDB Entry DOI: 10.7270/Q21J995T
More data for this
Ligand-Target Pair
Neuronal proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))
BDBM81723
PNG
(2,6,9-Trisubstituted Purine, 10)
Show SMILES CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(C[C@@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C21H30N6O5P2/c1-2-27-12-23-19-20(25-18(26-21(19)27)11-14-3-5-15(22)6-4-14)24-16-7-9-17(10-8-16)33(28,29)13-34(30,31)32/h7-10,12,14-15H,2-6,11,13,22H2,1H3,(H,28,29)(H,24,25,26)(H2,30,31,32)/t14-,15+
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n/an/a 101n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.



Assay Description
2,6,9-Trisubstituted purines were evaluated for their src kinase inhibitory activities using an ELISA assay.


Chem Biol Drug Des 71: 97-105 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00615.x
BindingDB Entry DOI: 10.7270/Q2FF3QTQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132330
PNG
(7-tert-Butyl-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Cc1ccc(cc1)-c1cn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C17H20N4/c1-11-5-7-12(8-6-11)13-9-21(17(2,3)4)16-14(13)15(18)19-10-20-16/h5-10H,1-4H3,(H2,18,19,20)
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n/an/a 120n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50451553
PNG
(CHEMBL3084839)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C22H29N7/c23-15-10-12-17(13-11-15)26-22-27-20(25-16-6-2-1-3-7-16)19-21(28-22)29(14-24-19)18-8-4-5-9-18/h1-3,6-7,14-15,17-18H,4-5,8-13,23H2,(H2,25,26,27,28)/t15-,17-
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n/an/a 141n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src-mediated dentine resorption in rabbit-osteoclast assay


Bioorg Med Chem Lett 13: 3067-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00648-6
BindingDB Entry DOI: 10.7270/Q25B01V7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50088903
PNG
(2-((4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C24H27N5O2/c1-28(12-13-30)11-10-17-6-8-19(9-7-17)29-15-21(18-4-3-5-20(14-18)31-2)22-23(25)26-16-27-24(22)29/h3-9,14-16,30H,10-13H2,1-2H3,(H2,25,26,27)
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n/an/a 160n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190583
PNG
(US9181219, 10)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ncc(cc3Cl)C(F)(F)F)c12
Show InChI InChI=1S/C18H16ClF3N2OS/c1-11-4-2-5-12-6-3-7-24(16(11)12)15(25)10-26-17-14(19)8-13(9-23-17)18(20,21)22/h2,4-5,8-9H,3,6-7,10H2,1H3
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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
Phase 1: TRPV3 cells were induced 20-48 hours, removed from growth plates, and replated at low density (to attain good single-cell physical separatio...


US Patent US9181219 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HPH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190579
PNG
(US9181219, 20)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ncccc3Cl)c12
Show InChI InChI=1S/C17H17ClN2OS/c1-12-5-2-6-13-7-4-10-20(16(12)13)15(21)11-22-17-14(18)8-3-9-19-17/h2-3,5-6,8-9H,4,7,10-11H2,1H3
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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
Phase 1: TRPV3 cells were induced 20-48 hours, removed from growth plates, and replated at low density (to attain good single-cell physical separatio...


US Patent US9181219 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HPH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132353
PNG
(CHEMBL102801 | {4-[6-(2,6-Dichloro-phenyl)-8-methy...)
Show SMILES Cn1c2nc(Nc3ccc(OCC(O)=O)c(c3)P(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C22H17Cl2N4O7P/c1-28-20-11(7-13(21(28)31)19-14(23)3-2-4-15(19)24)9-25-22(27-20)26-12-5-6-16(35-10-18(29)30)17(8-12)36(32,33)34/h2-9H,10H2,1H3,(H,29,30)(H,25,26,27)(H2,32,33,34)
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n/an/a 200n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 3071-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00649-8
BindingDB Entry DOI: 10.7270/Q21J995T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190585
PNG
(US9181219, 2-{[3-fluoro-5-(trifluoromethyl)pyridin...)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ncc(cc3F)C(F)(F)F)c12
Show InChI InChI=1S/C18H16F4N2OS/c1-11-4-2-5-12-6-3-7-24(16(11)12)15(25)10-26-17-14(19)8-13(9-23-17)18(20,21)22/h2,4-5,8-9H,3,6-7,10H2,1H3
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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
Phase 1: TRPV3 cells were induced 20-48 hours, removed from growth plates, and replated at low density (to attain good single-cell physical separatio...


US Patent US9181219 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HPH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190588
PNG
(US9181219, 2-[(3,5-dichloropyridin-2-yl)sulfanyl]-...)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ncc(Cl)cc3Cl)c12
Show InChI InChI=1S/C17H16Cl2N2OS/c1-11-4-2-5-12-6-3-7-21(16(11)12)15(22)10-23-17-14(19)8-13(18)9-20-17/h2,4-5,8-9H,3,6-7,10H2,1H3
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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
Phase 1: TRPV3 cells were induced 20-48 hours, removed from growth plates, and replated at low density (to attain good single-cell physical separatio...


US Patent US9181219 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HPH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190593
PNG
(US9181219, 2-[(4,5-dimethylpyridin-2-yl)sulfanyl]-...)
Show SMILES Cc1cnc(SCC(=O)N2CCCc3cccc(C)c23)cc1C
Show InChI InChI=1S/C19H22N2OS/c1-13-6-4-7-16-8-5-9-21(19(13)16)18(22)12-23-17-10-14(2)15(3)11-20-17/h4,6-7,10-11H,5,8-9,12H2,1-3H3
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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
Phase 1: TRPV3 cells were induced 20-48 hours, removed from growth plates, and replated at low density (to attain good single-cell physical separatio...


US Patent US9181219 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HPH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190593
PNG
(US9181219, 2-[(4,5-dimethylpyridin-2-yl)sulfanyl]-...)
Show SMILES Cc1cnc(SCC(=O)N2CCCc3cccc(C)c23)cc1C
Show InChI InChI=1S/C19H22N2OS/c1-13-6-4-7-16-8-5-9-21(19(13)16)18(22)12-23-17-10-14(2)15(3)11-20-17/h4,6-7,10-11H,5,8-9,12H2,1-3H3
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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
To determine whether compounds were selective for TRPV3 inhibition over inhibition of other ion channel types, the human ERG (hERG), NaV1.2, and TRPV...


US Patent US9181219 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HPH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190576
PNG
(US9181219, 6)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ccc(cn3)C(F)(F)F)c12
Show InChI InChI=1S/C18H17F3N2OS/c1-12-4-2-5-13-6-3-9-23(17(12)13)16(24)11-25-15-8-7-14(10-22-15)18(19,20)21/h2,4-5,7-8,10H,3,6,9,11H2,1H3
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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
To determine whether compounds were selective for TRPV3 inhibition over inhibition of other ion channel types, the human ERG (hERG), NaV1.2, and TRPV...


US Patent US9181219 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HPH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190585
PNG
(US9181219, 2-{[3-fluoro-5-(trifluoromethyl)pyridin...)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ncc(cc3F)C(F)(F)F)c12
Show InChI InChI=1S/C18H16F4N2OS/c1-11-4-2-5-12-6-3-7-24(16(11)12)15(25)10-26-17-14(19)8-13(9-23-17)18(20,21)22/h2,4-5,8-9H,3,6-7,10H2,1H3
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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
To determine whether compounds were selective for TRPV3 inhibition over inhibition of other ion channel types, the human ERG (hERG), NaV1.2, and TRPV...


US Patent US9181219 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HPH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190588
PNG
(US9181219, 2-[(3,5-dichloropyridin-2-yl)sulfanyl]-...)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ncc(Cl)cc3Cl)c12
Show InChI InChI=1S/C17H16Cl2N2OS/c1-11-4-2-5-12-6-3-7-21(16(11)12)15(22)10-23-17-14(19)8-13(18)9-20-17/h2,4-5,8-9H,3,6-7,10H2,1H3
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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
To determine whether compounds were selective for TRPV3 inhibition over inhibition of other ion channel types, the human ERG (hERG), NaV1.2, and TRPV...


US Patent US9181219 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HPH
More data for this
Ligand-Target Pair
Neuronal proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))
BDBM81722
PNG
(2,6,9-Trisubstituted Purine, 9)
Show SMILES CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(C[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C21H30N6O5P2/c1-2-27-12-23-19-20(25-18(26-21(19)27)11-14-3-5-15(22)6-4-14)24-16-7-9-17(10-8-16)33(28,29)13-34(30,31)32/h7-10,12,14-15H,2-6,11,13,22H2,1H3,(H,28,29)(H,24,25,26)(H2,30,31,32)/t14-,15-
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n/an/a 205n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.



Assay Description
2,6,9-Trisubstituted purines were evaluated for their src kinase inhibitory activities using an ELISA assay.


Chem Biol Drug Des 71: 97-105 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00615.x
BindingDB Entry DOI: 10.7270/Q2FF3QTQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM81622
PNG
(2,6,9-Trisubstitute purine, 8)
Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(NC3CCC(N)CC3)nc12
Show InChI InChI=1S/C21H31N7O5P2/c1-13(2)28-11-23-18-19(26-21(27-20(18)28)25-16-5-3-14(22)4-6-16)24-15-7-9-17(10-8-15)34(29,30)12-35(31,32)33/h7-11,13-14,16H,3-6,12,22H2,1-2H3,(H,29,30)(H2,31,32,33)(H2,24,25,26,27)
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n/an/a 239n/an/an/an/a7.44



ARIAD Pharmaceuticals



Assay Description
Inhibition of human Src kinase activity by ARIAD compounds were measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FR...


Chem Biol Drug Des 67: 46-57 (2006)


Article DOI: 10.1111/j.1747-0285.2005.00316.x
BindingDB Entry DOI: 10.7270/Q2M61HRQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 240n/an/an/an/a7.44



ARIAD Pharmaceuticals



Assay Description
Inhibition of human Src kinase activity by ARIAD compounds were measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FR...


Chem Biol Drug Des 67: 46-57 (2006)


Article DOI: 10.1111/j.1747-0285.2005.00316.x
BindingDB Entry DOI: 10.7270/Q2M61HRQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132335
PNG
(CHEMBL104857 | [(3-{4-[4-Amino-5-(3-methoxy-phenyl...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(cc2)C(=O)NCCCP(O)(=O)CP(O)(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C24H27N5O7P2/c1-36-19-5-2-4-17(12-19)20-13-29(23-21(20)22(25)27-14-28-23)18-8-6-16(7-9-18)24(30)26-10-3-11-37(31,32)15-38(33,34)35/h2,4-9,12-14H,3,10-11,15H2,1H3,(H,26,30)(H,31,32)(H2,25,27,28)(H2,33,34,35)
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n/an/a 250n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Neuronal proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))
BDBM50318870
PNG
(((4-(2-(cis-4-aminocyclohexyl)-9-ethyl-9H-purin-6-...)
Show SMILES CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(nc12)[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C20H28N6O5P2/c1-2-26-11-22-17-19(24-18(25-20(17)26)13-3-5-14(21)6-4-13)23-15-7-9-16(10-8-15)32(27,28)12-33(29,30)31/h7-11,13-14H,2-6,12,21H2,1H3,(H,27,28)(H,23,24,25)(H2,29,30,31)/t13-,14-
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n/an/a 273n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.



Assay Description
2,6,9-Trisubstituted purines were evaluated for their src kinase inhibitory activities using an ELISA assay.


Chem Biol Drug Des 71: 97-105 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00615.x
BindingDB Entry DOI: 10.7270/Q2FF3QTQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132333
PNG
(({2-[(2-{4-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCOP(O)(=O)CP(O)(O)=O)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C25H31N5O7P2/c1-29(12-13-37-39(34,35)17-38(31,32)33)11-10-18-6-8-20(9-7-18)30-15-22(19-4-3-5-21(14-19)36-2)23-24(26)27-16-28-25(23)30/h3-9,14-16H,10-13,17H2,1-2H3,(H,34,35)(H2,26,27,28)(H2,31,32,33)
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n/an/a 310n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50221655
PNG
(CHEMBL3706661)
Show SMILES Cc1ccc(cc1)-c1nn(-c2cccc(c2)C(=O)NCc2ccc(c(c2)P(O)(O)=O)P(O)(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C26H24N6O7P2/c1-15-5-8-17(9-6-15)23-22-24(27)29-14-30-25(22)32(31-23)19-4-2-3-18(12-19)26(33)28-13-16-7-10-20(40(34,35)36)21(11-16)41(37,38)39/h2-12,14H,13H2,1H3,(H,28,33)(H2,27,29,30)(H2,34,35,36)(H2,37,38,39)
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n/an/a 320n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50097348
PNG
(CHEMBL348743 | [(4-{2-Acetylamino-2-[1-(3-carbamoy...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(P(O)(O)=O)P(O)(O)=O)NC(C)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C28H39N3O10P2/c1-17(22-12-13-25(23(15-22)26(29)33)41-16-20-6-4-3-5-7-20)30-27(34)24(31-18(2)32)14-19-8-10-21(11-9-19)28(42(35,36)37)43(38,39)40/h8-13,15,17,20,24,28H,3-7,14,16H2,1-2H3,(H2,29,33)(H,30,34)(H,31,32)(H2,35,36,37)(H2,38,39,40)/t17-,24-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Src SH2 domain


J Med Chem 44: 660-3 (2001)


Article DOI: 10.1021/jm0002681
BindingDB Entry DOI: 10.7270/Q2DJ5DWC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132328
PNG
(CHEMBL321116 | [(3-{3-[4-Amino-5-(3-methoxy-phenyl...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(c2)C(=O)NCCCP(O)(=O)CP(O)(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C24H27N5O7P2/c1-36-19-8-3-5-16(12-19)20-13-29(23-21(20)22(25)27-14-28-23)18-7-2-6-17(11-18)24(30)26-9-4-10-37(31,32)15-38(33,34)35/h2-3,5-8,11-14H,4,9-10,15H2,1H3,(H,26,30)(H,31,32)(H2,25,27,28)(H2,33,34,35)
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n/an/a 360n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50221654
PNG
(CHEMBL3706662)
Show SMILES Cc1ccc(cc1)-c1nn(-c2cccc(c2)C(=O)NCCCP(O)(=O)CP(O)(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O6P2/c1-15-6-8-16(9-7-15)20-19-21(24)26-13-27-22(19)29(28-20)18-5-2-4-17(12-18)23(30)25-10-3-11-36(31,32)14-37(33,34)35/h2,4-9,12-13H,3,10-11,14H2,1H3,(H,25,30)(H,31,32)(H2,24,26,27)(H2,33,34,35)
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n/an/a 400n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190591
PNG
(US9181219, 2-[(3-chloropyridin-2-yl)sulfanyl]-1-(8...)
Show SMILES COc1cccc2CCCN(C(=O)CSc3ncccc3Cl)c12
Show InChI InChI=1S/C17H17ClN2O2S/c1-22-14-8-2-5-12-6-4-10-20(16(12)14)15(21)11-23-17-13(18)7-3-9-19-17/h2-3,5,7-9H,4,6,10-11H2,1H3
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n/an/a<500n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
To determine whether compounds were selective for TRPV3 inhibition over inhibition of other ion channel types, the human ERG (hERG), NaV1.2, and TRPV...


US Patent US9181219 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HPH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190578
PNG
(US9181219, 16)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ccc(Cl)cn3)c12
Show InChI InChI=1S/C17H17ClN2OS/c1-12-4-2-5-13-6-3-9-20(17(12)13)16(21)11-22-15-8-7-14(18)10-19-15/h2,4-5,7-8,10H,3,6,9,11H2,1H3
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n/an/a<500n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
To determine whether compounds were selective for TRPV3 inhibition over inhibition of other ion channel types, the human ERG (hERG), NaV1.2, and TRPV...


US Patent US9181219 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HPH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190578
PNG
(US9181219, 16)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ccc(Cl)cn3)c12
Show InChI InChI=1S/C17H17ClN2OS/c1-12-4-2-5-13-6-3-9-20(17(12)13)16(21)11-22-15-8-7-14(18)10-19-15/h2,4-5,7-8,10H,3,6,9,11H2,1H3
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n/an/a<500n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
Phase 1: TRPV3 cells were induced 20-48 hours, removed from growth plates, and replated at low density (to attain good single-cell physical separatio...


US Patent US9181219 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HPH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190591
PNG
(US9181219, 2-[(3-chloropyridin-2-yl)sulfanyl]-1-(8...)
Show SMILES COc1cccc2CCCN(C(=O)CSc3ncccc3Cl)c12
Show InChI InChI=1S/C17H17ClN2O2S/c1-22-14-8-2-5-12-6-4-10-20(16(12)14)15(21)11-23-17-13(18)7-3-9-19-17/h2-3,5,7-9H,4,6,10-11H2,1H3
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n/an/a<500n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
Phase 1: TRPV3 cells were induced 20-48 hours, removed from growth plates, and replated at low density (to attain good single-cell physical separatio...


US Patent US9181219 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HPH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190590
PNG
(US9181219, 2-{[2-(8-methyl-1,2,3,4-tetrahydroquino...)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ncccc3C#N)c12
Show InChI InChI=1S/C18H17N3OS/c1-13-5-2-6-14-8-4-10-21(17(13)14)16(22)12-23-18-15(11-19)7-3-9-20-18/h2-3,5-7,9H,4,8,10,12H2,1H3
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n/an/a<500n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
To determine whether compounds were selective for TRPV3 inhibition over inhibition of other ion channel types, the human ERG (hERG), NaV1.2, and TRPV...


US Patent US9181219 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HPH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190586
PNG
(US9181219, 2-[(5-bromopyridin-2-yl)sulfanyl]-1-(8-...)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ccc(Br)cn3)c12
Show InChI InChI=1S/C17H17BrN2OS/c1-12-4-2-5-13-6-3-9-20(17(12)13)16(21)11-22-15-8-7-14(18)10-19-15/h2,4-5,7-8,10H,3,6,9,11H2,1H3
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n/an/a<500n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
Phase 1: TRPV3 cells were induced 20-48 hours, removed from growth plates, and replated at low density (to attain good single-cell physical separatio...


US Patent US9181219 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HPH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190586
PNG
(US9181219, 2-[(5-bromopyridin-2-yl)sulfanyl]-1-(8-...)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ccc(Br)cn3)c12
Show InChI InChI=1S/C17H17BrN2OS/c1-12-4-2-5-13-6-3-9-20(17(12)13)16(21)11-22-15-8-7-14(18)10-19-15/h2,4-5,7-8,10H,3,6,9,11H2,1H3
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n/an/a<500n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
To determine whether compounds were selective for TRPV3 inhibition over inhibition of other ion channel types, the human ERG (hERG), NaV1.2, and TRPV...


US Patent US9181219 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HPH
More data for this
Ligand-Target Pair
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