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Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'narula' and Initial = 'ss'   
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))
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
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
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))
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))
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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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))
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))
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
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
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
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
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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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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132326
PNG
(CHEMBL421405 | {[4-(4-Amino-3-p-tolyl-pyrazolo[3,4...)
Show SMILES Cc1ccc(cc1)-c1nn(CCCCOP(O)(=O)CP(O)(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C17H23N5O6P2/c1-12-4-6-13(7-5-12)15-14-16(18)19-10-20-17(14)22(21-15)8-2-3-9-28-30(26,27)11-29(23,24)25/h4-7,10H,2-3,8-9,11H2,1H3,(H,26,27)(H2,18,19,20)(H2,23,24,25)
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n/an/a 680n/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))
BDBM50132338
PNG
(CHEMBL102183 | [(2-{4-[4-Amino-5-(3-methoxy-phenyl...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCOP(O)(=O)CP(O)(O)=O)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C22H24N4O7P2/c1-32-18-4-2-3-16(11-18)19-12-26(22-20(19)21(23)24-13-25-22)17-7-5-15(6-8-17)9-10-33-35(30,31)14-34(27,28)29/h2-8,11-13H,9-10,14H2,1H3,(H,30,31)(H2,23,24,25)(H2,27,28,29)
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n/an/a 700n/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))
BDBM50132350
PNG
(({4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-di...)
Show SMILES Cn1c2nc(Nc3ccc(CP(O)(=O)CP(O)(O)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C22H20Cl2N4O6P2/c1-28-20-14(9-16(21(28)29)19-17(23)3-2-4-18(19)24)10-25-22(27-20)26-15-7-5-13(6-8-15)11-35(30,31)12-36(32,33)34/h2-10H,11-12H2,1H3,(H,30,31)(H,25,26,27)(H2,32,33,34)
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n/an/a 750n/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))
BDBM50132325
PNG
((4-{4-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(cc2)C(=O)Nc2ccc(c(c2)P(O)(O)=O)P(O)(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C26H23N5O8P2/c1-39-19-4-2-3-16(11-19)20-13-31(25-23(20)24(27)28-14-29-25)18-8-5-15(6-9-18)26(32)30-17-7-10-21(40(33,34)35)22(12-17)41(36,37)38/h2-14H,1H3,(H,30,32)(H2,27,28,29)(H2,33,34,35)(H2,36,37,38)
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n/an/a 870n/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))
BDBM50132329
PNG
(2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C21H20N4O2/c1-27-17-4-2-3-15(11-17)18-12-25(21-19(18)20(22)23-13-24-21)16-7-5-14(6-8-16)9-10-26/h2-8,11-13,26H,9-10H2,1H3,(H2,22,23,24)
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n/an/a 1.15E+3n/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))
BDBM50101077
PNG
((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(25(37)38)29-24(36)18(9-11-20(32)33)28-23(35)17(8-10-19(30)31)27-22(34)16(26)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,37,38)(H2,39,40,41)/t13-,16-,17-,18-,21-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for wild type Src SH2 domain using BIAcore binding assay


Bioorg Med Chem Lett 11: 1665-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00269-4
BindingDB Entry DOI: 10.7270/Q23J3C8B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132349
PNG
(CHEMBL320374 | {5-[6-(2,6-Dichloro-phenyl)-8-methy...)
Show SMILES Cn1c2nc(Nc3ccc(c(c3)P(O)(O)=O)P(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C20H16Cl2N4O7P2/c1-26-18-10(7-12(19(26)27)17-13(21)3-2-4-14(17)22)9-23-20(25-18)24-11-5-6-15(34(28,29)30)16(8-11)35(31,32)33/h2-9H,1H3,(H,23,24,25)(H2,28,29,30)(H2,31,32,33)
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n/an/a 1.30E+3n/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))
BDBM50101077
PNG
((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(25(37)38)29-24(36)18(9-11-20(32)33)28-23(35)17(8-10-19(30)31)27-22(34)16(26)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,37,38)(H2,39,40,41)/t13-,16-,17-,18-,21-/m0/s1
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n/an/a 1.33E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of trypsin in human mast cells


Bioorg Med Chem Lett 11: 1665-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00269-4
BindingDB Entry DOI: 10.7270/Q23J3C8B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132332
PNG
(4-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(cc2)C(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C20H16N4O3/c1-27-15-4-2-3-13(9-15)16-10-24(19-17(16)18(21)22-11-23-19)14-7-5-12(6-8-14)20(25)26/h2-11H,1H3,(H,25,26)(H2,21,22,23)
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n/an/a 1.50E+3n/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))
BDBM50221653
PNG
(CHEMBL3706664)
Show SMILES COc1cccc(c1)-c1nn(-c2cccc(c2)P(O)(=O)CC(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C20H18N5O5P/c1-30-14-6-2-4-12(8-14)18-17-19(21)22-11-23-20(17)25(24-18)13-5-3-7-15(9-13)31(28,29)10-16(26)27/h2-9,11H,10H2,1H3,(H,26,27)(H,28,29)(H2,21,22,23)
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n/an/a 1.60E+3n/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))
BDBM50097347
PNG
(CHEMBL346499 | Phosphoric acid mono-(4-{2-acetylam...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C27H36N3O8P/c1-17(21-10-13-25(23(15-21)26(28)32)37-16-20-6-4-3-5-7-20)29-27(33)24(30-18(2)31)14-19-8-11-22(12-9-19)38-39(34,35)36/h8-13,15,17,20,24H,3-7,14,16H2,1-2H3,(H2,28,32)(H,29,33)(H,30,31)(H2,34,35,36)/t17-,24-/m0/s1
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n/an/a 2.20E+3n/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))
BDBM50101081
PNG
((S)-4-((S)-2-{2-Acetylamino-3-[4-(2-methoxycarbony...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1ccc(cc1)C(=O)C(=O)C(=O)OC)NC(C)=O)C(N)=O
Show InChI InChI=1S/C31H41N5O13/c1-5-15(2)24(27(32)44)36-29(46)20(11-13-23(40)41)34-28(45)19(10-12-22(38)39)35-30(47)21(33-16(3)37)14-17-6-8-18(9-7-17)25(42)26(43)31(48)49-4/h6-9,15,19-21,24H,5,10-14H2,1-4H3,(H2,32,44)(H,33,37)(H,34,45)(H,35,47)(H,36,46)(H,38,39)(H,40,41)/t15-,19-,20-,21?,24-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of trypsin in human mast cells


Bioorg Med Chem Lett 11: 1665-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00269-4
BindingDB Entry DOI: 10.7270/Q23J3C8B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132331
PNG
((4-{3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(c2)C(=O)Nc2ccc(c(c2)P(O)(O)=O)P(O)(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C26H23N5O8P2/c1-39-19-7-3-4-15(11-19)20-13-31(25-23(20)24(27)28-14-29-25)18-6-2-5-16(10-18)26(32)30-17-8-9-21(40(33,34)35)22(12-17)41(36,37)38/h2-14H,1H3,(H,30,32)(H2,27,28,29)(H2,33,34,35)(H2,36,37,38)
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n/an/a 2.50E+3n/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))
BDBM50132327
PNG
(3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(c2)C(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C20H16N4O3/c1-27-15-7-3-4-12(9-15)16-10-24(19-17(16)18(21)22-11-23-19)14-6-2-5-13(8-14)20(25)26/h2-11H,1H3,(H,25,26)(H2,21,22,23)
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n/an/a 4.00E+3n/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))
BDBM50097350
PNG
(4-[2-Acetylamino-3-(4-phosphonooxy-phenyl)-propion...)
Show SMILES CC(C)CC(NC(=O)C(CCC(O)=O)NC(=O)C(CCC(O)=O)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C27H40N5O13P/c1-14(2)12-20(24(28)38)32-26(40)19(9-11-23(36)37)30-25(39)18(8-10-22(34)35)31-27(41)21(29-15(3)33)13-16-4-6-17(7-5-16)45-46(42,43)44/h4-7,14,18-21H,8-13H2,1-3H3,(H2,28,38)(H,29,33)(H,30,39)(H,31,41)(H,32,40)(H,34,35)(H,36,37)(H2,42,43,44)
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n/an/a 5.00E+3n/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))
BDBM50451559
PNG
(CHEMBL102550)
Show SMILES OP(O)(=O)CP(O)(=O)CCCNc1nc(Nc2ccccc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C20H28N6O5P2/c27-32(28,14-33(29,30)31)12-6-11-21-20-24-18(23-15-7-2-1-3-8-15)17-19(25-20)26(13-22-17)16-9-4-5-10-16/h1-3,7-8,13,16H,4-6,9-12,14H2,(H,27,28)(H2,29,30,31)(H2,21,23,24,25)
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n/an/a 5.23E+3n/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))
BDBM50080177
PNG
((S)-4-{(S)-2-[(S)-2-Acetylamino-3-(4-phosphonooxy-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C27H40N5O13P/c1-4-14(2)23(24(28)38)32-26(40)19(10-12-22(36)37)30-25(39)18(9-11-21(34)35)31-27(41)20(29-15(3)33)13-16-5-7-17(8-6-16)45-46(42,43)44/h5-8,14,18-20,23H,4,9-13H2,1-3H3,(H2,28,38)(H,29,33)(H,30,39)(H,31,41)(H,32,40)(H,34,35)(H,36,37)(H2,42,43,44)/t14-,18-,19-,20-,23-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Src SH2 domain


Bioorg Med Chem Lett 9: 2353-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00388-1
BindingDB Entry DOI: 10.7270/Q2JS9QZ5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50097349
PNG
((4-{2-Acetylamino-2-[1-(3-carbamoyl-4-cyclohexylme...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(CP(O)(O)=O)cc1)NC(C)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C28H38N3O7P/c1-18(23-12-13-26(24(15-23)27(29)33)38-16-21-6-4-3-5-7-21)30-28(34)25(31-19(2)32)14-20-8-10-22(11-9-20)17-39(35,36)37/h8-13,15,18,21,25H,3-7,14,16-17H2,1-2H3,(H2,29,33)(H,30,34)(H,31,32)(H2,35,36,37)/t18-,25-/m0/s1
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n/an/a 7.90E+3n/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))
BDBM50101078
PNG
((S)-4-{2-Acetylamino-3-[4-(2-methoxycarbonyl-2-oxo...)
Show SMILES COC(=O)C(=O)C(=O)c1ccc(CC(NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O)cc1
Show InChI InChI=1S/C30H41N5O12/c1-14(2)12-20(26(31)42)34-29(45)23(15(3)36)35-27(43)19(10-11-22(38)39)33-28(44)21(32-16(4)37)13-17-6-8-18(9-7-17)24(40)25(41)30(46)47-5/h6-9,14-15,19-21,23,36H,10-13H2,1-5H3,(H2,31,42)(H,32,37)(H,33,44)(H,34,45)(H,35,43)(H,38,39)/t15-,19+,20+,21?,23+/m1/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of trypsin in human mast cells


Bioorg Med Chem Lett 11: 1665-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00269-4
BindingDB Entry DOI: 10.7270/Q23J3C8B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50451558
PNG
(CHEMBL102976)
Show SMILES CN(C)CCNc1nc(Nc2ccccc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C20H27N7/c1-26(2)13-12-21-20-24-18(23-15-8-4-3-5-9-15)17-19(25-20)27(14-22-17)16-10-6-7-11-16/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H2,21,23,24,25)
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n/an/a 9.81E+3n/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))
BDBM50451554
PNG
(CHEMBL3085229)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(c(c2)P(O)(O)=O)P(O)(O)=O)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C22H31N7O6P2/c23-13-5-7-14(8-6-13)26-22-27-20(19-21(28-22)29(12-24-19)16-3-1-2-4-16)25-15-9-10-17(36(30,31)32)18(11-15)37(33,34)35/h9-14,16H,1-8,23H2,(H2,30,31,32)(H2,33,34,35)(H2,25,26,27,28)/t13-,14-
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n/an/a 1.57E+4n/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))
BDBM50101079
PNG
(4-((S)-1-Carbamoyl-2-methyl-butylcarbamoyl)-4-((S)...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1cccc(c1)C(=O)C(O)(O)C(=O)OC)C(N)=O
Show InChI InChI=1S/C29H40N4O13/c1-4-15(2)23(25(30)40)33-27(42)19(10-13-22(37)38)32-26(41)18(9-12-21(35)36)31-20(34)11-8-16-6-5-7-17(14-16)24(39)29(44,45)28(43)46-3/h5-7,14-15,18-19,23,44-45H,4,8-13H2,1-3H3,(H2,30,40)(H,31,34)(H,32,41)(H,33,42)(H,35,36)(H,37,38)/t15-,18-,19-,23-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for wild type Src SH2 domain using BIAcore binding assay


Bioorg Med Chem Lett 11: 1665-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00269-4
BindingDB Entry DOI: 10.7270/Q23J3C8B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132323
PNG
(CHEMBL104077 | [(4-{3-[4-Amino-5-(3-methoxy-phenyl...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(c2)C(=O)Nc2ccc(cc2)C(P(O)(O)=O)P(O)(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C27H25N5O8P2/c1-40-21-7-3-4-17(13-21)22-14-32(25-23(22)24(28)29-15-30-25)20-6-2-5-18(12-20)26(33)31-19-10-8-16(9-11-19)27(41(34,35)36)42(37,38)39/h2-15,27H,1H3,(H,31,33)(H2,28,29,30)(H2,34,35,36)(H2,37,38,39)
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n/an/a 1.90E+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))
BDBM50101083
PNG
((S)-4-((1S,2S)-1-Carbamoyl-2-methyl-butylcarbamoyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)C(=O)C(O)(O)C(=O)OC)C(N)=O
Show InChI InChI=1S/C29H40N4O13/c1-4-15(2)23(25(30)40)33-27(42)19(11-14-22(37)38)32-26(41)18(10-13-21(35)36)31-20(34)12-7-16-5-8-17(9-6-16)24(39)29(44,45)28(43)46-3/h5-6,8-9,15,18-19,23,44-45H,4,7,10-14H2,1-3H3,(H2,30,40)(H,31,34)(H,32,41)(H,33,42)(H,35,36)(H,37,38)/t15-,18-,19-,23-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of trypsin in human mast cells


Bioorg Med Chem Lett 11: 1665-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00269-4
BindingDB Entry DOI: 10.7270/Q23J3C8B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50451555
PNG
(CHEMBL3085230)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(P(O)(O)=O)P(O)(O)=O)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C23H33N7O6P2/c24-15-7-11-17(12-8-15)27-23-28-20(19-21(29-23)30(13-25-19)18-3-1-2-4-18)26-16-9-5-14(6-10-16)22(37(31,32)33)38(34,35)36/h5-6,9-10,13,15,17-18,22H,1-4,7-8,11-12,24H2,(H2,31,32,33)(H2,34,35,36)(H2,26,27,28,29)/t15-,17-
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n/an/a 2.20E+4n/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))
BDBM50080173
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)c1nc(CC2CCCCC2)cs1
Show InChI InChI=1S/C25H34N3O8PS/c1-16(29)26-22(14-18-7-9-20(10-8-18)36-37(33,34)35)24(32)28-21(11-12-23(30)31)25-27-19(15-38-25)13-17-5-3-2-4-6-17/h7-10,15,17,21-22H,2-6,11-14H2,1H3,(H,26,29)(H,28,32)(H,30,31)(H2,33,34,35)/t21-,22-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Src SH2 domain


Bioorg Med Chem Lett 9: 2353-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00388-1
BindingDB Entry DOI: 10.7270/Q2JS9QZ5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132337
PNG
(CHEMBL101795 | [(4-{4-[4-Amino-5-(3-methoxy-phenyl...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(cc2)C(=O)Nc2ccc(cc2)C(P(O)(O)=O)P(O)(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C27H25N5O8P2/c1-40-21-4-2-3-18(13-21)22-14-32(25-23(22)24(28)29-15-30-25)20-11-7-16(8-12-20)26(33)31-19-9-5-17(6-10-19)27(41(34,35)36)42(37,38)39/h2-15,27H,1H3,(H,31,33)(H2,28,29,30)(H2,34,35,36)(H2,37,38,39)
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n/an/a 4.00E+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))
BDBM50451557
PNG
(CHEMBL105576)
Show SMILES OC(CCCNc1nc(Nc2ccccc2)c2ncn(C3CCCC3)c2n1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C20H28N6O7P2/c27-20(34(28,29)30,35(31,32)33)11-6-12-21-19-24-17(23-14-7-2-1-3-8-14)16-18(25-19)26(13-22-16)15-9-4-5-10-15/h1-3,7-8,13,15,27H,4-6,9-12H2,(H2,28,29,30)(H2,31,32,33)(H2,21,23,24,25)
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n/an/a 4.82E+4n/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))
BDBM50101080
PNG
(2,2-Dihydroxy-3-oxo-3-phenyl-propionic acid methyl...)
Show SMILES COC(=O)C(O)(O)C(=O)c1ccccc1
Show InChI InChI=1S/C10H10O5/c1-15-9(12)10(13,14)8(11)7-5-3-2-4-6-7/h2-6,13-14H,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for wild type Src SH2 domain using BIAcore binding assay


Bioorg Med Chem Lett 11: 1665-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00269-4
BindingDB Entry DOI: 10.7270/Q23J3C8B
More data for this
Ligand-Target Pair
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