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Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'kawahata' and Initial = 'n'   
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))
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))
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))
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))
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))
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
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50103784
PNG
(CHEMBL77638 | Phosphoric acid mono-(4-{2-acetylami...)
Show SMILES C[C@H](NC(=O)C(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 2.60E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Yes SH2 domain


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103784
PNG
(CHEMBL77638 | Phosphoric acid mono-(4-{2-acetylami...)
Show SMILES C[C@H](NC(=O)C(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 2.70E+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 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103781
PNG
((4-{2-Acetylamino-2-[1-(3-carbamoyl-4-cyclohexylme...)
Show SMILES CC(=O)NC(Cc1ccc(OCC(O)=O)c(c1)P(O)(O)=O)C(=O)NC(C)(C)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C30H40N3O10P/c1-18(34)32-23(13-20-9-11-25(43-17-27(35)36)26(14-20)44(39,40)41)29(38)33-30(2,3)21-10-12-24(22(15-21)28(31)37)42-16-19-7-5-4-6-8-19/h9-12,14-15,19,23H,4-8,13,16-17H2,1-3H3,(H2,31,37)(H,32,34)(H,33,38)(H,35,36)(H2,39,40,41)
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n/an/a 3.20E+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 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103782
PNG
((4-{2-Acetylamino-2-[(S)-1-(3-carbamoyl-4-cyclohex...)
Show SMILES C[C@H](NC(=O)C(Cc1ccc(OCC(O)=O)c(c1)P(O)(O)=O)NC(C)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C29H38N3O10P/c1-17(21-9-11-24(22(14-21)28(30)36)41-15-19-6-4-3-5-7-19)31-29(37)23(32-18(2)33)12-20-8-10-25(42-16-27(34)35)26(13-20)43(38,39)40/h8-11,13-14,17,19,23H,3-7,12,15-16H2,1-2H3,(H2,30,36)(H,31,37)(H,32,33)(H,34,35)(H2,38,39,40)/t17-,23?/m0/s1
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n/an/a 3.60E+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 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103780
PNG
(CHEMBL308734 | [4-{2-Acetylamino-2-[(S)-1-(3-carba...)
Show SMILES CCOP(O)(=O)c1cc(CC(NC(C)=O)C(=O)N[C@@H](C)c2ccc(OCC3CCCCC3)c(c2)C(N)=O)ccc1OCC(O)=O
Show InChI InChI=1S/C31H42N3O10P/c1-4-44-45(40,41)28-15-22(10-12-27(28)43-18-29(36)37)14-25(34-20(3)35)31(39)33-19(2)23-11-13-26(24(16-23)30(32)38)42-17-21-8-6-5-7-9-21/h10-13,15-16,19,21,25H,4-9,14,17-18H2,1-3H3,(H2,32,38)(H,33,39)(H,34,35)(H,36,37)(H,40,41)/t19-,25?/m0/s1
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n/an/a 7.30E+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 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103786
PNG
((4-{2-[1-(3-Carbamoyl-4-cyclohexylmethoxy-phenyl)-...)
Show SMILES CC(C)(NC(=O)CCc1ccc(OCC(O)=O)c(c1)P(O)(O)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C28H37N2O9P/c1-28(2,20-10-12-22(21(15-20)27(29)34)38-16-19-6-4-3-5-7-19)30-25(31)13-9-18-8-11-23(39-17-26(32)33)24(14-18)40(35,36)37/h8,10-12,14-15,19H,3-7,9,13,16-17H2,1-2H3,(H2,29,34)(H,30,31)(H,32,33)(H2,35,36,37)
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n/an/a 3.54E+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 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50103781
PNG
((4-{2-Acetylamino-2-[1-(3-carbamoyl-4-cyclohexylme...)
Show SMILES CC(=O)NC(Cc1ccc(OCC(O)=O)c(c1)P(O)(O)=O)C(=O)NC(C)(C)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C30H40N3O10P/c1-18(34)32-23(13-20-9-11-25(43-17-27(35)36)26(14-20)44(39,40)41)29(38)33-30(2,3)21-10-12-24(22(15-21)28(31)37)42-16-19-7-5-4-6-8-19/h9-12,14-15,19,23H,4-8,13,16-17H2,1-3H3,(H2,31,37)(H,32,34)(H,33,38)(H,35,36)(H2,39,40,41)
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n/an/a 9.45E+4n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Yes SH2 domain


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50103782
PNG
((4-{2-Acetylamino-2-[(S)-1-(3-carbamoyl-4-cyclohex...)
Show SMILES C[C@H](NC(=O)C(Cc1ccc(OCC(O)=O)c(c1)P(O)(O)=O)NC(C)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C29H38N3O10P/c1-17(21-9-11-24(22(14-21)28(30)36)41-15-19-6-4-3-5-7-19)31-29(37)23(32-18(2)33)12-20-8-10-25(42-16-27(34)35)26(13-20)43(38,39)40/h8-11,13-14,17,19,23H,3-7,12,15-16H2,1-2H3,(H2,30,36)(H,31,37)(H,32,33)(H,34,35)(H2,38,39,40)/t17-,23?/m0/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Yes SH2 domain


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50103780
PNG
(CHEMBL308734 | [4-{2-Acetylamino-2-[(S)-1-(3-carba...)
Show SMILES CCOP(O)(=O)c1cc(CC(NC(C)=O)C(=O)N[C@@H](C)c2ccc(OCC3CCCCC3)c(c2)C(N)=O)ccc1OCC(O)=O
Show InChI InChI=1S/C31H42N3O10P/c1-4-44-45(40,41)28-15-22(10-12-27(28)43-18-29(36)37)14-25(34-20(3)35)31(39)33-19(2)23-11-13-26(24(16-23)30(32)38)42-17-21-8-6-5-7-9-21/h10-13,15-16,19,21,25H,4-9,14,17-18H2,1-3H3,(H2,32,38)(H,33,39)(H,34,35)(H,36,37)(H,40,41)/t19-,25?/m0/s1
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n/an/a 1.56E+5n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Yes SH2 domain


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50103786
PNG
((4-{2-[1-(3-Carbamoyl-4-cyclohexylmethoxy-phenyl)-...)
Show SMILES CC(C)(NC(=O)CCc1ccc(OCC(O)=O)c(c1)P(O)(O)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C28H37N2O9P/c1-28(2,20-10-12-22(21(15-20)27(29)34)38-16-19-6-4-3-5-7-19)30-25(31)13-9-18-8-11-23(39-17-26(32)33)24(14-18)40(35,36)37/h8,10-12,14-15,19H,3-7,9,13,16-17H2,1-2H3,(H2,29,34)(H,30,31)(H,32,33)(H2,35,36,37)
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n/an/a 3.03E+5n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Yes SH2 domain


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103787
PNG
((4-{2-Acetylamino-2-[(S)-1-(3-carbamoyl-4-cyclohex...)
Show SMILES C[C@H](NC(=O)C(Cc1ccc(OCC(O)=O)cc1)NC(C)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C29H37N3O7/c1-18(22-10-13-26(24(15-22)28(30)36)39-16-21-6-4-3-5-7-21)31-29(37)25(32-19(2)33)14-20-8-11-23(12-9-20)38-17-27(34)35/h8-13,15,18,21,25H,3-7,14,16-17H2,1-2H3,(H2,30,36)(H,31,37)(H,32,33)(H,34,35)/t18-,25?/m0/s1
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n/an/a 3.70E+5n/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 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103785
PNG
(CHEMBL263721 | {4-[2-Acetylamino-2-(3-carbamoyl-4-...)
Show SMILES CC(=O)NC(Cc1ccc(OCC(O)=O)c(c1)P(O)(O)=O)C(=O)NCc1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C28H36N3O10P/c1-17(32)31-22(12-19-7-10-24(41-16-26(33)34)25(13-19)42(37,38)39)28(36)30-14-20-8-9-23(21(11-20)27(29)35)40-15-18-5-3-2-4-6-18/h7-11,13,18,22H,2-6,12,14-16H2,1H3,(H2,29,35)(H,30,36)(H,31,32)(H,33,34)(H2,37,38,39)
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n/an/a 3.78E+5n/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 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50103784
PNG
(CHEMBL77638 | Phosphoric acid mono-(4-{2-acetylami...)
Show SMILES C[C@H](NC(=O)C(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 4.41E+5n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Zap70 protein kinase


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50103783
PNG
(CHEMBL308164 | {4-[2-Acetylamino-2-(3-carbamoyl-4-...)
Show SMILES CC(=O)NC(Cc1ccc(OCC(O)=O)c(c1)P(O)(O)=O)C(=O)Nc1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C27H34N3O10P/c1-16(31)29-21(11-18-7-9-23(40-15-25(32)33)24(12-18)41(36,37)38)27(35)30-19-8-10-22(20(13-19)26(28)34)39-14-17-5-3-2-4-6-17/h7-10,12-13,17,21H,2-6,11,14-15H2,1H3,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)
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ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Zap70 protein kinase


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50103785
PNG
(CHEMBL263721 | {4-[2-Acetylamino-2-(3-carbamoyl-4-...)
Show SMILES CC(=O)NC(Cc1ccc(OCC(O)=O)c(c1)P(O)(O)=O)C(=O)NCc1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C28H36N3O10P/c1-17(32)31-22(12-19-7-10-24(41-16-26(33)34)25(13-19)42(37,38)39)28(36)30-14-20-8-9-23(21(11-20)27(29)35)40-15-18-5-3-2-4-6-18/h7-11,13,18,22H,2-6,12,14-16H2,1H3,(H2,29,35)(H,30,36)(H,31,32)(H,33,34)(H2,37,38,39)
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n/an/a>5.00E+5n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Yes SH2 domain


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103778
PNG
(CHEMBL311114 | [5-{2-[1-(3-Carbamoyl-4-cyclohexylm...)
Show SMILES CC(C)(NC(=O)CCc1ccc(OCn2cnnn2)c(c1)P(O)(O)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C28H37N6O7P/c1-28(2,21-10-12-23(22(15-21)27(29)36)40-16-20-6-4-3-5-7-20)31-26(35)13-9-19-8-11-24(25(14-19)42(37,38)39)41-18-34-17-30-32-33-34/h8,10-12,14-15,17,20H,3-7,9,13,16,18H2,1-2H3,(H2,29,36)(H,31,35)(H2,37,38,39)
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ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Src SH2 domain


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50103788
PNG
((5-{2-[1-(3-Carbamoyl-4-cyclohexylmethoxy-phenyl)-...)
Show SMILES CC(C)(NC(=O)CCc1ccc(O)c(c1)P(O)(O)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C26H35N2O7P/c1-26(2,28-24(30)13-9-17-8-11-21(29)23(14-17)36(32,33)34)19-10-12-22(20(15-19)25(27)31)35-16-18-6-4-3-5-7-18/h8,10-12,14-15,18,29H,3-7,9,13,16H2,1-2H3,(H2,27,31)(H,28,30)(H2,32,33,34)
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ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Yes SH2 domain


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50103782
PNG
((4-{2-Acetylamino-2-[(S)-1-(3-carbamoyl-4-cyclohex...)
Show SMILES C[C@H](NC(=O)C(Cc1ccc(OCC(O)=O)c(c1)P(O)(O)=O)NC(C)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C29H38N3O10P/c1-17(21-9-11-24(22(14-21)28(30)36)41-15-19-6-4-3-5-7-19)31-29(37)23(32-18(2)33)12-20-8-10-25(42-16-27(34)35)26(13-20)43(38,39)40/h8-11,13-14,17,19,23H,3-7,12,15-16H2,1-2H3,(H2,30,36)(H,31,37)(H,32,33)(H,34,35)(H2,38,39,40)/t17-,23?/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Zap70 protein kinase


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50103783
PNG
(CHEMBL308164 | {4-[2-Acetylamino-2-(3-carbamoyl-4-...)
Show SMILES CC(=O)NC(Cc1ccc(OCC(O)=O)c(c1)P(O)(O)=O)C(=O)Nc1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C27H34N3O10P/c1-16(31)29-21(11-18-7-9-23(40-15-25(32)33)24(12-18)41(36,37)38)27(35)30-19-8-10-22(20(13-19)26(28)34)39-14-17-5-3-2-4-6-17/h7-10,12-13,17,21H,2-6,11,14-15H2,1H3,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)
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ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Yes SH2 domain


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103788
PNG
((5-{2-[1-(3-Carbamoyl-4-cyclohexylmethoxy-phenyl)-...)
Show SMILES CC(C)(NC(=O)CCc1ccc(O)c(c1)P(O)(O)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C26H35N2O7P/c1-26(2,28-24(30)13-9-17-8-11-21(29)23(14-17)36(32,33)34)19-10-12-22(20(15-19)25(27)31)35-16-18-6-4-3-5-7-18/h8,10-12,14-15,18,29H,3-7,9,13,16H2,1-2H3,(H2,27,31)(H,28,30)(H2,32,33,34)
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ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Src SH2 domain


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50103788
PNG
((5-{2-[1-(3-Carbamoyl-4-cyclohexylmethoxy-phenyl)-...)
Show SMILES CC(C)(NC(=O)CCc1ccc(O)c(c1)P(O)(O)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C26H35N2O7P/c1-26(2,28-24(30)13-9-17-8-11-21(29)23(14-17)36(32,33)34)19-10-12-22(20(15-19)25(27)31)35-16-18-6-4-3-5-7-18/h8,10-12,14-15,18,29H,3-7,9,13,16H2,1-2H3,(H2,27,31)(H,28,30)(H2,32,33,34)
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ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Zap70 protein kinase


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50103787
PNG
((4-{2-Acetylamino-2-[(S)-1-(3-carbamoyl-4-cyclohex...)
Show SMILES C[C@H](NC(=O)C(Cc1ccc(OCC(O)=O)cc1)NC(C)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C29H37N3O7/c1-18(22-10-13-26(24(15-22)28(30)36)39-16-21-6-4-3-5-7-21)31-29(37)25(32-19(2)33)14-20-8-11-23(12-9-20)38-17-27(34)35/h8-13,15,18,21,25H,3-7,14,16-17H2,1-2H3,(H2,30,36)(H,31,37)(H,32,33)(H,34,35)/t18-,25?/m0/s1
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ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Yes SH2 domain


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50103781
PNG
((4-{2-Acetylamino-2-[1-(3-carbamoyl-4-cyclohexylme...)
Show SMILES CC(=O)NC(Cc1ccc(OCC(O)=O)c(c1)P(O)(O)=O)C(=O)NC(C)(C)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C30H40N3O10P/c1-18(34)32-23(13-20-9-11-25(43-17-27(35)36)26(14-20)44(39,40)41)29(38)33-30(2,3)21-10-12-24(22(15-21)28(31)37)42-16-19-7-5-4-6-8-19/h9-12,14-15,19,23H,4-8,13,16-17H2,1-3H3,(H2,31,37)(H,32,34)(H,33,38)(H,35,36)(H2,39,40,41)
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ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Zap70 protein kinase


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50103786
PNG
((4-{2-[1-(3-Carbamoyl-4-cyclohexylmethoxy-phenyl)-...)
Show SMILES CC(C)(NC(=O)CCc1ccc(OCC(O)=O)c(c1)P(O)(O)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C28H37N2O9P/c1-28(2,20-10-12-22(21(15-20)27(29)34)38-16-19-6-4-3-5-7-19)30-25(31)13-9-18-8-11-23(39-17-26(32)33)24(14-18)40(35,36)37/h8,10-12,14-15,19H,3-7,9,13,16-17H2,1-2H3,(H2,29,34)(H,30,31)(H,32,33)(H2,35,36,37)
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ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Zap70 protein kinase


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50103785
PNG
(CHEMBL263721 | {4-[2-Acetylamino-2-(3-carbamoyl-4-...)
Show SMILES CC(=O)NC(Cc1ccc(OCC(O)=O)c(c1)P(O)(O)=O)C(=O)NCc1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C28H36N3O10P/c1-17(32)31-22(12-19-7-10-24(41-16-26(33)34)25(13-19)42(37,38)39)28(36)30-14-20-8-9-23(21(11-20)27(29)35)40-15-18-5-3-2-4-6-18/h7-11,13,18,22H,2-6,12,14-16H2,1H3,(H2,29,35)(H,30,36)(H,31,32)(H,33,34)(H2,37,38,39)
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ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Zap70 protein kinase


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103783
PNG
(CHEMBL308164 | {4-[2-Acetylamino-2-(3-carbamoyl-4-...)
Show SMILES CC(=O)NC(Cc1ccc(OCC(O)=O)c(c1)P(O)(O)=O)C(=O)Nc1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C27H34N3O10P/c1-16(31)29-21(11-18-7-9-23(40-15-25(32)33)24(12-18)41(36,37)38)27(35)30-19-8-10-22(20(13-19)26(28)34)39-14-17-5-3-2-4-6-17/h7-10,12-13,17,21H,2-6,11,14-15H2,1H3,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)
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ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Src SH2 domain


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50103779
PNG
(CHEMBL430825 | Trifluoro-methanesulfonic acid 4-{2...)
Show SMILES CC(C)(NC(=O)CCc1ccc(OS(=O)(=O)C(F)(F)F)c(c1)P(O)(O)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C27H34F3N2O9PS/c1-26(2,19-10-12-21(20(15-19)25(31)34)40-16-18-6-4-3-5-7-18)32-24(33)13-9-17-8-11-22(23(14-17)42(35,36)37)41-43(38,39)27(28,29)30/h8,10-12,14-15,18H,3-7,9,13,16H2,1-2H3,(H2,31,34)(H,32,33)(H2,35,36,37)
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ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Zap70 protein kinase


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103779
PNG
(CHEMBL430825 | Trifluoro-methanesulfonic acid 4-{2...)
Show SMILES CC(C)(NC(=O)CCc1ccc(OS(=O)(=O)C(F)(F)F)c(c1)P(O)(O)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C27H34F3N2O9PS/c1-26(2,19-10-12-21(20(15-19)25(31)34)40-16-18-6-4-3-5-7-18)32-24(33)13-9-17-8-11-22(23(14-17)42(35,36)37)41-43(38,39)27(28,29)30/h8,10-12,14-15,18H,3-7,9,13,16H2,1-2H3,(H2,31,34)(H,32,33)(H2,35,36,37)
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ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Src SH2 domain


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50103780
PNG
(CHEMBL308734 | [4-{2-Acetylamino-2-[(S)-1-(3-carba...)
Show SMILES CCOP(O)(=O)c1cc(CC(NC(C)=O)C(=O)N[C@@H](C)c2ccc(OCC3CCCCC3)c(c2)C(N)=O)ccc1OCC(O)=O
Show InChI InChI=1S/C31H42N3O10P/c1-4-44-45(40,41)28-15-22(10-12-27(28)43-18-29(36)37)14-25(34-20(3)35)31(39)33-19(2)23-11-13-26(24(16-23)30(32)38)42-17-21-8-6-5-7-9-21/h10-13,15-16,19,21,25H,4-9,14,17-18H2,1-3H3,(H2,32,38)(H,33,39)(H,34,35)(H,36,37)(H,40,41)/t19-,25?/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Zap70 protein kinase


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50103779
PNG
(CHEMBL430825 | Trifluoro-methanesulfonic acid 4-{2...)
Show SMILES CC(C)(NC(=O)CCc1ccc(OS(=O)(=O)C(F)(F)F)c(c1)P(O)(O)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C27H34F3N2O9PS/c1-26(2,19-10-12-21(20(15-19)25(31)34)40-16-18-6-4-3-5-7-18)32-24(33)13-9-17-8-11-22(23(14-17)42(35,36)37)41-43(38,39)27(28,29)30/h8,10-12,14-15,18H,3-7,9,13,16H2,1-2H3,(H2,31,34)(H,32,33)(H2,35,36,37)
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ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Yes SH2 domain


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50103778
PNG
(CHEMBL311114 | [5-{2-[1-(3-Carbamoyl-4-cyclohexylm...)
Show SMILES CC(C)(NC(=O)CCc1ccc(OCn2cnnn2)c(c1)P(O)(O)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C28H37N6O7P/c1-28(2,21-10-12-23(22(15-21)27(29)36)40-16-20-6-4-3-5-7-20)31-26(35)13-9-19-8-11-24(25(14-19)42(37,38)39)41-18-34-17-30-32-33-34/h8,10-12,14-15,17,20H,3-7,9,13,16,18H2,1-2H3,(H2,29,36)(H,31,35)(H2,37,38,39)
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ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Yes SH2 domain


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50103778
PNG
(CHEMBL311114 | [5-{2-[1-(3-Carbamoyl-4-cyclohexylm...)
Show SMILES CC(C)(NC(=O)CCc1ccc(OCn2cnnn2)c(c1)P(O)(O)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C28H37N6O7P/c1-28(2,21-10-12-23(22(15-21)27(29)36)40-16-20-6-4-3-5-7-20)31-26(35)13-9-19-8-11-24(25(14-19)42(37,38)39)41-18-34-17-30-32-33-34/h8,10-12,14-15,17,20H,3-7,9,13,16,18H2,1-2H3,(H2,29,36)(H,31,35)(H2,37,38,39)
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ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Zap70 protein kinase


Bioorg Med Chem Lett 11: 2319-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00446-2
BindingDB Entry DOI: 10.7270/Q2513XHJ
More data for this
Ligand-Target Pair