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PubMed code 9719597

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50066510
PNG
(2-{10-Amino-11-[4-(diacetoxy-phosphoryloxy)-phenyl...)
Show SMILES CC(=O)OP(=O)(OC(C)=O)Oc1ccc(CC(N)C(=O)CC(=O)CCCCCCNC(CC(=O)NCCCc2cccc3ccccc23)C(O)=O)cc1
Show InChI InChI=1S/C38H48N3O11P/c1-26(42)50-53(49,51-27(2)43)52-32-19-17-28(18-20-32)23-34(39)36(45)24-31(44)15-5-3-4-8-21-40-35(38(47)48)25-37(46)41-22-10-14-30-13-9-12-29-11-6-7-16-33(29)30/h6-7,9,11-13,16-20,34-35,40H,3-5,8,10,14-15,21-25,39H2,1-2H3,(H,41,46)(H,47,48)
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n/an/a 47n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain

J Med Chem 41: 3442-9 (1998)


Article DOI: 10.1021/jm980159a
BindingDB Entry DOI: 10.7270/Q23R0S0N
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50066510
PNG
(2-{10-Amino-11-[4-(diacetoxy-phosphoryloxy)-phenyl...)
Show SMILES CC(=O)OP(=O)(OC(C)=O)Oc1ccc(CC(N)C(=O)CC(=O)CCCCCCNC(CC(=O)NCCCc2cccc3ccccc23)C(O)=O)cc1
Show InChI InChI=1S/C38H48N3O11P/c1-26(42)50-53(49,51-27(2)43)52-32-19-17-28(18-20-32)23-34(39)36(45)24-31(44)15-5-3-4-8-21-40-35(38(47)48)25-37(46)41-22-10-14-30-13-9-12-29-11-6-7-16-33(29)30/h6-7,9,11-13,16-20,34-35,40H,3-5,8,10,14-15,21-25,39H2,1-2H3,(H,41,46)(H,47,48)
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n/an/a 64n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb2 SH2 domain binding to biotinylated phosphopeptide

J Med Chem 41: 3442-9 (1998)


Article DOI: 10.1021/jm980159a
BindingDB Entry DOI: 10.7270/Q23R0S0N
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50066509
PNG
(2-(2-{2-Amino-3-[4-(diacetoxy-phosphoryloxy)-pheny...)
Show SMILES CCCCC(NC(=O)C(N)Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)C(=O)NC(CC(=O)NCCCc1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C36H45N4O11P/c1-4-5-15-31(39-34(44)30(37)21-25-16-18-28(19-17-25)51-52(48,49-23(2)41)50-24(3)42)35(45)40-32(36(46)47)22-33(43)38-20-9-13-27-12-8-11-26-10-6-7-14-29(26)27/h6-8,10-12,14,16-19,30-32H,4-5,9,13,15,20-22,37H2,1-3H3,(H,38,43)(H,39,44)(H,40,45)(H,46,47)
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n/an/a 330n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain

J Med Chem 41: 3442-9 (1998)


Article DOI: 10.1021/jm980159a
BindingDB Entry DOI: 10.7270/Q23R0S0N
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50066509
PNG
(2-(2-{2-Amino-3-[4-(diacetoxy-phosphoryloxy)-pheny...)
Show SMILES CCCCC(NC(=O)C(N)Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)C(=O)NC(CC(=O)NCCCc1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C36H45N4O11P/c1-4-5-15-31(39-34(44)30(37)21-25-16-18-28(19-17-25)51-52(48,49-23(2)41)50-24(3)42)35(45)40-32(36(46)47)22-33(43)38-20-9-13-27-12-8-11-26-10-6-7-14-29(26)27/h6-8,10-12,14,16-19,30-32H,4-5,9,13,15,20-22,37H2,1-3H3,(H,38,43)(H,39,44)(H,40,45)(H,46,47)
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n/an/a 580n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb2 SH2 domain binding to biotinylated phosphopeptide

J Med Chem 41: 3442-9 (1998)


Article DOI: 10.1021/jm980159a
BindingDB Entry DOI: 10.7270/Q23R0S0N
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50066513
PNG
(2-(2-{2-Amino-3-[4-(diacetoxy-phosphoryloxy)-pheny...)
Show SMILES CCCCC(NC(=O)C(N)Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)C(=O)NC(CC(=O)NCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C32H41Cl2N4O11P/c1-4-5-8-27(31(43)38-28(32(44)45)18-29(41)36-15-6-7-22-11-12-23(33)17-25(22)34)37-30(42)26(35)16-21-9-13-24(14-10-21)49-50(46,47-19(2)39)48-20(3)40/h9-14,17,26-28H,4-8,15-16,18,35H2,1-3H3,(H,36,41)(H,37,42)(H,38,43)(H,44,45)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain

J Med Chem 41: 3442-9 (1998)


Article DOI: 10.1021/jm980159a
BindingDB Entry DOI: 10.7270/Q23R0S0N
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50066512
PNG
(2-(2-{2-Amino-3-[4-(diacetoxy-phosphoryloxy)-pheny...)
Show SMILES CCCCC(CC)CNC(=O)CC(NC(=O)C(CCCC)NC(=O)C(N)Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)C(O)=O
Show InChI InChI=1S/C31H49N4O11P/c1-6-9-11-22(8-3)19-33-28(38)18-27(31(41)42)35-30(40)26(12-10-7-2)34-29(39)25(32)17-23-13-15-24(16-14-23)46-47(43,44-20(4)36)45-21(5)37/h13-16,22,25-27H,6-12,17-19,32H2,1-5H3,(H,33,38)(H,34,39)(H,35,40)(H,41,42)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain

J Med Chem 41: 3442-9 (1998)


Article DOI: 10.1021/jm980159a
BindingDB Entry DOI: 10.7270/Q23R0S0N
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50066515
PNG
(2-(2-{2-Amino-3-[4-(diacetoxy-phosphoryloxy)-pheny...)
Show SMILES CCCCC(NC(=O)C(N)Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)C(=O)NC(CC(=O)NCCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C32H43N4O11P/c1-4-5-13-27(31(41)36-28(32(42)43)20-29(39)34-18-9-12-23-10-7-6-8-11-23)35-30(40)26(33)19-24-14-16-25(17-15-24)47-48(44,45-21(2)37)46-22(3)38/h6-8,10-11,14-17,26-28H,4-5,9,12-13,18-20,33H2,1-3H3,(H,34,39)(H,35,40)(H,36,41)(H,42,43)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain

J Med Chem 41: 3442-9 (1998)


Article DOI: 10.1021/jm980159a
BindingDB Entry DOI: 10.7270/Q23R0S0N
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50066514
PNG
(2-(2-{2-Amino-3-[4-(diacetoxy-phosphoryloxy)-pheny...)
Show SMILES CCCCC(NC(=O)C(N)Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)C(=O)NC(CC(=O)NCCC(C)C)C(O)=O
Show InChI InChI=1S/C28H43N4O11P/c1-6-7-8-23(27(37)32-24(28(38)39)16-25(35)30-14-13-17(2)3)31-26(36)22(29)15-20-9-11-21(12-10-20)43-44(40,41-18(4)33)42-19(5)34/h9-12,17,22-24H,6-8,13-16,29H2,1-5H3,(H,30,35)(H,31,36)(H,32,37)(H,38,39)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain

J Med Chem 41: 3442-9 (1998)


Article DOI: 10.1021/jm980159a
BindingDB Entry DOI: 10.7270/Q23R0S0N
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50066511
PNG
(2-(2-{2-Amino-3-[4-(diacetoxy-phosphoryloxy)-pheny...)
Show SMILES CCCCC(NC(=O)C(N)Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)C(=O)NC(CC(=O)NCC(C)C)C(O)=O
Show InChI InChI=1S/C27H41N4O11P/c1-6-7-8-22(26(36)31-23(27(37)38)14-24(34)29-15-16(2)3)30-25(35)21(28)13-19-9-11-20(12-10-19)42-43(39,40-17(4)32)41-18(5)33/h9-12,16,21-23H,6-8,13-15,28H2,1-5H3,(H,29,34)(H,30,35)(H,31,36)(H,37,38)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain

J Med Chem 41: 3442-9 (1998)


Article DOI: 10.1021/jm980159a
BindingDB Entry DOI: 10.7270/Q23R0S0N
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50066508
PNG
(2-(2-{2-Amino-3-[4-(diacetoxy-phosphoryloxy)-pheny...)
Show SMILES CCCCC(NC(=O)C(N)Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C23H33N4O11P/c1-4-5-6-18(22(32)27-19(23(33)34)12-20(25)30)26-21(31)17(24)11-15-7-9-16(10-8-15)38-39(35,36-13(2)28)37-14(3)29/h7-10,17-19H,4-6,11-12,24H2,1-3H3,(H2,25,30)(H,26,31)(H,27,32)(H,33,34)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain

J Med Chem 41: 3442-9 (1998)


Article DOI: 10.1021/jm980159a
BindingDB Entry DOI: 10.7270/Q23R0S0N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50066510
PNG
(2-{10-Amino-11-[4-(diacetoxy-phosphoryloxy)-phenyl...)
Show SMILES CC(=O)OP(=O)(OC(C)=O)Oc1ccc(CC(N)C(=O)CC(=O)CCCCCCNC(CC(=O)NCCCc2cccc3ccccc23)C(O)=O)cc1
Show InChI InChI=1S/C38H48N3O11P/c1-26(42)50-53(49,51-27(2)43)52-32-19-17-28(18-20-32)23-34(39)36(45)24-31(44)15-5-3-4-8-21-40-35(38(47)48)25-37(46)41-22-10-14-30-13-9-12-29-11-6-7-16-33(29)30/h6-7,9,11-13,16-20,34-35,40H,3-5,8,10,14-15,21-25,39H2,1-2H3,(H,41,46)(H,47,48)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of p56lck SH2 domain binding to biotinylated phosphopeptide

J Med Chem 41: 3442-9 (1998)


Article DOI: 10.1021/jm980159a
BindingDB Entry DOI: 10.7270/Q23R0S0N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50066509
PNG
(2-(2-{2-Amino-3-[4-(diacetoxy-phosphoryloxy)-pheny...)
Show SMILES CCCCC(NC(=O)C(N)Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)C(=O)NC(CC(=O)NCCCc1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C36H45N4O11P/c1-4-5-15-31(39-34(44)30(37)21-25-16-18-28(19-17-25)51-52(48,49-23(2)41)50-24(3)42)35(45)40-32(36(46)47)22-33(43)38-20-9-13-27-12-8-11-26-10-6-7-14-29(26)27/h6-8,10-12,14,16-19,30-32H,4-5,9,13,15,20-22,37H2,1-3H3,(H,38,43)(H,39,44)(H,40,45)(H,46,47)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of p56lck SH2 domain binding to biotinylated phosphopeptide

J Med Chem 41: 3442-9 (1998)


Article DOI: 10.1021/jm980159a
BindingDB Entry DOI: 10.7270/Q23R0S0N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%