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PubMed code 10571147

Compile data set for download or QSAR
Found 7 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))		BDBM50082257
PNG
(CHEMBL3142740 | Phosphoric acid mono-(4-{acetylami...)
Show SMILES CC(=O)N[C@H](C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(N)=O)c1ccc(OP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C21H30N5O9P/c1-12(27)24-17(13-5-7-14(8-6-13)35-36(32,33)34)19(30)26-21(9-3-2-4-10-21)20(31)25-15(18(23)29)11-16(22)28/h5-8,15,17H,2-4,9-11H2,1H3,(H2,22,28)(H2,23,29)(H,24,27)(H,25,31)(H,26,30)(H2,32,33,34)
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n/an/a 210n/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

Bioorg Med Chem Lett 9: 2915-20 (1999)


BindingDB Entry DOI: 10.7270/Q2C24VN3
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50082255
PNG
(CHEMBL3142743 | Phosphoric acid mono-(4-{acetylami...)
Show SMILES CC(=O)N[C@H](C(=O)NC1(CCCCCC1)C(=O)N[C@@H](CC(N)=O)C(N)=O)c1ccc(OP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C22H32N5O9P/c1-13(28)25-18(14-6-8-15(9-7-14)36-37(33,34)35)20(31)27-22(10-4-2-3-5-11-22)21(32)26-16(19(24)30)12-17(23)29/h6-9,16,18H,2-5,10-12H2,1H3,(H2,23,29)(H2,24,30)(H,25,28)(H,26,32)(H,27,31)(H2,33,34,35)
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n/an/a 1.11E+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

Bioorg Med Chem Lett 9: 2915-20 (1999)


BindingDB Entry DOI: 10.7270/Q2C24VN3
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50082260
PNG
(CHEMBL2370322 | Phosphoric acid mono-(4-{acetylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(C)=O)c1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C19H28N5O9P/c1-9(2)15(18(28)23-13(17(21)27)8-14(20)26)24-19(29)16(22-10(3)25)11-4-6-12(7-5-11)33-34(30,31)32/h4-7,9,13,15-16H,8H2,1-3H3,(H2,20,26)(H2,21,27)(H,22,25)(H,23,28)(H,24,29)(H2,30,31,32)/t13-,15-,16-/m0/s1
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n/an/a 4.30E+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

Bioorg Med Chem Lett 9: 2915-20 (1999)


BindingDB Entry DOI: 10.7270/Q2C24VN3
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50082256
PNG
(CHEMBL3142742 | Phosphoric acid mono-(4-{acetylami...)
Show SMILES CC(=O)N[C@H](C(=O)NC1(CCCC1)C(=O)N[C@@H](CC(N)=O)C(N)=O)c1ccc(OP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C20H28N5O9P/c1-11(26)23-16(12-4-6-13(7-5-12)34-35(31,32)33)18(29)25-20(8-2-3-9-20)19(30)24-14(17(22)28)10-15(21)27/h4-7,14,16H,2-3,8-10H2,1H3,(H2,21,27)(H2,22,28)(H,23,26)(H,24,30)(H,25,29)(H2,31,32,33)
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n/an/a 7.90E+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

Bioorg Med Chem Lett 9: 2915-20 (1999)


BindingDB Entry DOI: 10.7270/Q2C24VN3
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50082258
PNG
(CHEMBL2370326 | Phosphoric acid mono-(4-{acetylami...)
Show SMILES CC(=O)N[C@H](C(=O)NC1(CCC1)C(=O)N[C@@H](CC(N)=O)C(N)=O)c1ccc(OP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C19H26N5O9P/c1-10(25)22-15(11-3-5-12(6-4-11)33-34(30,31)32)17(28)24-19(7-2-8-19)18(29)23-13(16(21)27)9-14(20)26/h3-6,13,15H,2,7-9H2,1H3,(H2,20,26)(H2,21,27)(H,22,25)(H,23,29)(H,24,28)(H2,30,31,32)/t13-,15-/m0/s1
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n/an/a 1.82E+4n/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

Bioorg Med Chem Lett 9: 2915-20 (1999)


BindingDB Entry DOI: 10.7270/Q2C24VN3
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50082259
PNG
(CHEMBL2370323 | Phosphoric acid mono-[4-(acetylami...)
Show SMILES CC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(N)=O)C(N)=O)c1ccc(OP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C16H22N5O9P/c1-8(22)20-14(9-2-4-10(5-3-9)30-31(27,28)29)16(26)19-7-13(24)21-11(15(18)25)6-12(17)23/h2-5,11,14H,6-7H2,1H3,(H2,17,23)(H2,18,25)(H,19,26)(H,20,22)(H,21,24)(H2,27,28,29)/t11-,14-/m0/s1
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n/an/a 6.70E+4n/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

Bioorg Med Chem Lett 9: 2915-20 (1999)


BindingDB Entry DOI: 10.7270/Q2C24VN3
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50082254
PNG
(CHEMBL2370321 | Phosphoric acid mono-(4-{acetylami...)
Show SMILES CC(=O)N[C@H](C(=O)NC1(CC1)C(=O)N[C@@H](CC(N)=O)C(N)=O)c1ccc(OP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C18H24N5O9P/c1-9(24)21-14(10-2-4-11(5-3-10)32-33(29,30)31)16(27)23-18(6-7-18)17(28)22-12(15(20)26)8-13(19)25/h2-5,12,14H,6-8H2,1H3,(H2,19,25)(H2,20,26)(H,21,24)(H,22,28)(H,23,27)(H2,29,30,31)/t12-,14-/m0/s1
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n/an/a 7.25E+4n/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

Bioorg Med Chem Lett 9: 2915-20 (1999)


BindingDB Entry DOI: 10.7270/Q2C24VN3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%