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PubMed code 11055351

Compile data set for download or QSAR
Found 6 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))		BDBM50093126
PNG
((4-{(S)-2-Acetylamino-2-[1-((1R,2S)-2-carbamoyl-cy...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(O)C(=O)c2ccccc2)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O
Show InChI InChI=1S/C33H45N4O7P/c1-22(38)35-28(20-23-14-16-24(17-15-23)21-45(43,44)31(41)25-10-4-2-5-11-25)30(40)37-33(18-8-3-9-19-33)32(42)36-27-13-7-6-12-26(27)29(34)39/h2,4-5,10-11,14-17,26-28,43-45H,3,6-9,12-13,18-21H2,1H3,(H2,34,39)(H,35,38)(H,36,42)(H,37,40)/t26-,27+,28-/m0/s1
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n/an/a 530n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


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

Bioorg Med Chem Lett 10: 2337-41 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2VDQ
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50093125
PNG
((4-{(S)-2-Acetylamino-2-[1-((1R,2S)-2-carbamoyl-cy...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O
Show InChI InChI=1S/C26H39N4O7P/c1-17(31)28-22(15-18-9-11-19(12-10-18)16-38(35,36)37)24(33)30-26(13-5-2-6-14-26)25(34)29-21-8-4-3-7-20(21)23(27)32/h9-12,20-22H,2-8,13-16H2,1H3,(H2,27,32)(H,28,31)(H,29,34)(H,30,33)(H2,35,36,37)/t20-,21+,22-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


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

Bioorg Med Chem Lett 10: 2337-41 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2VDQ
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50093127
PNG
((4-{(S)-2-Acetylamino-2-[1-((1R,2S)-2-carbamoyl-cy...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(=O)Cc2ccccc2)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O
Show InChI InChI=1S/C33H45N4O6P/c1-23(38)35-29(20-24-14-16-26(17-15-24)22-44(42,43)21-25-10-4-2-5-11-25)31(40)37-33(18-8-3-9-19-33)32(41)36-28-13-7-6-12-27(28)30(34)39/h2,4-5,10-11,14-17,27-29H,3,6-9,12-13,18-22H2,1H3,(H2,34,39)(H,35,38)(H,36,41)(H,37,40)(H,42,43)/t27-,28+,29-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


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

Bioorg Med Chem Lett 10: 2337-41 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2VDQ
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50093129
PNG
((4-{(S)-2-Acetylamino-2-[1-((1R,2S)-2-carbamoyl-cy...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(O)CC=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O
Show InChI InChI=1S/C28H43N4O7P/c1-19(34)30-24(17-20-9-11-21(12-10-20)18-40(38,39)16-15-33)26(36)32-28(13-5-2-6-14-28)27(37)31-23-8-4-3-7-22(23)25(29)35/h9-12,15,22-24,38-40H,2-8,13-14,16-18H2,1H3,(H2,29,35)(H,30,34)(H,31,37)(H,32,36)/t22-,23+,24-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


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

Bioorg Med Chem Lett 10: 2337-41 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2VDQ
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50093128
PNG
((4-{(S)-2-Acetylamino-2-[1-((1R,2S)-2-carbamoyl-cy...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(O)C=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O
Show InChI InChI=1S/C27H41N4O7P/c1-18(33)29-23(15-19-9-11-20(12-10-19)16-39(37,38)17-32)25(35)31-27(13-5-2-6-14-27)26(36)30-22-8-4-3-7-21(22)24(28)34/h9-12,17,21-23,37-39H,2-8,13-16H2,1H3,(H2,28,34)(H,29,33)(H,30,36)(H,31,35)/t21-,22+,23-/m0/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


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

Bioorg Med Chem Lett 10: 2337-41 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2VDQ
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50093130
PNG
((4-{(S)-2-Acetylamino-2-[1-((1R,2S)-2-carbamoyl-cy...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(C)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O
Show InChI InChI=1S/C27H41N4O6P/c1-18(32)29-23(16-19-10-12-20(13-11-19)17-38(2,36)37)25(34)31-27(14-6-3-7-15-27)26(35)30-22-9-5-4-8-21(22)24(28)33/h10-13,21-23H,3-9,14-17H2,1-2H3,(H2,28,33)(H,29,32)(H,30,35)(H,31,34)(H,36,37)/t21-,22+,23-/m0/s1
PDB
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UniProtKB/SwissProt

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n/an/a 2.55E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


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

Bioorg Med Chem Lett 10: 2337-41 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2VDQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%