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PubMed code 10021933

Compile data set for download or QSAR
Found 11 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))		BDBM50073913
PNG
(CHEMBL73003 | {4-[(S)-2-Acetylamino-2-(1-{(S)-2-ca...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCn1ccc2cc(O)ccc12
Show InChI InChI=1S/C34H45N6O9P/c1-22(41)37-27(18-23-6-8-24(9-7-23)21-50(47,48)49)32(45)39-34(13-3-2-4-14-34)33(46)38-28(20-30(35)43)31(44)36-15-5-16-40-17-12-25-19-26(42)10-11-29(25)40/h6-12,17,19,27-28,42H,2-5,13-16,18,20-21H2,1H3,(H2,35,43)(H,36,44)(H,37,41)(H,38,46)(H,39,45)(H2,47,48,49)/t27-,28-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb-SH2 domain binding to phosphorylated carboxy-terminal intracellular domain of epidermal growth factor receptor

Bioorg Med Chem Lett 9: 221-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N58KJG
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50073909
PNG
(CHEMBL72036 | {4-[(S)-2-Acetylamino-2-(1-{(S)-2-ca...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCn1ccc2cc(C)ccc12
Show InChI InChI=1S/C35H47N6O8P/c1-23-7-12-30-27(19-23)13-18-41(30)17-6-16-37-32(44)29(21-31(36)43)39-34(46)35(14-4-3-5-15-35)40-33(45)28(38-24(2)42)20-25-8-10-26(11-9-25)22-50(47,48)49/h7-13,18-19,28-29H,3-6,14-17,20-22H2,1-2H3,(H2,36,43)(H,37,44)(H,38,42)(H,39,46)(H,40,45)(H2,47,48,49)/t28-,29-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb-SH2 domain binding to phosphorylated carboxy-terminal intracellular domain of epidermal growth factor receptor

Bioorg Med Chem Lett 9: 221-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N58KJG
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50073917
PNG
(CHEMBL72694 | {4-[(S)-2-Acetylamino-2-(1-{(S)-2-ca...)
Show SMILES COc1ccc2n(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C3(CCCCC3)NC(=O)[C@H](Cc3ccc(CP(O)(O)=O)cc3)NC(C)=O)ccc2c1
Show InChI InChI=1S/C35H47N6O9P/c1-23(42)38-28(19-24-7-9-25(10-8-24)22-51(47,48)49)33(45)40-35(14-4-3-5-15-35)34(46)39-29(21-31(36)43)32(44)37-16-6-17-41-18-13-26-20-27(50-2)11-12-30(26)41/h7-13,18,20,28-29H,3-6,14-17,19,21-22H2,1-2H3,(H2,36,43)(H,37,44)(H,38,42)(H,39,46)(H,40,45)(H2,47,48,49)/t28-,29-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb-SH2 domain binding to phosphorylated carboxy-terminal intracellular domain of epidermal growth factor receptor

Bioorg Med Chem Lett 9: 221-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N58KJG
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50073918
PNG
(CHEMBL431982 | [4-((S)-2-Acetylamino-2-{1-[(S)-2-c...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCn1ccc2ccccc12
Show InChI InChI=1S/C34H45N6O8P/c1-23(41)37-27(20-24-10-12-25(13-11-24)22-49(46,47)48)32(44)39-34(15-5-2-6-16-34)33(45)38-28(21-30(35)42)31(43)36-17-7-18-40-19-14-26-8-3-4-9-29(26)40/h3-4,8-14,19,27-28H,2,5-7,15-18,20-22H2,1H3,(H2,35,42)(H,36,43)(H,37,41)(H,38,45)(H,39,44)(H2,46,47,48)/t27-,28-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb-SH2 domain binding to phosphorylated carboxy-terminal intracellular domain of epidermal growth factor receptor

Bioorg Med Chem Lett 9: 221-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N58KJG
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50073911
PNG
(CHEMBL72525 | {4-[(S)-2-Acetylamino-2-(1-{(S)-2-ca...)
Show SMILES CN(C)c1ccc2n(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C3(CCCCC3)NC(=O)[C@H](Cc3ccc(CP(O)(O)=O)cc3)NC(C)=O)ccc2c1
Show InChI InChI=1S/C36H50N7O8P/c1-24(44)39-29(20-25-8-10-26(11-9-25)23-52(49,50)51)34(47)41-36(15-5-4-6-16-36)35(48)40-30(22-32(37)45)33(46)38-17-7-18-43-19-14-27-21-28(42(2)3)12-13-31(27)43/h8-14,19,21,29-30H,4-7,15-18,20,22-23H2,1-3H3,(H2,37,45)(H,38,46)(H,39,44)(H,40,48)(H,41,47)(H2,49,50,51)/t29-,30-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb-SH2 domain binding to phosphorylated carboxy-terminal intracellular domain of epidermal growth factor receptor

Bioorg Med Chem Lett 9: 221-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N58KJG
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50073912
PNG
(CHEMBL72996 | {4-[(S)-2-Acetylamino-2-(1-{(S)-2-ca...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc1cn(C)c2ccccc12
Show InChI InChI=1S/C35H47N6O8P/c1-23(42)38-28(19-24-12-14-25(15-13-24)22-50(47,48)49)33(45)40-35(16-6-3-7-17-35)34(46)39-29(20-31(36)43)32(44)37-18-8-9-26-21-41(2)30-11-5-4-10-27(26)30/h4-5,10-15,21,28-29H,3,6-9,16-20,22H2,1-2H3,(H2,36,43)(H,37,44)(H,38,42)(H,39,46)(H,40,45)(H2,47,48,49)/t28-,29-/m0/s1
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n/an/a 9.20n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb-SH2 domain binding to phosphorylated carboxy-terminal intracellular domain of epidermal growth factor receptor

Bioorg Med Chem Lett 9: 221-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N58KJG
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50073908
PNG
(CHEMBL70852 | {4-[(S)-2-Acetylamino-2-(1-{(S)-2-ca...)
Show SMILES COc1ccc2c(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C3(CCCCC3)NC(=O)[C@H](Cc3ccc(CP(O)(O)=O)cc3)NC(C)=O)c[nH]c2c1
Show InChI InChI=1S/C35H47N6O9P/c1-22(42)39-29(17-23-8-10-24(11-9-23)21-51(47,48)49)33(45)41-35(14-4-3-5-15-35)34(46)40-30(19-31(36)43)32(44)37-16-6-7-25-20-38-28-18-26(50-2)12-13-27(25)28/h8-13,18,20,29-30,38H,3-7,14-17,19,21H2,1-2H3,(H2,36,43)(H,37,44)(H,39,42)(H,40,46)(H,41,45)(H2,47,48,49)/t29-,30-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb-SH2 domain binding to phosphorylated carboxy-terminal intracellular domain of epidermal growth factor receptor

Bioorg Med Chem Lett 9: 221-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N58KJG
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50073916
PNG
(CHEMBL72437 | {4-[(S)-2-Acetylamino-2-(1-{(S)-2-ca...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCn1c(C)cc2ccccc12
Show InChI InChI=1S/C35H47N6O8P/c1-23-19-27-9-4-5-10-30(27)41(23)18-8-17-37-32(44)29(21-31(36)43)39-34(46)35(15-6-3-7-16-35)40-33(45)28(38-24(2)42)20-25-11-13-26(14-12-25)22-50(47,48)49/h4-5,9-14,19,28-29H,3,6-8,15-18,20-22H2,1-2H3,(H2,36,43)(H,37,44)(H,38,42)(H,39,46)(H,40,45)(H2,47,48,49)/t28-,29-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb-SH2 domain binding to phosphorylated carboxy-terminal intracellular domain of epidermal growth factor receptor

Bioorg Med Chem Lett 9: 221-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N58KJG
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50073910
PNG
(CHEMBL431381 | {4-[(S)-2-Acetylamino-2-(1-{(S)-2-c...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCn1ccc2cc(Cl)ccc12
Show InChI InChI=1S/C34H44ClN6O8P/c1-22(42)38-27(18-23-6-8-24(9-7-23)21-50(47,48)49)32(45)40-34(13-3-2-4-14-34)33(46)39-28(20-30(36)43)31(44)37-15-5-16-41-17-12-25-19-26(35)10-11-29(25)41/h6-12,17,19,27-28H,2-5,13-16,18,20-21H2,1H3,(H2,36,43)(H,37,44)(H,38,42)(H,39,46)(H,40,45)(H2,47,48,49)/t27-,28-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb-SH2 domain binding to phosphorylated carboxy-terminal intracellular domain of epidermal growth factor receptor

Bioorg Med Chem Lett 9: 221-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N58KJG
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50073915
PNG
(CHEMBL72114 | {4-[(S)-2-Acetylamino-2-(1-{(S)-2-ca...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCn1cc(C)c2ccccc12
Show InChI InChI=1S/C35H47N6O8P/c1-23-21-41(30-10-5-4-9-27(23)30)18-8-17-37-32(44)29(20-31(36)43)39-34(46)35(15-6-3-7-16-35)40-33(45)28(38-24(2)42)19-25-11-13-26(14-12-25)22-50(47,48)49/h4-5,9-14,21,28-29H,3,6-8,15-20,22H2,1-2H3,(H2,36,43)(H,37,44)(H,38,42)(H,39,46)(H,40,45)(H2,47,48,49)/t28-,29-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb-SH2 domain binding to phosphorylated carboxy-terminal intracellular domain of epidermal growth factor receptor

Bioorg Med Chem Lett 9: 221-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N58KJG
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50073914
PNG
(CHEMBL71034 | {4-[(S)-2-Acetylamino-2-(1-{(S)-2-ca...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C34H45N6O8P/c1-22(41)38-28(18-23-11-13-24(14-12-23)21-49(46,47)48)32(44)40-34(15-5-2-6-16-34)33(45)39-29(19-30(35)42)31(43)36-17-7-8-25-20-37-27-10-4-3-9-26(25)27/h3-4,9-14,20,28-29,37H,2,5-8,15-19,21H2,1H3,(H2,35,42)(H,36,43)(H,38,41)(H,39,45)(H,40,44)(H2,46,47,48)/t28-,29-/m0/s1
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n/an/a 155n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb-SH2 domain binding to phosphorylated carboxy-terminal intracellular domain of epidermal growth factor receptor

Bioorg Med Chem Lett 9: 221-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N58KJG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%