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PubMed code 17371004

Compile data set for download or QSAR
Found 10 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))		BDBM50208566
PNG
((R)-4-(4-(((S)-4-amino-1-(3-(naphthalen-2-yl)propy...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCN(CC1)C(=O)CCCc1ccccc1)NC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)NCCCc1ccc2ccccc2c1
Show InChI InChI=1S/C45H54N5O10P/c46-39(51)29-38(43(56)47-23-7-11-32-19-20-35-12-4-5-13-36(35)26-32)48-44(57)45(21-24-50(25-22-45)40(52)14-6-10-31-8-2-1-3-9-31)49-42(55)37(28-41(53)54)27-33-15-17-34(18-16-33)30-61(58,59)60/h1-5,8-9,12-13,15-20,26,37-38H,6-7,10-11,14,21-25,27-30H2,(H2,46,51)(H,47,56)(H,48,57)(H,49,55)(H,53,54)(H2,58,59,60)/t37-,38+/m1/s1
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n/an/an/a 27n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Grb2-SH2 domain by surface plasmon resonance

J Med Chem 50: 1978-82 (2007)


Article DOI: 10.1021/jm0614073
BindingDB Entry DOI: 10.7270/Q29P31BB
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50208571
PNG
((R)-4-(4-(((S)-4-amino-1-(3-(naphthalen-2-yl)propy...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCN(CC1)C(=O)OCc1ccccc1)NC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)NCCCc1ccc2ccccc2c1
Show InChI InChI=1S/C43H50N5O11P/c44-37(49)26-36(40(53)45-20-6-9-29-16-17-33-10-4-5-11-34(33)23-29)46-41(54)43(18-21-48(22-19-43)42(55)59-27-31-7-2-1-3-8-31)47-39(52)35(25-38(50)51)24-30-12-14-32(15-13-30)28-60(56,57)58/h1-5,7-8,10-17,23,35-36H,6,9,18-22,24-28H2,(H2,44,49)(H,45,53)(H,46,54)(H,47,52)(H,50,51)(H2,56,57,58)/t35-,36+/m1/s1
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n/an/an/a 320n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Grb2-SH2 domain by surface plasmon resonance

J Med Chem 50: 1978-82 (2007)


Article DOI: 10.1021/jm0614073
BindingDB Entry DOI: 10.7270/Q29P31BB
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50208563
PNG
((R)-4-(4-(((S)-4-amino-1-(3-(naphthalen-2-yl)propy...)
Show SMILES Cc1ccc2n(CCC(=O)N3CCC(CC3)(NC(=O)[C@@H](CC(O)=O)Cc3ccc(CP(O)(O)=O)cc3)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc3ccc4ccccc4c3)ccc2c1
Show InChI InChI=1S/C47H55N6O10P/c1-31-8-15-40-37(25-31)16-21-52(40)22-17-42(55)53-23-18-47(19-24-53,51-44(58)38(28-43(56)57)27-33-9-11-34(12-10-33)30-64(61,62)63)46(60)50-39(29-41(48)54)45(59)49-20-4-5-32-13-14-35-6-2-3-7-36(35)26-32/h2-3,6-16,21,25-26,38-39H,4-5,17-20,22-24,27-30H2,1H3,(H2,48,54)(H,49,59)(H,50,60)(H,51,58)(H,56,57)(H2,61,62,63)/t38-,39+/m1/s1
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n/an/an/a 458n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Grb2-SH2 domain by surface plasmon resonance

J Med Chem 50: 1978-82 (2007)


Article DOI: 10.1021/jm0614073
BindingDB Entry DOI: 10.7270/Q29P31BB
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50208562
PNG
((R)-4-(4-(((S)-4-amino-1-(3-(naphthalen-2-yl)propy...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCN(CC1)S(=O)(=O)CCc1ccccc1)NC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)NCCCc1ccc2ccccc2c1
Show InChI InChI=1S/C43H52N5O11PS/c44-38(49)28-37(41(53)45-21-6-9-31-16-17-34-10-4-5-11-35(34)25-31)46-42(54)43(19-22-48(23-20-43)61(58,59)24-18-30-7-2-1-3-8-30)47-40(52)36(27-39(50)51)26-32-12-14-33(15-13-32)29-60(55,56)57/h1-5,7-8,10-17,25,36-37H,6,9,18-24,26-29H2,(H2,44,49)(H,45,53)(H,46,54)(H,47,52)(H,50,51)(H2,55,56,57)/t36-,37+/m1/s1
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n/an/an/a 2.14E+3n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Grb2-SH2 domain by surface plasmon resonance

J Med Chem 50: 1978-82 (2007)


Article DOI: 10.1021/jm0614073
BindingDB Entry DOI: 10.7270/Q29P31BB
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50208569
PNG
((R)-4-(4-(((S)-4-amino-1-(3-(naphthalen-2-yl)propy...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCN(CC1)C(=O)NCCc1ccccc1)NC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)NCCCc1ccc2ccccc2c1
Show InChI InChI=1S/C44H53N6O10P/c45-38(51)28-37(41(55)46-21-6-9-31-16-17-34-10-4-5-11-35(34)25-31)48-42(56)44(19-23-50(24-20-44)43(57)47-22-18-30-7-2-1-3-8-30)49-40(54)36(27-39(52)53)26-32-12-14-33(15-13-32)29-61(58,59)60/h1-5,7-8,10-17,25,36-37H,6,9,18-24,26-29H2,(H2,45,51)(H,46,55)(H,47,57)(H,48,56)(H,49,54)(H,52,53)(H2,58,59,60)/t36-,37+/m1/s1
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n/an/an/a 272n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Grb2-SH2 domain by surface plasmon resonance

J Med Chem 50: 1978-82 (2007)


Article DOI: 10.1021/jm0614073
BindingDB Entry DOI: 10.7270/Q29P31BB
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50208564
PNG
((R)-4-(4-(((S)-4-amino-1-(3-(naphthalen-2-yl)propy...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCN(CC1)C(=O)OCCc1ccccc1)NC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)NCCCc1ccc2ccccc2c1
Show InChI InChI=1S/C44H52N5O11P/c45-38(50)28-37(41(54)46-21-6-9-31-16-17-34-10-4-5-11-35(34)25-31)47-42(55)44(19-22-49(23-20-44)43(56)60-24-18-30-7-2-1-3-8-30)48-40(53)36(27-39(51)52)26-32-12-14-33(15-13-32)29-61(57,58)59/h1-5,7-8,10-17,25,36-37H,6,9,18-24,26-29H2,(H2,45,50)(H,46,54)(H,47,55)(H,48,53)(H,51,52)(H2,57,58,59)/t36-,37+/m1/s1
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n/an/an/a 36n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Grb2-SH2 domain by surface plasmon resonance

J Med Chem 50: 1978-82 (2007)


Article DOI: 10.1021/jm0614073
BindingDB Entry DOI: 10.7270/Q29P31BB
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50208570
PNG
((R)-4-(4-(((S)-4-amino-1-(3-(naphthalen-2-yl)propy...)
Show SMILES COC(=O)N1CCC(CC1)(NC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc1ccc2ccccc2c1
Show InChI InChI=1S/C37H46N5O11P/c1-53-36(49)42-17-14-37(15-18-42,41-33(46)29(21-32(44)45)20-25-8-10-26(11-9-25)23-54(50,51)52)35(48)40-30(22-31(38)43)34(47)39-16-4-5-24-12-13-27-6-2-3-7-28(27)19-24/h2-3,6-13,19,29-30H,4-5,14-18,20-23H2,1H3,(H2,38,43)(H,39,47)(H,40,48)(H,41,46)(H,44,45)(H2,50,51,52)/t29-,30+/m1/s1
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n/an/an/a 106n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Grb2-SH2 domain by surface plasmon resonance

J Med Chem 50: 1978-82 (2007)


Article DOI: 10.1021/jm0614073
BindingDB Entry DOI: 10.7270/Q29P31BB
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50208565
PNG
((R)-4-(4-(((S)-4-amino-1-(3-(naphthalen-2-yl)propy...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCN(CC1)C(=O)CCCCc1ccccc1)NC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)NCCCc1ccc2ccccc2c1
Show InChI InChI=1S/C46H56N5O10P/c47-40(52)30-39(44(57)48-24-8-12-33-20-21-36-13-5-6-14-37(36)27-33)49-45(58)46(22-25-51(26-23-46)41(53)15-7-4-11-32-9-2-1-3-10-32)50-43(56)38(29-42(54)55)28-34-16-18-35(19-17-34)31-62(59,60)61/h1-3,5-6,9-10,13-14,16-21,27,38-39H,4,7-8,11-12,15,22-26,28-31H2,(H2,47,52)(H,48,57)(H,49,58)(H,50,56)(H,54,55)(H2,59,60,61)/t38-,39+/m1/s1
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n/an/an/a 2.18E+3n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Grb2-SH2 domain by surface plasmon resonance

J Med Chem 50: 1978-82 (2007)


Article DOI: 10.1021/jm0614073
BindingDB Entry DOI: 10.7270/Q29P31BB
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50208568
PNG
((R)-4-(4-(((S)-4-amino-1-(3-(naphthalen-2-yl)propy...)
Show SMILES COCCOC(=O)N1CCC(CC1)(NC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc1ccc2ccccc2c1
Show InChI InChI=1S/C39H50N5O12P/c1-55-19-20-56-38(51)44-17-14-39(15-18-44,43-35(48)31(23-34(46)47)22-27-8-10-28(11-9-27)25-57(52,53)54)37(50)42-32(24-33(40)45)36(49)41-16-4-5-26-12-13-29-6-2-3-7-30(29)21-26/h2-3,6-13,21,31-32H,4-5,14-20,22-25H2,1H3,(H2,40,45)(H,41,49)(H,42,50)(H,43,48)(H,46,47)(H2,52,53,54)/t31-,32+/m1/s1
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n/an/an/a 202n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Grb2-SH2 domain by surface plasmon resonance

J Med Chem 50: 1978-82 (2007)


Article DOI: 10.1021/jm0614073
BindingDB Entry DOI: 10.7270/Q29P31BB
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50208567
PNG
(4-((4-(((S)-4-amino-1-(3-(naphthalen-2-yl)propylam...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCN(CC1)C(=O)OCc1ccc(cc1)C(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)NCCCc1ccc2ccccc2c1
Show InChI InChI=1S/C44H50N5O13P/c45-37(50)25-36(40(54)46-19-3-4-28-11-14-32-5-1-2-6-34(32)22-28)47-42(57)44(17-20-49(21-18-44)43(58)62-26-30-12-15-33(16-13-30)41(55)56)48-39(53)35(24-38(51)52)23-29-7-9-31(10-8-29)27-63(59,60)61/h1-2,5-16,22,35-36H,3-4,17-21,23-27H2,(H2,45,50)(H,46,54)(H,47,57)(H,48,53)(H,51,52)(H,55,56)(H2,59,60,61)/t35-,36+/m1/s1
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n/an/an/a 871n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Grb2-SH2 domain by surface plasmon resonance

J Med Chem 50: 1978-82 (2007)


Article DOI: 10.1021/jm0614073
BindingDB Entry DOI: 10.7270/Q29P31BB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%