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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Growth factor receptor-bound protein 7' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 7


(Homo sapiens)
BDBM50334294
PNG
(CHEMBL1642687 | methyl 3-(6-benzoyl-3-hydroxyquino...)
Show SMILES COC(=O)C(=O)C(C(=O)C(=O)Nc1cc(C)ccc1C)c1nc2ccc(cc2[nH]c1=O)C(=O)c1ccccc1
Show InChI InChI=1S/C29H23N3O7/c1-15-9-10-16(2)20(13-15)31-28(37)25(34)22(26(35)29(38)39-3)23-27(36)32-21-14-18(11-12-19(21)30-23)24(33)17-7-5-4-6-8-17/h4-14,22H,1-3H3,(H,31,37)(H,32,36)
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n/an/an/a 5.06E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to human GRB7 expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Citation and Details
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 7


(Homo sapiens)
BDBM50124407
PNG
(CHEMBL3623448)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C67H80N14O19S/c1-35(82)57-66(99)78-49(27-37-13-6-3-7-14-37)67(100)81-24-10-17-51(81)65(98)79-50(58(69)91)33-101-34-54(86)73-46(29-40-28-39-15-8-9-16-42(39)71-40)62(95)75-45(25-36-11-4-2-5-12-36)61(94)74-43(22-23-55(87)88)59(92)70-32-53(85)72-44(26-38-18-20-41(83)21-19-38)60(93)77-48(31-56(89)90)63(96)76-47(30-52(68)84)64(97)80-57/h2-9,11-16,18-21,28,35,43-51,57,71,82-83H,10,17,22-27,29-34H2,1H3,(H2,68,84)(H2,69,91)(H,70,92)(H,72,85)(H,73,86)(H,74,94)(H,75,95)(H,76,96)(H,77,93)(H,78,99)(H,79,98)(H,80,97)(H,87,88)(H,89,90)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/s2
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n/an/an/a 3.47E+5n/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Grb7-SH2 domain (unknown origin) without using phosphate buffer by SPR analysis


J Med Chem 58: 7707-18 (2015)

More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 7


(Homo sapiens)
BDBM50334296
PNG
(CHEMBL1642689 | methyl 5-(3-acetylphenylamino)-3-(...)
Show SMILES COC(=O)C(=O)C(C(=O)C(=O)Nc1cccc(c1)C(C)=O)c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H17N3O7/c1-11(26)12-6-5-7-13(10-12)23-21(30)18(27)16(19(28)22(31)32-2)17-20(29)25-15-9-4-3-8-14(15)24-17/h3-10,16H,1-2H3,(H,23,30)(H,25,29)
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n/an/an/a 7.12E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to human GRB7 expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Citation and Details
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 7


(Homo sapiens)
BDBM50334297
PNG
(CHEMBL1642690 | methyl 5-(2-ethyl-6-isopropylpheny...)
Show SMILES CCc1cccc(C(C)C)c1NC(=O)C(=O)C(C(=O)C(=O)OC)c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H25N3O6/c1-5-14-9-8-10-15(13(2)3)19(14)28-24(32)21(29)18(22(30)25(33)34-4)20-23(31)27-17-12-7-6-11-16(17)26-20/h6-13,18H,5H2,1-4H3,(H,27,31)(H,28,32)
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n/an/an/a 5.76E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to human GRB7 expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Citation and Details
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 7


(Homo sapiens)
BDBM50334298
PNG
(CHEMBL1642691 | methyl 3-(6-benzoyl-3-hydroxyquino...)
Show SMILES COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc(cc2[nH]c1=O)C(=O)c1ccccc1
Show InChI InChI=1S/C28H21N3O7/c1-15-8-11-18(12-9-15)29-27(36)24(33)21(25(34)28(37)38-2)22-26(35)31-20-14-17(10-13-19(20)30-22)23(32)16-6-4-3-5-7-16/h3-14,21H,1-2H3,(H,29,36)(H,31,35)
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n/an/an/a 3.06E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to human GRB7 expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Citation and Details
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 7


(Homo sapiens)
BDBM50334299
PNG
(CHEMBL1642692 | methyl 3-(6-benzoyl-3-hydroxyquino...)
Show SMILES COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(N)=O)c1nc2ccc(cc2[nH]c1=O)C(=O)c1ccccc1
Show InChI InChI=1S/C28H20N4O8/c1-40-28(39)24(35)20(23(34)27(38)31-17-10-6-5-9-16(17)25(29)36)21-26(37)32-19-13-15(11-12-18(19)30-21)22(33)14-7-3-2-4-8-14/h2-13,20H,1H3,(H2,29,36)(H,31,38)(H,32,37)
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n/an/an/a 1.72E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to human GRB7 expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Citation and Details
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 7


(Homo sapiens)
BDBM50124405
PNG
(CHEMBL3623449)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(CC(O)=O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C69H82N14O20S/c1-36(84)59-68(102)80-50(27-38-13-6-3-7-14-38)69(103)83-24-10-17-52(83)67(101)81-51(60(71)94)34-104-35-55(87)75-47(30-42-29-41-15-8-9-16-43(41)73-42)64(98)77-46(25-37-11-4-2-5-12-37)63(97)76-44(22-23-56(88)89)61(95)72-33-54(86)74-45(26-39-18-20-40(21-19-39)28-57(90)91)62(96)79-49(32-58(92)93)65(99)78-48(31-53(70)85)66(100)82-59/h2-9,11-16,18-21,29,36,44-52,59,73,84H,10,17,22-28,30-35H2,1H3,(H2,70,85)(H2,71,94)(H,72,95)(H,74,86)(H,75,87)(H,76,97)(H,77,98)(H,78,99)(H,79,96)(H,80,102)(H,81,101)(H,82,100)(H,88,89)(H,90,91)(H,92,93)/t36-,44+,45+,46+,47+,48+,49+,50+,51+,52+,59+/s2
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n/an/an/a 3.90E+3n/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 20 mM...


J Med Chem 58: 7707-18 (2015)

More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 7


(Homo sapiens)
BDBM50124405
PNG
(CHEMBL3623449)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(CC(O)=O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C69H82N14O20S/c1-36(84)59-68(102)80-50(27-38-13-6-3-7-14-38)69(103)83-24-10-17-52(83)67(101)81-51(60(71)94)34-104-35-55(87)75-47(30-42-29-41-15-8-9-16-43(41)73-42)64(98)77-46(25-37-11-4-2-5-12-37)63(97)76-44(22-23-56(88)89)61(95)72-33-54(86)74-45(26-39-18-20-40(21-19-39)28-57(90)91)62(96)79-49(32-58(92)93)65(99)78-48(31-53(70)85)66(100)82-59/h2-9,11-16,18-21,29,36,44-52,59,73,84H,10,17,22-28,30-35H2,1H3,(H2,70,85)(H2,71,94)(H,72,95)(H,74,86)(H,75,87)(H,76,97)(H,77,98)(H,78,99)(H,79,96)(H,80,102)(H,81,101)(H,82,100)(H,88,89)(H,90,91)(H,92,93)/t36-,44+,45+,46+,47+,48+,49+,50+,51+,52+,59+/s2
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n/an/an/a 3.11E+4n/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 50 mM...


J Med Chem 58: 7707-18 (2015)

More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 7


(Homo sapiens)
BDBM50124405
PNG
(CHEMBL3623449)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(CC(O)=O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C69H82N14O20S/c1-36(84)59-68(102)80-50(27-38-13-6-3-7-14-38)69(103)83-24-10-17-52(83)67(101)81-51(60(71)94)34-104-35-55(87)75-47(30-42-29-41-15-8-9-16-43(41)73-42)64(98)77-46(25-37-11-4-2-5-12-37)63(97)76-44(22-23-56(88)89)61(95)72-33-54(86)74-45(26-39-18-20-40(21-19-39)28-57(90)91)62(96)79-49(32-58(92)93)65(99)78-48(31-53(70)85)66(100)82-59/h2-9,11-16,18-21,29,36,44-52,59,73,84H,10,17,22-28,30-35H2,1H3,(H2,70,85)(H2,71,94)(H,72,95)(H,74,86)(H,75,87)(H,76,97)(H,77,98)(H,78,99)(H,79,96)(H,80,102)(H,81,101)(H,82,100)(H,88,89)(H,90,91)(H,92,93)/t36-,44+,45+,46+,47+,48+,49+,50+,51+,52+,59+/s2
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n/an/an/a 7.73E+4n/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 350 m...


J Med Chem 58: 7707-18 (2015)

More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 7


(Homo sapiens)
BDBM50124405
PNG
(CHEMBL3623449)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(CC(O)=O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C69H82N14O20S/c1-36(84)59-68(102)80-50(27-38-13-6-3-7-14-38)69(103)83-24-10-17-52(83)67(101)81-51(60(71)94)34-104-35-55(87)75-47(30-42-29-41-15-8-9-16-43(41)73-42)64(98)77-46(25-37-11-4-2-5-12-37)63(97)76-44(22-23-56(88)89)61(95)72-33-54(86)74-45(26-39-18-20-40(21-19-39)28-57(90)91)62(96)79-49(32-58(92)93)65(99)78-48(31-53(70)85)66(100)82-59/h2-9,11-16,18-21,29,36,44-52,59,73,84H,10,17,22-28,30-35H2,1H3,(H2,70,85)(H2,71,94)(H,72,95)(H,74,86)(H,75,87)(H,76,97)(H,77,98)(H,78,99)(H,79,96)(H,80,102)(H,81,101)(H,82,100)(H,88,89)(H,90,91)(H,92,93)/t36-,44+,45+,46+,47+,48+,49+,50+,51+,52+,59+/s2
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n/an/an/a 5.70E+3n/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 20 mM...


J Med Chem 58: 7707-18 (2015)

More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 7


(Homo sapiens)
BDBM50124406
PNG
(CHEMBL3623450)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(cc2)C(O)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C68H80N14O20S/c1-35(83)57-66(99)79-49(27-37-13-6-3-7-14-37)67(100)82-24-10-17-51(82)65(98)80-50(58(70)91)33-103-34-54(86)74-46(29-41-28-40-15-8-9-16-42(40)72-41)62(95)76-45(25-36-11-4-2-5-12-36)61(94)75-43(22-23-55(87)88)59(92)71-32-53(85)73-44(26-38-18-20-39(21-19-38)68(101)102)60(93)78-48(31-56(89)90)63(96)77-47(30-52(69)84)64(97)81-57/h2-9,11-16,18-21,28,35,43-51,57,72,83H,10,17,22-27,29-34H2,1H3,(H2,69,84)(H2,70,91)(H,71,92)(H,73,85)(H,74,86)(H,75,94)(H,76,95)(H,77,96)(H,78,93)(H,79,99)(H,80,98)(H,81,97)(H,87,88)(H,89,90)(H,101,102)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/s2
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n/an/an/a 6.57E+3n/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 50 mM...


J Med Chem 58: 7707-18 (2015)

More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 7


(Homo sapiens)
BDBM50124406
PNG
(CHEMBL3623450)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(cc2)C(O)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C68H80N14O20S/c1-35(83)57-66(99)79-49(27-37-13-6-3-7-14-37)67(100)82-24-10-17-51(82)65(98)80-50(58(70)91)33-103-34-54(86)74-46(29-41-28-40-15-8-9-16-42(40)72-41)62(95)76-45(25-36-11-4-2-5-12-36)61(94)75-43(22-23-55(87)88)59(92)71-32-53(85)73-44(26-38-18-20-39(21-19-38)68(101)102)60(93)78-48(31-56(89)90)63(96)77-47(30-52(69)84)64(97)81-57/h2-9,11-16,18-21,28,35,43-51,57,72,83H,10,17,22-27,29-34H2,1H3,(H2,69,84)(H2,70,91)(H,71,92)(H,73,85)(H,74,86)(H,75,94)(H,76,95)(H,77,96)(H,78,93)(H,79,99)(H,80,98)(H,81,97)(H,87,88)(H,89,90)(H,101,102)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/s2
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n/an/an/a 2.10E+3n/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 20 mM...


J Med Chem 58: 7707-18 (2015)

More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 7


(Homo sapiens)
BDBM50124407
PNG
(CHEMBL3623448)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C67H80N14O19S/c1-35(82)57-66(99)78-49(27-37-13-6-3-7-14-37)67(100)81-24-10-17-51(81)65(98)79-50(58(69)91)33-101-34-54(86)73-46(29-40-28-39-15-8-9-16-42(39)71-40)62(95)75-45(25-36-11-4-2-5-12-36)61(94)74-43(22-23-55(87)88)59(92)70-32-53(85)72-44(26-38-18-20-41(83)21-19-38)60(93)77-48(31-56(89)90)63(96)76-47(30-52(68)84)64(97)80-57/h2-9,11-16,18-21,28,35,43-51,57,71,82-83H,10,17,22-27,29-34H2,1H3,(H2,68,84)(H2,69,91)(H,70,92)(H,72,85)(H,73,86)(H,74,94)(H,75,95)(H,76,96)(H,77,93)(H,78,99)(H,79,98)(H,80,97)(H,87,88)(H,89,90)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/s2
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n/an/an/a 3.47E+5n/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 20 mM...


J Med Chem 58: 7707-18 (2015)

More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 7


(Homo sapiens)
BDBM50124407
PNG
(CHEMBL3623448)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C67H80N14O19S/c1-35(82)57-66(99)78-49(27-37-13-6-3-7-14-37)67(100)81-24-10-17-51(81)65(98)79-50(58(69)91)33-101-34-54(86)73-46(29-40-28-39-15-8-9-16-42(39)71-40)62(95)75-45(25-36-11-4-2-5-12-36)61(94)74-43(22-23-55(87)88)59(92)70-32-53(85)72-44(26-38-18-20-41(83)21-19-38)60(93)77-48(31-56(89)90)63(96)76-47(30-52(68)84)64(97)80-57/h2-9,11-16,18-21,28,35,43-51,57,71,82-83H,10,17,22-27,29-34H2,1H3,(H2,68,84)(H2,69,91)(H,70,92)(H,72,85)(H,73,86)(H,74,94)(H,75,95)(H,76,96)(H,77,93)(H,78,99)(H,79,98)(H,80,97)(H,87,88)(H,89,90)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/s2
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n/an/an/a 2.90E+3n/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 50 mM...


J Med Chem 58: 7707-18 (2015)

More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 7


(Homo sapiens)
BDBM50124407
PNG
(CHEMBL3623448)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C67H80N14O19S/c1-35(82)57-66(99)78-49(27-37-13-6-3-7-14-37)67(100)81-24-10-17-51(81)65(98)79-50(58(69)91)33-101-34-54(86)73-46(29-40-28-39-15-8-9-16-42(39)71-40)62(95)75-45(25-36-11-4-2-5-12-36)61(94)74-43(22-23-55(87)88)59(92)70-32-53(85)72-44(26-38-18-20-41(83)21-19-38)60(93)77-48(31-56(89)90)63(96)76-47(30-52(68)84)64(97)80-57/h2-9,11-16,18-21,28,35,43-51,57,71,82-83H,10,17,22-27,29-34H2,1H3,(H2,68,84)(H2,69,91)(H,70,92)(H,72,85)(H,73,86)(H,74,94)(H,75,95)(H,76,96)(H,77,93)(H,78,99)(H,79,98)(H,80,97)(H,87,88)(H,89,90)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/s2
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n/an/an/a 2.60E+3n/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 350 m...


J Med Chem 58: 7707-18 (2015)

More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 7


(Homo sapiens)
BDBM50124407
PNG
(CHEMBL3623448)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C67H80N14O19S/c1-35(82)57-66(99)78-49(27-37-13-6-3-7-14-37)67(100)81-24-10-17-51(81)65(98)79-50(58(69)91)33-101-34-54(86)73-46(29-40-28-39-15-8-9-16-42(39)71-40)62(95)75-45(25-36-11-4-2-5-12-36)61(94)74-43(22-23-55(87)88)59(92)70-32-53(85)72-44(26-38-18-20-41(83)21-19-38)60(93)77-48(31-56(89)90)63(96)76-47(30-52(68)84)64(97)80-57/h2-9,11-16,18-21,28,35,43-51,57,71,82-83H,10,17,22-27,29-34H2,1H3,(H2,68,84)(H2,69,91)(H,70,92)(H,72,85)(H,73,86)(H,74,94)(H,75,95)(H,76,96)(H,77,93)(H,78,99)(H,79,98)(H,80,97)(H,87,88)(H,89,90)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/s2
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n/an/an/a 1.81E+4n/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 20 mM...


J Med Chem 58: 7707-18 (2015)

More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 7


(Homo sapiens)
BDBM50124407
PNG
(CHEMBL3623448)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C67H80N14O19S/c1-35(82)57-66(99)78-49(27-37-13-6-3-7-14-37)67(100)81-24-10-17-51(81)65(98)79-50(58(69)91)33-101-34-54(86)73-46(29-40-28-39-15-8-9-16-42(39)71-40)62(95)75-45(25-36-11-4-2-5-12-36)61(94)74-43(22-23-55(87)88)59(92)70-32-53(85)72-44(26-38-18-20-41(83)21-19-38)60(93)77-48(31-56(89)90)63(96)76-47(30-52(68)84)64(97)80-57/h2-9,11-16,18-21,28,35,43-51,57,71,82-83H,10,17,22-27,29-34H2,1H3,(H2,68,84)(H2,69,91)(H,70,92)(H,72,85)(H,73,86)(H,74,94)(H,75,95)(H,76,96)(H,77,93)(H,78,99)(H,79,98)(H,80,97)(H,87,88)(H,89,90)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/s2
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n/an/an/a 4.10E+3n/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Grb7-SH2 domain (unknown origin) using 100 mM phosphate buffer by SPR analysis


J Med Chem 58: 7707-18 (2015)

More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 7


(Homo sapiens)
BDBM50334295
PNG
(CHEMBL1642688 | methyl 5-(2-cyano-4-nitrophenylami...)
Show SMILES COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(cc1C#N)[N+]([O-])=O)c1nc2ccc(cc2[nH]c1=O)[N+]([O-])=O
Show InChI InChI=1S/C21H12N6O10/c1-37-21(32)18(29)15(16-19(30)25-14-7-11(27(35)36)3-5-13(14)23-16)17(28)20(31)24-12-4-2-10(26(33)34)6-9(12)8-22/h2-7,15H,1H3,(H,24,31)(H,25,30)
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Article
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n/an/an/a 6.57E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to human GRB7 expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Citation and Details
More data for this
Ligand-Target Pair