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Compile Data Set for Download or QSAR

Found 398 hits Enz. Inhib. hit(s) with Target = 'Growth factor receptor-bound protein 2'   
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
Grb2-SH2


(Homo sapiens (human))
BDBM50064333
PNG
(CHEMBL49860 | Phosphoric acid mono-(2-amino-4-{2-a...)
Show SMILES NC(Cc1ccc(OP(O)(O)=O)c(N)c1)C(=O)NC1(CCCCC1)C(=O)NC(CC(N)=O)C(N)=O
Show InChI InChI=1S/C20H31N6O8P/c21-12-8-11(4-5-15(12)34-35(31,32)33)9-13(22)18(29)26-20(6-2-1-3-7-20)19(30)25-14(17(24)28)10-16(23)27/h4-5,8,13-14H,1-3,6-7,9-10,21-22H2,(H2,23,27)(H2,24,28)(H,25,30)(H,26,29)(H2,31,32,33)
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n/an/a 0.00400n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Growth factor receptor bound protein 2 (Grb2) SH2 domain


J Med Chem 41: 1741-4 (1998)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Grb2-SH2


(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)

More data for this
Ligand-Target Pair
Grb2-SH2


(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)

More data for this
Ligand-Target Pair
Grb2-SH2


(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)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50078348
PNG
(CHEMBL77689 | [(S)-1-[1-((S)-1,2-Dicarbamoyl-ethyl...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1)C(N)=O
Show InChI InChI=1S/C28H37N6O10P/c29-19-6-4-5-18(13-19)16-43-27(39)33-22(14-17-7-9-20(10-8-17)44-45(40,41)42)25(37)34-28(11-2-1-3-12-28)26(38)32-21(24(31)36)15-23(30)35/h4-10,13,21-22H,1-3,11-12,14-16,29H2,(H2,30,35)(H2,31,36)(H,32,38)(H,33,39)(H,34,37)(H2,40,41,42)/t21-,22-/m0/s1
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n/an/a 1n/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


J Med Chem 42: 2358-63 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Grb2-SH2


(Homo sapiens (human))
BDBM50064333
PNG
(CHEMBL49860 | Phosphoric acid mono-(2-amino-4-{2-a...)
Show SMILES NC(Cc1ccc(OP(O)(O)=O)c(N)c1)C(=O)NC1(CCCCC1)C(=O)NC(CC(N)=O)C(N)=O
Show InChI InChI=1S/C20H31N6O8P/c21-12-8-11(4-5-15(12)34-35(31,32)33)9-13(22)18(29)26-20(6-2-1-3-7-20)19(30)25-14(17(24)28)10-16(23)27/h4-5,8,13-14H,1-3,6-7,9-10,21-22H2,(H2,23,27)(H2,24,28)(H,25,30)(H,26,29)(H2,31,32,33)
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n/an/a 1n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Grb2 SH2 domain


J Med Chem 41: 1741-4 (1998)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Grb2-SH2


(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)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50139763
PNG
(CHEMBL306657 | [(E)-(9S,10S,14S,18S)-18-Carbamoylm...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C39H47N4O9P/c40-34(44)22-33-37(48)41-23-26(20-29-11-7-10-27-9-2-3-12-30(27)29)8-6-13-31(28-16-14-25(15-17-28)24-53(50,51)52)32(21-35(45)46)36(47)43-39(38(49)42-33)18-4-1-5-19-39/h2-3,6-7,9-17,26,31-33H,1,4-5,8,18-24H2,(H2,40,44)(H,41,48)(H,42,49)(H,43,47)(H,45,46)(H2,50,51,52)/b13-6+/t26-,31+,32-,33-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro Growth factor receptor bound protein 2-binding affinity of the compound was determined in in surface plasmon resonance (SPR) method


J Med Chem 47: 2166-9 (2004)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50078347
PNG
(CHEMBL307890 | [(S)-1-[1-((1R,6S)-6-Carbamoyl-cycl...)
Show SMILES NC(=O)[C@H]1CCC=C[C@H]1NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1
Show InChI InChI=1S/C31H40N5O9P/c32-22-8-6-7-21(17-22)19-44-30(40)35-26(18-20-11-13-23(14-12-20)45-46(41,42)43)28(38)36-31(15-4-1-5-16-31)29(39)34-25-10-3-2-9-24(25)27(33)37/h3,6-8,10-14,17,24-26H,1-2,4-5,9,15-16,18-19,32H2,(H2,33,37)(H,34,39)(H,35,40)(H,36,38)(H2,41,42,43)/t24-,25+,26-/m0/s1
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n/an/a 1.60n/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


J Med Chem 42: 2358-63 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Grb2-SH2


(Homo sapiens (human))
BDBM50078347
PNG
(CHEMBL307890 | [(S)-1-[1-((1R,6S)-6-Carbamoyl-cycl...)
Show SMILES NC(=O)[C@H]1CCC=C[C@H]1NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1
Show InChI InChI=1S/C31H40N5O9P/c32-22-8-6-7-21(17-22)19-44-30(40)35-26(18-20-11-13-23(14-12-20)45-46(41,42)43)28(38)36-31(15-4-1-5-16-31)29(39)34-25-10-3-2-9-24(25)27(33)37/h3,6-8,10-14,17,24-26H,1-2,4-5,9,15-16,18-19,32H2,(H2,33,37)(H,34,39)(H,35,40)(H,36,38)(H2,41,42,43)/t24-,25+,26-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


J Med Chem 45: 1543-58 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Grb2-SH2


(Homo sapiens (human))
BDBM50124296
PNG
(12-benzyl-36-carbamoylmethyl-9-(4-phosphonooxybenz...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C2(CCCCC2)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)(C)C)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1S/C60H83N12O17PS/c1-33(2)49-57(84)63-30-47(75)65-44(29-59(4,5)6)55(82)67-41(26-36-15-19-38(73)20-16-36)53(80)69-45(50(62)77)31-91-32-48(76)64-34(3)51(78)66-40(25-35-13-9-7-10-14-35)52(79)68-42(27-37-17-21-39(22-18-37)89-90(86,87)88)56(83)72-60(23-11-8-12-24-60)58(85)70-43(28-46(61)74)54(81)71-49/h7,9-10,13-22,33-34,40-45,49,73H,8,11-12,23-32H2,1-6H3,(H2,61,74)(H2,62,77)(H,63,84)(H,64,76)(H,65,75)(H,66,78)(H,67,82)(H,68,79)(H,69,80)(H,70,85)(H,71,81)(H,72,83)(H2,86,87,88)/t34-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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n/an/a 1.68n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor-bound protein 2 (Grb2) SH2 domain binding by ELISA


Bioorg Med Chem Lett 13: 895-9 (2003)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50122796
PNG
(CHEMBL84798 | [18-Carbamoylmethyl-14-(2,3-dihydro-...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](CC2=c3ccccc3=CCC2)CNC1=O)c1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C39H49N4O9P/c40-34(44)22-33-37(48)41-23-26(20-29-11-7-10-27-9-2-3-12-30(27)29)8-6-13-31(28-16-14-25(15-17-28)24-53(50,51)52)32(21-35(45)46)36(47)43-39(38(49)42-33)18-4-1-5-19-39/h2-3,6,9-10,12-17,26,31-33H,1,4-5,7-8,11,18-24H2,(H2,40,44)(H,41,48)(H,42,49)(H,43,47)(H,45,46)(H2,50,51,52)/b13-6+/t26-,31+,32-,33-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition against Growth factor receptor bound protein 2 binding using ELISA technique


J Med Chem 46: 244-54 (2003)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50085869
PNG
(CHEMBL367037 | N-[1-(1-{2-Carbamoyl-1-[3-(5-methyl...)
Show SMILES Cc1ccc2n(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C3(CCCCC3)NC(=O)[C@H](Cc3ccc(CP(O)(O)=O)cc3)NC(=O)C(O)=O)ccc2c1
Show InChI InChI=1S/C35H45N6O10P/c1-22-6-11-28-25(18-22)12-17-41(28)16-5-15-37-30(43)27(20-29(36)42)39-34(48)35(13-3-2-4-14-35)40-31(44)26(38-32(45)33(46)47)19-23-7-9-24(10-8-23)21-52(49,50)51/h6-12,17-18,26-27H,2-5,13-16,19-21H2,1H3,(H2,36,42)(H,37,43)(H,38,45)(H,39,48)(H,40,44)(H,46,47)(H2,49,50,51)/t26-,27-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor bound protein 2 binding by ELISA assay method


J Med Chem 43: 911-20 (2000)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50139763
PNG
(CHEMBL306657 | [(E)-(9S,10S,14S,18S)-18-Carbamoylm...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C39H47N4O9P/c40-34(44)22-33-37(48)41-23-26(20-29-11-7-10-27-9-2-3-12-30(27)29)8-6-13-31(28-16-14-25(15-17-28)24-53(50,51)52)32(21-35(45)46)36(47)43-39(38(49)42-33)18-4-1-5-19-39/h2-3,6-7,9-17,26,31-33H,1,4-5,8,18-24H2,(H2,40,44)(H,41,48)(H,42,49)(H,43,47)(H,45,46)(H2,50,51,52)/b13-6+/t26-,31+,32-,33-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity in extracellular ELISA-based assay for Grb2 SH2 domain


J Med Chem 47: 788-91 (2004)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50168312
PNG
(2-{4-[(16R,20S)-18-((S)-Carbamoylmethyl)-9-carboxy...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(cc3)C(C(O)=O)C(O)=O)ccc2c1
Show InChI InChI=1S/C40H47N5O10/c1-23-8-13-31-27(18-23)14-17-45(31)22-24-6-5-7-28(25-9-11-26(12-10-25)34(37(51)52)38(53)54)29(19-33(47)48)35(49)44-40(15-3-2-4-16-40)39(55)43-30(20-32(41)46)36(50)42-21-24/h5,7-14,17-18,24,28-30,34H,2-4,6,15-16,19-22H2,1H3,(H2,41,46)(H,42,50)(H,43,55)(H,44,49)(H,47,48)(H,51,52)(H,53,54)/b7-5+/t24-,28-,29+,30+/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against growth factor receptor bound protein 2


J Med Chem 48: 3945-8 (2005)

More data for this
Ligand-Target Pair
Grb2-SH2


(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)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50124301
PNG
(2-[9-(4-phosphonooxybenzyl)-21-carbamoyl-24-(4-hyd...)
Show SMILES CSCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)C2(CCCCC2)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)C(C)C
Show InChI InChI=1S/C55H81N12O17PS2/c1-29(2)22-37-49(75)63-39(24-33-12-16-35(17-13-33)84-85(81,82)83)52(78)67-55(19-8-7-9-20-55)54(80)65-40(25-42(56)69)51(77)66-45(30(3)4)53(79)58-26-43(70)60-36(18-21-86-6)48(74)62-38(23-32-10-14-34(68)15-11-32)50(76)64-41(46(57)72)27-87-28-44(71)59-31(5)47(73)61-37/h10-17,29-31,36-41,45,68H,7-9,18-28H2,1-6H3,(H2,56,69)(H2,57,72)(H,58,79)(H,59,71)(H,60,70)(H,61,73)(H,62,74)(H,63,75)(H,64,76)(H,65,80)(H,66,77)(H,67,78)(H2,81,82,83)/t31-,36-,37-,38-,39-,40-,41-,45-/m0/s1
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n/an/a 3.77n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor-bound protein 2 (Grb2) SH2 domain binding by ELISA


Bioorg Med Chem Lett 13: 895-9 (2003)

More data for this
Ligand-Target Pair
Grb2-SH2


(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 4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor bound protein 2 binding by ELISA assay method


J Med Chem 43: 911-20 (2000)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50143944
PNG
(2-[4-((E)-(9S,10S,14S,18S)-18-Carbamoylmethyl-9-ca...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(cc1)C(C([O-])=O)C([O-])=O
Show InChI InChI=1S/C41H46N4O10/c42-33(46)22-32-37(50)43-23-24(20-28-11-7-10-25-9-2-3-12-29(25)28)8-6-13-30(26-14-16-27(17-15-26)35(38(51)52)39(53)54)31(21-34(47)48)36(49)45-41(40(55)44-32)18-4-1-5-19-41/h2-3,6-7,9-17,24,30-32,35H,1,4-5,8,18-23H2,(H2,42,46)(H,43,50)(H,44,55)(H,45,49)(H,47,48)(H,51,52)(H,53,54)/p-2/b13-6+/t24-,30+,31-,32-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro Growth factor receptor bound protein 2-binding affinity of the compound was determined in ELISA method


J Med Chem 47: 2166-9 (2004)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50168318
PNG
(CHEMBL424823 | [(15R,20S)-18-Carbamoylmethyl-10-[4...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(CP(C)(O)=O)cc3)ccc2c1
Show InChI InChI=1S/C39H50N5O8P/c1-25-9-14-33-29(19-25)15-18-44(33)23-27-7-6-8-30(28-12-10-26(11-13-28)24-53(2,51)52)31(20-35(46)47)36(48)43-39(16-4-3-5-17-39)38(50)42-32(21-34(40)45)37(49)41-22-27/h6,8-15,18-19,27,30-32H,3-5,7,16-17,20-24H2,1-2H3,(H2,40,45)(H,41,49)(H,42,50)(H,43,48)(H,46,47)(H,51,52)/b8-6+/t27-,30-,31+,32+/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against growth factor receptor bound protein 2


J Med Chem 48: 3945-8 (2005)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50075017
PNG
(CHEMBL332862 | Phosphoric acid mono-[4-((R)-2-acet...)
Show SMILES CC(=O)N[C@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C35H44N5O9P/c1-23(41)38-29(21-24-14-16-27(17-15-24)49-50(46,47)48)33(44)40-35(18-5-2-6-19-35)34(45)39-30(22-31(36)42)32(43)37-20-8-12-26-11-7-10-25-9-3-4-13-28(25)26/h3-4,7,9-11,13-17,29-30H,2,5-6,8,12,18-22H2,1H3,(H2,36,42)(H,37,43)(H,38,41)(H,39,45)(H,40,44)(H2,46,47,48)/t29-,30+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Growth factor receptor bound protein 2 in MDA-MB-453 cells


Bioorg Med Chem Lett 9: 347-52 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Grb2-SH2


(Homo sapiens (human))
BDBM50124293
PNG
(2-[6'-(4-phosphonooxybenzyl)-27'-carbamoyl-24'-(4-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)C2(CCCCC2)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C59H87N12O17PS/c1-32(2)24-38-50(77)65-40(26-35-15-19-37(20-16-35)88-89(85,86)87)54(81)70-59(21-9-8-10-22-59)57(84)68-41(27-45(60)73)52(79)69-48(33(3)4)56(83)62-29-46(74)63-42(28-58(5,6)7)53(80)64-39(25-34-13-17-36(72)18-14-34)51(78)67-43(49(61)76)30-90-31-47(75)71-23-11-12-44(71)55(82)66-38/h13-20,32-33,38-44,48,72H,8-12,21-31H2,1-7H3,(H2,60,73)(H2,61,76)(H,62,83)(H,63,74)(H,64,80)(H,65,77)(H,66,82)(H,67,78)(H,68,84)(H,69,79)(H,70,81)(H2,85,86,87)/t38-,39-,40-,41-,42-,43-,44-,48-/m0/s1
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n/an/a 7.65n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor-bound protein 2 (Grb2) SH2 domain binding by ELISA


Bioorg Med Chem Lett 13: 895-9 (2003)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50336688
PNG
(CHEMBL1672710 | N2-{[1-({(2R)-2-carboxymethyl-3-[4...)
Show SMILES OC(=O)C[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C36H44N3O10P/c40-31(41)21-28(20-24-13-15-25(16-14-24)23-50(47,48)49)33(44)39-36(17-4-1-5-18-36)35(46)38-30(22-32(42)43)34(45)37-19-7-11-27-10-6-9-26-8-2-3-12-29(26)27/h2-3,6,8-10,12-16,28,30H,1,4-5,7,11,17-23H2,(H,37,45)(H,38,46)(H,39,44)(H,40,41)(H,42,43)(H2,47,48,49)/t28-,30+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of biotin-Ahx-PSpYVNVQN from Grb2-SH2 by competition binding assay


J Med Chem 54: 1096-100 (2011)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50122792
PNG
(CHEMBL312875 | [3-Carbamoylmethyl-14-(2,3-dihydro-...)
Show SMILES CC1(C)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](CC2=c3ccccc3=CCC2)CNC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C36H45N4O9P/c1-36(2)35(46)39-30(19-31(37)41)34(45)38-20-23(17-26-10-6-9-24-8-3-4-11-27(24)26)7-5-12-28(29(18-32(42)43)33(44)40-36)25-15-13-22(14-16-25)21-50(47,48)49/h3-5,8-9,11-16,23,28-30H,6-7,10,17-21H2,1-2H3,(H2,37,41)(H,38,45)(H,39,46)(H,40,44)(H,42,43)(H2,47,48,49)/b12-5+/t23-,28+,29-,30-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition against Growth factor receptor bound protein 2 binding using ELISA technique


J Med Chem 46: 244-54 (2003)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50118687
PNG
((R)-N-{1-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-pro...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C36H45N4O9P/c37-31(41)22-30(34(45)38-19-7-11-27-10-6-9-26-8-2-3-12-29(26)27)39-35(46)36(17-4-1-5-18-36)40-33(44)28(21-32(42)43)20-24-13-15-25(16-14-24)23-50(47,48)49/h2-3,6,8-10,12-16,28,30H,1,4-5,7,11,17-23H2,(H2,37,41)(H,38,45)(H,39,46)(H,40,44)(H,42,43)(H2,47,48,49)/t28-,30+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for Growth factor receptor bound protein 2 SH2 domain


Bioorg Med Chem Lett 12: 2781-4 (2002)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50085874
PNG
(2-{4-[(S)-2-(1-{(S)-2-Carbamoyl-1-[3-(5-methyl-ind...)
Show SMILES Cc1ccc2n(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C3(CCCCC3)NC(=O)[C@H](Cc3ccc(cc3)C(C(O)=O)C(O)=O)NC(=O)C(O)=O)ccc2c1
Show InChI InChI=1S/C37H44N6O11/c1-21-6-11-27-24(18-21)12-17-43(27)16-5-15-39-30(45)26(20-28(38)44)41-36(54)37(13-3-2-4-14-37)42-31(46)25(40-32(47)35(52)53)19-22-7-9-23(10-8-22)29(33(48)49)34(50)51/h6-12,17-18,25-26,29H,2-5,13-16,19-20H2,1H3,(H2,38,44)(H,39,45)(H,40,47)(H,41,54)(H,42,46)(H,48,49)(H,50,51)(H,52,53)/t25-,26-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Src homology (SH2) domain of Growth factor receptor bound protein 2 by ELISA binding assay


Bioorg Med Chem Lett 11: 1201-3 (2001)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50085874
PNG
(2-{4-[(S)-2-(1-{(S)-2-Carbamoyl-1-[3-(5-methyl-ind...)
Show SMILES Cc1ccc2n(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C3(CCCCC3)NC(=O)[C@H](Cc3ccc(cc3)C(C(O)=O)C(O)=O)NC(=O)C(O)=O)ccc2c1
Show InChI InChI=1S/C37H44N6O11/c1-21-6-11-27-24(18-21)12-17-43(27)16-5-15-39-30(45)26(20-28(38)44)41-36(54)37(13-3-2-4-14-37)42-31(46)25(40-32(47)35(52)53)19-22-7-9-23(10-8-22)29(33(48)49)34(50)51/h6-12,17-18,25-26,29H,2-5,13-16,19-20H2,1H3,(H2,38,44)(H,39,45)(H,40,47)(H,41,54)(H,42,46)(H,48,49)(H,50,51)(H,52,53)/t25-,26-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor bound protein 2 binding by ELISA assay method


J Med Chem 43: 911-20 (2000)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50124291
PNG
(3-[17-carbamoyl-32-carbamoylmethyl-20-(4-hydroxybe...)
Show SMILES CSCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)C(C)C
Show InChI InChI=1S/C53H77N12O19PS2/c1-27(2)20-35-49(76)62-36(22-30-8-12-32(13-9-30)84-85(81,82)83)50(77)60-33(14-15-44(71)72)47(74)63-38(23-40(54)67)52(79)65-45(28(3)4)53(80)57-24-42(69)58-34(17-19-86-5)48(75)61-37(21-29-6-10-31(66)11-7-29)51(78)64-39(46(55)73)25-87-26-43(70)56-18-16-41(68)59-35/h6-13,27-28,33-39,45,66H,14-26H2,1-5H3,(H2,54,67)(H2,55,73)(H,56,70)(H,57,80)(H,58,69)(H,59,68)(H,60,77)(H,61,75)(H,62,76)(H,63,74)(H,64,78)(H,65,79)(H,71,72)(H2,81,82,83)/t33-,34-,35-,36-,37-,38-,39-,45-/m0/s1
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n/an/a 8.26n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor-bound protein 2 (Grb2) SH2 domain binding by ELISA


Bioorg Med Chem Lett 13: 895-9 (2003)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50168317
PNG
(CHEMBL193281 | [(15R,20S)-10-[4-(Benzyl-hydroxy-ph...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(CP(O)(=O)Cc4ccccc4)cc3)ccc2c1
Show InChI InChI=1S/C45H54N5O8P/c1-30-13-18-39-35(23-30)19-22-50(39)27-33-11-8-12-36(34-16-14-32(15-17-34)29-59(57,58)28-31-9-4-2-5-10-31)37(24-41(52)53)42(54)49-45(20-6-3-7-21-45)44(56)48-38(25-40(46)51)43(55)47-26-33/h2,4-5,8-10,12-19,22-23,33,36-38H,3,6-7,11,20-21,24-29H2,1H3,(H2,46,51)(H,47,55)(H,48,56)(H,49,54)(H,52,53)(H,57,58)/b12-8+/t33-,36-,37+,38+/m1/s1
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n/an/a 8.40n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against growth factor receptor bound protein 2


J Med Chem 48: 3945-8 (2005)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50168316
PNG
(CHEMBL263328 | N-{4-[(7S,14R,18S)-18-Carbamoylmeth...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(NC(=O)C(O)=O)cc3)ccc2c1
Show InChI InChI=1S/C39H46N6O9/c1-23-8-13-31-26(18-23)14-17-45(31)22-24-6-5-7-28(25-9-11-27(12-10-25)42-36(51)37(52)53)29(19-33(47)48)34(49)44-39(15-3-2-4-16-39)38(54)43-30(20-32(40)46)35(50)41-21-24/h5,7-14,17-18,24,28-30H,2-4,6,15-16,19-22H2,1H3,(H2,40,46)(H,41,50)(H,42,51)(H,43,54)(H,44,49)(H,47,48)(H,52,53)/b7-5+/t24-,28-,29+,30+/m1/s1
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n/an/a 8.80n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against growth factor receptor bound protein 2


J Med Chem 48: 3945-8 (2005)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50072865
PNG
(CHEMBL55627 | N-[(S)-1-{1-[(S)-2-Carbamoyl-1-(3-na...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(CP(O)(O)=O)cc1)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C36H44N5O10P/c37-30(42)21-29(31(43)38-19-7-11-26-10-6-9-25-8-2-3-12-27(25)26)40-35(48)36(17-4-1-5-18-36)41-32(44)28(39-33(45)34(46)47)20-23-13-15-24(16-14-23)22-52(49,50)51/h2-3,6,8-10,12-16,28-29H,1,4-5,7,11,17-22H2,(H2,37,42)(H,38,43)(H,39,45)(H,40,48)(H,41,44)(H,46,47)(H2,49,50,51)/t28-,29-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for Growth factor receptor bound protein 2 SH2 domain


Bioorg Med Chem Lett 12: 2781-4 (2002)

More data for this
Ligand-Target Pair
Grb2-SH2


(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)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50072865
PNG
(CHEMBL55627 | N-[(S)-1-{1-[(S)-2-Carbamoyl-1-(3-na...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(CP(O)(O)=O)cc1)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C36H44N5O10P/c37-30(42)21-29(31(43)38-19-7-11-26-10-6-9-25-8-2-3-12-27(25)26)40-35(48)36(17-4-1-5-18-36)41-32(44)28(39-33(45)34(46)47)20-23-13-15-24(16-14-23)22-52(49,50)51/h2-3,6,8-10,12-16,28-29H,1,4-5,7,11,17-22H2,(H2,37,42)(H,38,43)(H,39,45)(H,40,48)(H,41,44)(H,46,47)(H2,49,50,51)/t28-,29-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro Growth factor receptor bound protein 2-binding affinity of the compound was determined in ELISA method


J Med Chem 47: 2166-9 (2004)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50300042
PNG
(4-[(2S)-2-{[(1S)-1-{[(1S)-1,2-dicarbamoylethyl]car...)
Show SMILES Cc1ccc(OC(C)(C)C(=O)N[C@@H](Cc2ccc(OP(O)(O)=O)cc2)C(=O)N[C@@](C)(Cc2ccc(OP(O)(O)=O)cc2)C(=O)N[C@@H](CC(N)=O)C(N)=O)c(c1)\N=N\c1ccccc1
Show InChI InChI=1S/C40H47N7O14P2/c1-24-10-19-33(30(20-24)47-46-27-8-6-5-7-9-27)59-39(2,3)37(51)44-32(21-25-11-15-28(16-12-25)60-62(53,54)55)36(50)45-40(4,38(52)43-31(35(42)49)22-34(41)48)23-26-13-17-29(18-14-26)61-63(56,57)58/h5-20,31-32H,21-23H2,1-4H3,(H2,41,48)(H2,42,49)(H,43,52)(H,44,51)(H,45,50)(H2,53,54,55)(H2,56,57,58)/b47-46+/t31-,32-,40-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



CNRS UMR 176

Curated by ChEMBL


Assay Description
Inhibition of Grb2 by ELISA


Eur J Med Chem 45: 244-55 (2010)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50072869
PNG
(CHEMBL331463 | Phosphoric acid mono-{4-[(S)-2-acet...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc1c(O)ccc2ccccc12
Show InChI InChI=1S/C35H44N5O10P/c1-22(41)38-28(20-23-11-14-25(15-12-23)50-51(47,48)49)33(45)40-35(17-5-2-6-18-35)34(46)39-29(21-31(36)43)32(44)37-19-7-10-27-26-9-4-3-8-24(26)13-16-30(27)42/h3-4,8-9,11-16,28-29,42H,2,5-7,10,17-21H2,1H3,(H2,36,43)(H,37,44)(H,38,41)(H,39,46)(H,40,45)(H2,47,48,49)/t28-,29-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Grb2 SH2 domain binding


J Med Chem 42: 25-35 (1999)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50080832
PNG
(CHEMBL334099 | [1-[1-(1,2-Dicarbamoyl-ethylcarbamo...)
Show SMILES CC(Cc1ccc(OP(O)(O)=O)cc1)(NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1)C(=O)NC(CC(N)=O)C(N)=O
Show InChI InChI=1S/C31H38N6O14P2/c1-31(29(41)35-24(27(34)39)15-26(33)38,16-19-7-11-23(12-8-19)51-53(46,47)48)37-28(40)25(14-18-5-9-22(10-6-18)50-52(43,44)45)36-30(42)49-17-20-3-2-4-21(32)13-20/h2-13,24-25H,14-17,32H2,1H3,(H2,33,38)(H2,34,39)(H,35,41)(H,36,42)(H,37,40)(H2,43,44,45)(H2,46,47,48)
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n/an/a 11n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The compound was evaluated for its potency to inhibit the interaction between Growth factor receptor bound protein 2 and phosphotyrosine-containing p...


J Med Chem 42: 3737-41 (1999)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50099450
PNG
(CHEMBL19378 | {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)NCCCc1ccc2cccc(O)c2c1
Show InChI InChI=1S/C36H46N5O9P/c1-23(42)39-29(20-25-10-12-26(13-11-25)22-51(48,49)50)34(46)41-36(16-3-2-4-17-36)35(47)40-30(21-32(37)44)33(45)38-18-6-7-24-14-15-27-8-5-9-31(43)28(27)19-24/h5,8-15,19,29-30,43H,2-4,6-7,16-18,20-22H2,1H3,(H2,37,44)(H,38,45)(H,39,42)(H,40,47)(H,41,46)(H2,48,49,50)/t29-,30-/m0/s1
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n/an/a 11.1n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Src homology (SH2) domain of Growth factor receptor bound protein 2 by ELISA binding assay


Bioorg Med Chem Lett 11: 1201-3 (2001)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50085876
PNG
(2-{4-[2-Acetylamino-2-(1-{2-carbamoyl-1-[3-(5-meth...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(cc1)C(C(O)=O)C(O)=O)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCn1ccc2cc(C)ccc12
Show InChI InChI=1S/C37H46N6O9/c1-22-7-12-29-26(19-22)13-18-43(29)17-6-16-39-32(46)28(21-30(38)45)41-36(52)37(14-4-3-5-15-37)42-33(47)27(40-23(2)44)20-24-8-10-25(11-9-24)31(34(48)49)35(50)51/h7-13,18-19,27-28,31H,3-6,14-17,20-21H2,1-2H3,(H2,38,45)(H,39,46)(H,40,44)(H,41,52)(H,42,47)(H,48,49)(H,50,51)/t27-,28-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor bound protein 2 binding by ELISA assay method


J Med Chem 43: 911-20 (2000)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50143944
PNG
(2-[4-((E)-(9S,10S,14S,18S)-18-Carbamoylmethyl-9-ca...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(cc1)C(C([O-])=O)C([O-])=O
Show InChI InChI=1S/C41H46N4O10/c42-33(46)22-32-37(50)43-23-24(20-28-11-7-10-25-9-2-3-12-29(25)28)8-6-13-30(26-14-16-27(17-15-26)35(38(51)52)39(53)54)31(21-34(47)48)36(49)45-41(40(55)44-32)18-4-1-5-19-41/h2-3,6-7,9-17,24,30-32,35H,1,4-5,8,18-23H2,(H2,42,46)(H,43,50)(H,44,55)(H,45,49)(H,47,48)(H,51,52)(H,53,54)/p-2/b13-6+/t24-,30+,31-,32-/m0/s1
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n/an/a 12.1n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro Growth factor receptor bound protein 2-binding affinity of the compound was determined in in surface plasmon resonance (SPR) method


J Med Chem 47: 2166-9 (2004)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50139763
PNG
(CHEMBL306657 | [(E)-(9S,10S,14S,18S)-18-Carbamoylm...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C39H47N4O9P/c40-34(44)22-33-37(48)41-23-26(20-29-11-7-10-27-9-2-3-12-30(27)29)8-6-13-31(28-16-14-25(15-17-28)24-53(50,51)52)32(21-35(45)46)36(47)43-39(38(49)42-33)18-4-1-5-19-39/h2-3,6-7,9-17,26,31-33H,1,4-5,8,18-24H2,(H2,40,44)(H,41,48)(H,42,49)(H,43,47)(H,45,46)(H2,50,51,52)/b13-6+/t26-,31+,32-,33-/m0/s1
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n/an/a 12.1n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro Growth factor receptor bound protein 2-binding affinity of the compound was determined in in surface plasmon resonance (SPR) method


J Med Chem 47: 2166-9 (2004)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50124298
PNG
(2-[9-(4-phosphonooxybenzyl)-21-carbamoyl-24-(4-hyd...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)C2(CCCCC2)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C53H77N12O17PS/c1-27(2)20-35-47(73)61-37(22-32-12-16-34(17-13-32)82-83(79,80)81)50(76)65-53(18-8-7-9-19-53)52(78)63-38(23-40(54)67)49(75)64-43(28(3)4)51(77)56-24-41(68)57-29(5)45(71)60-36(21-31-10-14-33(66)15-11-31)48(74)62-39(44(55)70)25-84-26-42(69)58-30(6)46(72)59-35/h10-17,27-30,35-39,43,66H,7-9,18-26H2,1-6H3,(H2,54,67)(H2,55,70)(H,56,77)(H,57,68)(H,58,69)(H,59,72)(H,60,71)(H,61,73)(H,62,74)(H,63,78)(H,64,75)(H,65,76)(H2,79,80,81)/t29-,30-,35-,36-,37-,38-,39-,43-/m0/s1
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n/an/a 13.3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor-bound protein 2 (Grb2) SH2 domain binding by ELISA


Bioorg Med Chem Lett 13: 895-9 (2003)

More data for this
Ligand-Target Pair
Grb2-SH2


(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)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50124294
PNG
(3-[4-(4-phosphonooxybenzyl)-16-carbamoyl-31-carbam...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H81N12O19PS/c1-27(2)19-35-49(77)63-36(21-31-11-15-33(16-12-31)86-87(83,84)85)50(78)61-34(17-18-44(72)73)48(76)65-38(22-41(56)69)52(80)67-45(28(3)4)54(82)58-24-42(70)60-39(23-55(6,7)8)53(81)64-37(20-30-9-13-32(68)14-10-30)51(79)66-40(46(57)74)25-88-26-43(71)59-29(5)47(75)62-35/h9-16,27-29,34-40,45,68H,17-26H2,1-8H3,(H2,56,69)(H2,57,74)(H,58,82)(H,59,71)(H,60,70)(H,61,78)(H,62,75)(H,63,77)(H,64,81)(H,65,76)(H,66,79)(H,67,80)(H,72,73)(H2,83,84,85)/t29-,34-,35-,36-,37-,38-,39-,40-,45-/m0/s1
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n/an/a 14.5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor-bound protein 2 (Grb2) SH2 domain binding by ELISA


Bioorg Med Chem Lett 13: 895-9 (2003)

More data for this
Ligand-Target Pair
Grb2-SH2


(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 14.7n/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)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50139762
PNG
(CHEMBL349373 | [(16R,20S)-18-((S)-Carbamoylmethyl)...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(CP(O)(O)=O)cc3)ccc2c1
Show InChI InChI=1S/C38H48N5O9P/c1-24-8-13-32-28(18-24)14-17-43(32)22-26-6-5-7-29(27-11-9-25(10-12-27)23-53(50,51)52)30(19-34(45)46)35(47)42-38(15-3-2-4-16-38)37(49)41-31(20-33(39)44)36(48)40-21-26/h5,7-14,17-18,26,29-31H,2-4,6,15-16,19-23H2,1H3,(H2,39,44)(H,40,48)(H,41,49)(H,42,47)(H,45,46)(H2,50,51,52)/b7-5+/t26-,29-,30+,31+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against growth factor receptor bound protein 2


J Med Chem 48: 3945-8 (2005)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50072861
PNG
(CHEMBL19417 | [(S)-4-(2-Acetylamino-2-{1-[2-carbam...)
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)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C36H46N5O8P/c1-24(42)39-30(21-25-14-16-26(17-15-25)23-50(47,48)49)34(45)41-36(18-5-2-6-19-36)35(46)40-31(22-32(37)43)33(44)38-20-8-12-28-11-7-10-27-9-3-4-13-29(27)28/h3-4,7,9-11,13-17,30-31H,2,5-6,8,12,18-23H2,1H3,(H2,37,43)(H,38,44)(H,39,42)(H,40,46)(H,41,45)(H2,47,48,49)/t30-,31-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor bound protein 2 binding by ELISA assay method


J Med Chem 43: 911-20 (2000)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50102025
PNG
(4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAP...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C37H45N4O7P/c38-33(42)22-32-35(44)39-23-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)24-49(46,47)48)21-34(43)41-37(36(45)40-32)18-4-1-5-19-37/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,38,42)(H,39,44)(H,40,45)(H,41,43)(H2,46,47,48)/b11-6+/t26-,29-,32-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity in extracellular ELISA-based assay for Grb2 SH2 domain


J Med Chem 47: 788-91 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Grb2-SH2


(Homo sapiens (human))
BDBM50072865
PNG
(CHEMBL55627 | N-[(S)-1-{1-[(S)-2-Carbamoyl-1-(3-na...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(CP(O)(O)=O)cc1)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C36H44N5O10P/c37-30(42)21-29(31(43)38-19-7-11-26-10-6-9-25-8-2-3-12-27(25)26)40-35(48)36(17-4-1-5-18-36)41-32(44)28(39-33(45)34(46)47)20-23-13-15-24(16-14-23)22-52(49,50)51/h2-3,6,8-10,12-16,28-29H,1,4-5,7,11,17-22H2,(H2,37,42)(H,38,43)(H,39,45)(H,40,48)(H,41,44)(H,46,47)(H2,49,50,51)/t28-,29-/m0/s1
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National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor bound protein 2 SH2 domain binding in ELISA


Bioorg Med Chem Lett 11: 1889-92 (2001)

More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50102025
PNG
(4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAP...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C37H45N4O7P/c38-33(42)22-32-35(44)39-23-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)24-49(46,47)48)21-34(43)41-37(36(45)40-32)18-4-1-5-19-37/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,38,42)(H,39,44)(H,40,45)(H,41,43)(H2,46,47,48)/b11-6+/t26-,29-,32-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor bound protein 2 SH2 domain binding in ELISA


Bioorg Med Chem Lett 11: 1889-92 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Grb2-SH2


(Homo sapiens (human))
BDBM50122797
PNG
(CHEMBL406148 | i{4-[18-Carbamoylmethyl-14-(2,3-dih...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@@H](CC2=c3ccccc3=CCC2)CNC1=O)c1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C37H47N4O7P/c38-33(42)22-32-35(44)39-23-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)24-49(46,47)48)21-34(43)41-37(36(45)40-32)18-4-1-5-19-37/h2-3,6,9-11,13-17,26,29,32H,1,4-5,7-8,12,18-24H2,(H2,38,42)(H,39,44)(H,40,45)(H,41,43)(H2,46,47,48)/b11-6+/t26-,29-,32-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition against Growth factor receptor bound protein 2 binding using ELISA technique


J Med Chem 46: 244-54 (2003)

More data for this
Ligand-Target Pair
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