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26 similar compounds to monomer 50294412

Compile data set for download or QSAR
Wt: 1277.4
BDBM50124301
Wt: 1217.2
BDBM50124298
Wt: 1299.4
BDBM50124293
Wt: 1277.3
BDBM50124294
Wt: 1277.4
BDBM50124295
Wt: 1307.4
BDBM50124296
Wt: 1311.4
BDBM50129417
Wt: 1323.4
BDBM50129420
Wt: 1033.1
BDBM50147392
Wt: 1033.1
BDBM50147395
Wt: 934.0
BDBM50183427
Wt: 934.0
BDBM50183434
Wt: 839.8
BDBM50294415
Wt: 805.7
BDBM50294417
Wt: 741.7
BDBM50294418
Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50124301,50124298,50124293,50124294,50124295,50124296,50129417,50129420,50147392,50147395,50183427,50183434,50294415,50294417,50294418   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Grb2-SH2


(Homo sapiens (Human))
BDBM50129417
PNG
((R)-cyclic ((N-AC)Gla Leu Tyr Ach Asn Val Gly NPG ...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)CS(=O)C[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(O)cc2)NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C60H86N12O19S/c1-30(2)21-37-49(79)68-39(23-33-13-17-35(74)18-14-33)54(84)72-60(19-9-8-10-20-60)58(90)70-41(25-44(61)75)52(82)71-47(31(3)4)55(85)63-27-45(76)65-42(26-59(5,6)7)53(83)67-38(22-32-11-15-34(73)16-12-32)50(80)69-43(48(62)78)28-92(91)29-46(77)64-40(51(81)66-37)24-36(56(86)87)57(88)89/h11-18,30-31,36-43,47,73-74H,8-10,19-29H2,1-7H3,(H2,61,75)(H2,62,78)(H,63,85)(H,64,77)(H,65,76)(H,66,81)(H,67,83)(H,68,79)(H,69,80)(H,70,90)(H,71,82)(H,72,84)(H,86,87)(H,88,89)/t37-,38+,39+,40+,41+,42-,43+,47-,92?/m1/s1
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n/an/a 747n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Binding affinity against Growth factor receptor bound protein 2 using ELISA assay


Bioorg Med Chem Lett 13: 2173-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00385-8
BindingDB Entry DOI: 10.7270/Q25Q4VGJ
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))
BDBM50129417
PNG
((R)-cyclic ((N-AC)Gla Leu Tyr Ach Asn Val Gly NPG ...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)CS(=O)C[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(O)cc2)NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C60H86N12O19S/c1-30(2)21-37-49(79)68-39(23-33-13-17-35(74)18-14-33)54(84)72-60(19-9-8-10-20-60)58(90)70-41(25-44(61)75)52(82)71-47(31(3)4)55(85)63-27-45(76)65-42(26-59(5,6)7)53(83)67-38(22-32-11-15-34(73)16-12-32)50(80)69-43(48(62)78)28-92(91)29-46(77)64-40(51(81)66-37)24-36(56(86)87)57(88)89/h11-18,30-31,36-43,47,73-74H,8-10,19-29H2,1-7H3,(H2,61,75)(H2,62,78)(H,63,85)(H,64,77)(H,65,76)(H,66,81)(H,67,83)(H,68,79)(H,69,80)(H,70,90)(H,71,82)(H,72,84)(H,86,87)(H,88,89)/t37-,38+,39+,40+,41+,42-,43+,47-,92?/m1/s1
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n/an/a 75n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Binding affinity against Growth factor receptor bound protein 2 using ELISA assay


Bioorg Med Chem Lett 13: 2173-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00385-8
BindingDB Entry DOI: 10.7270/Q25Q4VGJ
More data for this
Ligand-Target Pair
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 7.70n/an/an/an/an/an/a



National Cancer Institute-Frederick

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)


Article DOI: 10.1016/s0960-894x(03)00015-5
BindingDB Entry DOI: 10.7270/Q2SF2VH2
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50124295
PNG
(2-[9-(4-phosphonooxybenzyl)-22-carbamoyl-25-(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)CCNC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)C(C)C
Show InChI InChI=1S/C55H81N12O17PS2/c1-30(2)23-37-49(75)63-39(25-33-11-15-35(16-12-33)84-85(81,82)83)52(78)67-55(19-7-6-8-20-55)54(80)65-40(26-42(56)69)51(77)66-46(31(3)4)53(79)59-27-44(71)60-36(18-22-86-5)48(74)62-38(24-32-9-13-34(68)14-10-32)50(76)64-41(47(57)73)28-87-29-45(72)58-21-17-43(70)61-37/h9-16,30-31,36-41,46,68H,6-8,17-29H2,1-5H3,(H2,56,69)(H2,57,73)(H,58,72)(H,59,79)(H,60,71)(H,61,70)(H,62,74)(H,63,75)(H,64,76)(H,65,80)(H,66,77)(H,67,78)(H2,81,82,83)/t36-,37-,38-,39-,40-,41-,46-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



National Cancer Institute-Frederick

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)


Article DOI: 10.1016/s0960-894x(03)00015-5
BindingDB Entry DOI: 10.7270/Q2SF2VH2
More data for this
Ligand-Target Pair
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 1.70n/an/an/an/an/an/a



National Cancer Institute-Frederick

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)


Article DOI: 10.1016/s0960-894x(03)00015-5
BindingDB Entry DOI: 10.7270/Q2SF2VH2
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 13n/an/an/an/an/an/a



National Cancer Institute-Frederick

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)


Article DOI: 10.1016/s0960-894x(03)00015-5
BindingDB Entry DOI: 10.7270/Q2SF2VH2
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 3.80n/an/an/an/an/an/a



National Cancer Institute-Frederick

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)


Article DOI: 10.1016/s0960-894x(03)00015-5
BindingDB Entry DOI: 10.7270/Q2SF2VH2
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50129420
PNG
((R)-cyclic ((N-AC)Gla Leu Tyr Ach Asn Val Gly Cha ...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C2(CCCCC2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(C)C)C1CCCCC1)C(N)=O
Show InChI InChI=1S/C61H86N12O19S/c1-31(2)23-39-51(80)67-41(25-34-15-19-37(75)20-16-34)55(84)73-61(21-9-6-10-22-61)60(91)70-43(27-45(62)76)54(83)72-48(32(3)4)56(85)64-28-46(77)71-49(35-11-7-5-8-12-35)57(86)68-40(24-33-13-17-36(74)18-14-33)52(81)69-44(50(63)79)29-93(92)30-47(78)65-42(53(82)66-39)26-38(58(87)88)59(89)90/h13-20,31-32,35,38-44,48-49,74-75H,5-12,21-30H2,1-4H3,(H2,62,76)(H2,63,79)(H,64,85)(H,65,78)(H,66,82)(H,67,80)(H,68,86)(H,69,81)(H,70,91)(H,71,77)(H,72,83)(H,73,84)(H,87,88)(H,89,90)/t39-,40+,41+,42+,43+,44+,48-,49-,93?/m1/s1
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n/an/a 1.41E+3n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Binding affinity against Growth factor receptor bound protein 2 using ELISA assay


Bioorg Med Chem Lett 13: 2173-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00385-8
BindingDB Entry DOI: 10.7270/Q25Q4VGJ
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50147392
PNG
((R)-21-Carbamoyl-33-carbamoylmethyl-15-((S)-3-carb...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)CS(=O)C[C@H](NC(=O)CCCCNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)C2(CCCCC2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C47H72N10O14S/c1-26(2)21-31-42(66)54-32(22-28-14-16-29(58)17-15-28)44(68)57-47(18-7-5-8-19-47)46(70)55-33(23-35(48)59)43(67)56-39(27(3)4)45(69)50-20-9-6-12-36(60)52-34(40(49)64)24-72(71)25-37(61)51-30(41(65)53-31)11-10-13-38(62)63/h14-17,26-27,30-34,39,58H,5-13,18-25H2,1-4H3,(H2,48,59)(H2,49,64)(H,50,69)(H,51,61)(H,52,60)(H,53,65)(H,54,66)(H,55,70)(H,56,67)(H,57,68)(H,62,63)/t30-,31-,32-,33-,34-,39-,72?/m0/s1
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n/an/a 9.80E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Competitive binding affinity against Growth factor receptor bound protein 2 was assessed using SHC(pTyr-317) phospopeptide in biacore surface plasmon...


Bioorg Med Chem Lett 14: 3205-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.103
BindingDB Entry DOI: 10.7270/Q28K78J3
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50147395
PNG
((S)-21-Carbamoyl-33-carbamoylmethyl-15-((S)-3-carb...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)CS(=O)C[C@@H](NC(=O)CCCCNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)C2(CCCCC2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C47H72N10O14S/c1-26(2)21-31-42(66)54-32(22-28-14-16-29(58)17-15-28)44(68)57-47(18-7-5-8-19-47)46(70)55-33(23-35(48)59)43(67)56-39(27(3)4)45(69)50-20-9-6-12-36(60)52-34(40(49)64)24-72(71)25-37(61)51-30(41(65)53-31)11-10-13-38(62)63/h14-17,26-27,30-34,39,58H,5-13,18-25H2,1-4H3,(H2,48,59)(H2,49,64)(H,50,69)(H,51,61)(H,52,60)(H,53,65)(H,54,66)(H,55,70)(H,56,67)(H,57,68)(H,62,63)/t30-,31-,32-,33-,34+,39-,72?/m0/s1
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n/an/a 8.45E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Competitive binding affinity against Growth factor receptor bound protein 2 was assessed using SHC(pTyr-317) phospopeptide in biacore surface plasmon...


Bioorg Med Chem Lett 14: 3205-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.103
BindingDB Entry DOI: 10.7270/Q28K78J3
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50183427
PNG
(CHEMBL264656 | cyclo-(CH2-CO-Adi-Leu-Tyr-Ac6c-Asn-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)CS(=O)C[C@@H](NC(=O)CCCCNC(=O)[C@H](CC(N)=O)NC(=O)C2(CCCCC2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O
Show InChI InChI=1S/C42H63N9O13S/c1-24(2)19-28-39(61)49-29(20-25-12-14-26(52)15-13-25)40(62)51-42(16-5-3-6-17-42)41(63)50-30(21-32(43)53)37(59)45-18-7-4-10-33(54)47-31(36(44)58)22-65(64)23-34(55)46-27(38(60)48-28)9-8-11-35(56)57/h12-15,24,27-31,52H,3-11,16-23H2,1-2H3,(H2,43,53)(H2,44,58)(H,45,59)(H,46,55)(H,47,54)(H,48,60)(H,49,61)(H,50,63)(H,51,62)(H,56,57)/t27-,28-,29-,30-,31+,65?/m0/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



Graduate School of the Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant GRB2-SH2 domain


J Med Chem 49: 1585-96 (2006)


Article DOI: 10.1021/jm050910x
BindingDB Entry DOI: 10.7270/Q23R0SGX
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50183434
PNG
(CHEMBL379915 | cyclo-(CH2-CO-Adi-Leu-Tyr-Ac6c-Asn-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)CS(=O)C[C@H](NC(=O)CCCCNC(=O)[C@H](CC(N)=O)NC(=O)C2(CCCCC2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O
Show InChI InChI=1S/C42H63N9O13S/c1-24(2)19-28-39(61)49-29(20-25-12-14-26(52)15-13-25)40(62)51-42(16-5-3-6-17-42)41(63)50-30(21-32(43)53)37(59)45-18-7-4-10-33(54)47-31(36(44)58)22-65(64)23-34(55)46-27(38(60)48-28)9-8-11-35(56)57/h12-15,24,27-31,52H,3-11,16-23H2,1-2H3,(H2,43,53)(H2,44,58)(H,45,59)(H,46,55)(H,47,54)(H,48,60)(H,49,61)(H,50,63)(H,51,62)(H,56,57)/t27-,28-,29-,30-,31-,65?/m0/s1
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n/an/a 7.70E+4n/an/an/an/an/an/a



Graduate School of the Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant GRB2-SH2 domain


J Med Chem 49: 1585-96 (2006)


Article DOI: 10.1021/jm050910x
BindingDB Entry DOI: 10.7270/Q23R0SGX
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50294415
PNG
(4-{[(9S,15R,18S,21S)-15-carbamoyl-21-(carbamoylmet...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O
Show InChI InChI=1S/C38H46N7O11PS/c39-31(46)19-29-35(50)42-27(18-23-8-11-24-6-2-3-7-25(24)16-23)34(49)43-30(33(40)48)20-58-21-32(47)41-28(17-22-9-12-26(13-10-22)56-57(53,54)55)36(51)45-38(37(52)44-29)14-4-1-5-15-38/h2-3,6-13,16,27-30H,1,4-5,14-15,17-21H2,(H2,39,46)(H2,40,48)(H,41,47)(H,42,50)(H,43,49)(H,44,52)(H,45,51)(H2,53,54,55)/t27-,28-,29-,30-/m0/s1
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n/an/an/a 2.71E+3n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged recombinant Grb2 SH2 domain by Biacore assay


Bioorg Med Chem Lett 19: 2693-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.134
BindingDB Entry DOI: 10.7270/Q2862HC2
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50294417
PNG
(4-{[(9S,15R,18S,21S)-15-carbamoyl-21-(carbamoylmet...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O
Show InChI InChI=1S/C34H44N7O12PS/c35-27(43)16-25-31(47)38-23(14-19-4-8-21(42)9-5-19)30(46)39-26(29(36)45)17-55-18-28(44)37-24(15-20-6-10-22(11-7-20)53-54(50,51)52)32(48)41-34(33(49)40-25)12-2-1-3-13-34/h4-11,23-26,42H,1-3,12-18H2,(H2,35,43)(H2,36,45)(H,37,44)(H,38,47)(H,39,46)(H,40,49)(H,41,48)(H2,50,51,52)/t23-,24-,25-,26-/m0/s1
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n/an/an/a 1.06E+3n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged recombinant Grb2 SH2 domain by Biacore assay


Bioorg Med Chem Lett 19: 2693-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.134
BindingDB Entry DOI: 10.7270/Q2862HC2
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50294418
PNG
(4-{[(9S,15R,18S,21S)-15-carbamoyl-21-(carbamoylmet...)
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)CSC[C@H](NC1=O)C(N)=O
Show InChI InChI=1S/C30H44N7O11PS/c1-16(2)24-28(43)34-21(25(32)40)14-50-15-23(39)33-19(12-17-6-8-18(9-7-17)48-49(45,46)47)27(42)37-30(10-4-3-5-11-30)29(44)35-20(13-22(31)38)26(41)36-24/h6-9,16,19-21,24H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,40)(H,33,39)(H,34,43)(H,35,44)(H,36,41)(H,37,42)(H2,45,46,47)/t19-,20-,21-,24-/m0/s1
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n/an/an/a 1.42E+3n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged recombinant Grb2 SH2 domain by Biacore assay


Bioorg Med Chem Lett 19: 2693-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.134
BindingDB Entry DOI: 10.7270/Q2862HC2
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))
BDBM50129420
PNG
((R)-cyclic ((N-AC)Gla Leu Tyr Ach Asn Val Gly Cha ...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C2(CCCCC2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(C)C)C1CCCCC1)C(N)=O
Show InChI InChI=1S/C61H86N12O19S/c1-31(2)23-39-51(80)67-41(25-34-15-19-37(75)20-16-34)55(84)73-61(21-9-6-10-22-61)60(91)70-43(27-45(62)76)54(83)72-48(32(3)4)56(85)64-28-46(77)71-49(35-11-7-5-8-12-35)57(86)68-40(24-33-13-17-36(74)18-14-33)52(81)69-44(50(63)79)29-93(92)30-47(78)65-42(53(82)66-39)26-38(58(87)88)59(89)90/h13-20,31-32,35,38-44,48-49,74-75H,5-12,21-30H2,1-4H3,(H2,62,76)(H2,63,79)(H,64,85)(H,65,78)(H,66,82)(H,67,80)(H,68,86)(H,69,81)(H,70,91)(H,71,77)(H,72,83)(H,73,84)(H,87,88)(H,89,90)/t39-,40+,41+,42+,43+,44+,48-,49-,93?/m1/s1
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n/an/a 149n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Binding affinity against Growth factor receptor bound protein 2 using ELISA assay


Bioorg Med Chem Lett 13: 2173-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00385-8
BindingDB Entry DOI: 10.7270/Q25Q4VGJ
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 15n/an/an/an/an/an/a



National Cancer Institute-Frederick

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)


Article DOI: 10.1016/s0960-894x(03)00015-5
BindingDB Entry DOI: 10.7270/Q2SF2VH2
More data for this
Ligand-Target Pair