Compile Data Set for Download or QSAR
Found 71 of kd for UniProtKB: P62993
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50139764(5-Methylindolyl derivative | CHEMBL423988)
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)/p-3/b7-5+/t26-,29-,30+,31+/m1/s1
Affinity DataKd:  0.0750nMAssay Description:In vitro binding affinity for Grb2 SH2 domainMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50139762(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
Affinity DataKd:  0.0930nMAssay Description:In vitro binding affinity for Grb2 SH2 domainMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50161189((S)-4-{5-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-pro...)
Show SMILES C[C@@]1(Cc2ccc(cc2)P(O)(O)=O)NC(=O)CC(\C=C\C[C@@H](Cc2cccc3ccccc23)CNC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C40H46N4O10P2/c1-40(23-26-14-18-33(19-15-26)56(52,53)54)39(48)43-35(22-36(41)45)38(47)42-24-28(20-32-10-5-8-30-7-2-3-11-34(30)32)6-4-9-31(21-37(46)44-40)29-16-12-27(13-17-29)25-55(49,50)51/h2-5,7-19,28,31,35H,6,20-25H2,1H3,(H2,41,45)(H,42,47)(H,43,48)(H,44,46)(H2,49,50,51)(H2,52,53,54)/b9-4+/t28-,31?,35-,40-/m0/s1
Affinity DataKd:  0.0970nMAssay Description:In vitro binding affinity for growth factor receptor bound protein 2 SH2 domain from human breast cancer cellsMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50193153(({4-[(2S)-2-[(1-{[(1S)-2-carbamoyl-1-({3-[1-({[(1S...)
Show SMILES CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(CP(O)(O)=O)cc1)NC(=O)Cn1cc(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C2(CCCCC2)NC(=O)[C@H](Cc2ccc(CP(O)(O)=O)cc2)NC(C)=O)nn1
Show InChI InChI=1S/C56H83N13O16P2/c1-3-4-11-26-59-49(74)44(30-46(57)71)63-54(79)56(24-9-6-10-25-56)66-52(77)43(29-38-16-20-40(21-17-38)35-87(83,84)85)62-48(73)33-69-32-41(67-68-69)13-12-27-60-50(75)45(31-47(58)72)64-53(78)55(22-7-5-8-23-55)65-51(76)42(61-36(2)70)28-37-14-18-39(19-15-37)34-86(80,81)82/h14-21,32,42-45H,3-13,22-31,33-35H2,1-2H3,(H2,57,71)(H2,58,72)(H,59,74)(H,60,75)(H,61,70)(H,62,73)(H,63,79)(H,64,78)(H,65,76)(H,66,77)(H2,80,81,82)(H2,83,84,85)/t42-,43-,44-,45-/m0/s1
Affinity DataKd:  1.10nMAssay Description:Binding affinity to Grb2-SH2 domainMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50139762(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
Affinity DataKd:  1.47nMAssay Description:Dissociation constant value against growth factor receptor bound protein 2More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50193151(({4-[(5'S,11'S,24'S,30'S)-11',30'-bis(carbamoylmet...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@H](Cc2ccc(CP(O)(O)=O)cc2)NC(=O)Cn2cc(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C3(CCCCC3)NC(=O)[C@H](Cc3ccc(CP(O)(O)=O)cc3)NC(=O)Cn3cc(CCCNC1=O)nn3)nn2
Show InChI InChI=1S/C56H78N16O16P2/c57-45(73)27-43-49(77)59-23-7-9-39-30-72(70-68-39)32-48(76)62-42(26-36-13-17-38(18-14-36)34-90(86,87)88)52(80)66-56(21-5-2-6-22-56)54(82)64-44(28-46(58)74)50(78)60-24-8-10-40-29-71(69-67-40)31-47(75)61-41(25-35-11-15-37(16-12-35)33-89(83,84)85)51(79)65-55(53(81)63-43)19-3-1-4-20-55/h11-18,29-30,41-44H,1-10,19-28,31-34H2,(H2,57,73)(H2,58,74)(H,59,77)(H,60,78)(H,61,75)(H,62,76)(H,63,81)(H,64,82)(H,65,79)(H,66,80)(H2,83,84,85)(H2,86,87,88)/t41-,42-,43-,44-/m0/s1
Affinity DataKd:  1.80nMAssay Description:Binding affinity to Grb2-SH2 domainMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50161189((S)-4-{5-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-pro...)
Show SMILES C[C@@]1(Cc2ccc(cc2)P(O)(O)=O)NC(=O)CC(\C=C\C[C@@H](Cc2cccc3ccccc23)CNC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C40H46N4O10P2/c1-40(23-26-14-18-33(19-15-26)56(52,53)54)39(48)43-35(22-36(41)45)38(47)42-24-28(20-32-10-5-8-30-7-2-3-11-34(30)32)6-4-9-31(21-37(46)44-40)29-16-12-27(13-17-29)25-55(49,50)51/h2-5,7-19,28,31,35H,6,20-25H2,1H3,(H2,41,45)(H,42,47)(H,43,48)(H,44,46)(H2,49,50,51)(H2,52,53,54)/b9-4+/t28-,31?,35-,40-/m0/s1
Affinity DataKd:  2.28nMAssay Description:In vitro binding affinity for growth factor receptor bound protein 2 SH2 domain from human breast cancer cellsMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50080832(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)
Affinity DataKd:  3nMAssay Description:The copound was tested on a LS250B Perkin-Elmer fluorimeter for Growth factor receptor bound protein 2 equilibrium constant(Kd) by the Michaelis-Ment...More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50168312(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
Affinity DataKd:  3.62nMAssay Description:Dissociation constant value against growth factor receptor bound protein 2More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50161189((S)-4-{5-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-pro...)
Show SMILES C[C@@]1(Cc2ccc(cc2)P(O)(O)=O)NC(=O)CC(\C=C\C[C@@H](Cc2cccc3ccccc23)CNC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C40H46N4O10P2/c1-40(23-26-14-18-33(19-15-26)56(52,53)54)39(48)43-35(22-36(41)45)38(47)42-24-28(20-32-10-5-8-30-7-2-3-11-34(30)32)6-4-9-31(21-37(46)44-40)29-16-12-27(13-17-29)25-55(49,50)51/h2-5,7-19,28,31,35H,6,20-25H2,1H3,(H2,41,45)(H,42,47)(H,43,48)(H,44,46)(H2,49,50,51)(H2,52,53,54)/b9-4+/t28-,31?,35-,40-/m0/s1
Affinity DataKd:  4.30nMAssay Description:In vitro binding affinity for growth factor receptor bound protein 2 SH2 domain from human breast cancer cellsMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50489113(CHEMBL2296610)
Show SMILES CC(C)(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C37H41N5O11/c1-37(2,35(51)40-29(34(49)50)18-30(38)44)42-33(48)28(17-20-11-13-21(43)14-12-20)39-32(47)27(15-16-31(45)46)41-36(52)53-19-26-24-9-5-3-7-22(24)23-8-4-6-10-25(23)26/h3-14,26-29,43H,15-19H2,1-2H3,(H2,38,44)(H,39,47)(H,40,51)(H,41,52)(H,42,48)(H,45,46)(H,49,50)/t27-,28-,29-/m0/s1
Affinity DataKd:  6.30nMAssay Description:Binding affinity to Grb2-SH2 (unknown origin) by surface plasmon resonance analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50161191((S)-4-{2-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-pro...)
Show SMILES NC(=O)C[C@H](NC(=O)CCCCNC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C34H43N4O9P/c35-30(39)21-29(34(44)37-18-6-10-26-9-5-8-25-7-1-2-11-28(25)26)38-31(40)12-3-4-17-36-33(43)27(20-32(41)42)19-23-13-15-24(16-14-23)22-48(45,46)47/h1-2,5,7-9,11,13-16,27,29H,3-4,6,10,12,17-22H2,(H2,35,39)(H,36,43)(H,37,44)(H,38,40)(H,41,42)(H2,45,46,47)/t27-,29+/m1/s1
Affinity DataKd:  14.8nMAssay Description:In vitro binding affinity for growth factor receptor bound protein 2 SH2 domain from human breast cancer cellsMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50168318(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
Affinity DataKd:  16.2nMAssay Description:Dissociation constant value against growth factor receptor bound protein 2More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50087242(CHEMBL422705 | Pro-Ser-pTyr-Val-Asn-Val-Gln-Asn)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C40H62N11O17P/c1-18(2)31(38(61)45-23(11-12-28(41)53)34(57)48-26(40(63)64)16-30(43)55)51-36(59)25(15-29(42)54)47-39(62)32(19(3)4)50-35(58)24(14-20-7-9-21(10-8-20)68-69(65,66)67)46-37(60)27(17-52)49-33(56)22-6-5-13-44-22/h7-10,18-19,22-27,31-32,44,52H,5-6,11-17H2,1-4H3,(H2,41,53)(H2,42,54)(H2,43,55)(H,45,61)(H,46,60)(H,47,62)(H,48,57)(H,49,56)(H,50,58)(H,51,59)(H,63,64)(H2,65,66,67)/t22-,23-,24-,25-,26-,27-,31-,32-/m0/s1
Affinity DataKd:  18nMAssay Description:Dissociation constant of compound was determined from affinity of compound towards Growth factor receptor bound protein 2 measured by fluorescenceMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50118687((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
Affinity DataKd:  23.8nM Kon:  0.0991M-1s-1 Koff:  4.18E+6s-1Assay Description:Apparent dissociation constant for human growth factor receptor bound protein 2More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50161190(CHEMBL424969 | Phosphoric acid mono-[(S)-4-(2-acet...)
Show SMILES NC(=O)C[C@H](NC(=O)CCNC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C32H39N4O9P/c33-28(37)19-27(32(42)34-15-4-8-24-7-3-6-23-5-1-2-9-26(23)24)36-29(38)14-16-35-31(41)25(18-30(39)40)17-21-10-12-22(13-11-21)20-46(43,44)45/h1-3,5-7,9-13,25,27H,4,8,14-20H2,(H2,33,37)(H,34,42)(H,35,41)(H,36,38)(H,39,40)(H2,43,44,45)/t25-,27+/m1/s1
Affinity DataKd:  23.8nMAssay Description:In vitro binding affinity for growth factor receptor bound protein 2 SH2 domain from human breast cancer cellsMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50208566((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
Affinity DataKd:  27nMAssay Description:Binding affinity to Grb2-SH2 domain by surface plasmon resonanceMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50080831(CHEMBL434413 | [1-[1-(1,2-Dicarbamoyl-ethylcarbamo...)
Show SMILES NC(=O)CC(NC(=O)C1(CCCCC1)NC(=O)C(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)
Affinity DataKd:  30nMAssay Description:The copound was tested on a LS250B Perkin-Elmer fluorimeter for Growth factor receptor bound protein 2 equilibrium constant(Kd) by the Michaelis-Ment...More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50087244(Ac-Pro-Phe-pTyr-Val-Asn-Val-Pro-NH2 | CHEMBL237124...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C44H62N9O13P/c1-24(2)36(43(61)49-32(23-35(45)55)41(59)51-37(25(3)4)44(62)53-20-9-13-33(53)38(46)56)50-40(58)31(22-28-15-17-29(18-16-28)66-67(63,64)65)47-39(57)30(21-27-11-7-6-8-12-27)48-42(60)34-14-10-19-52(34)26(5)54/h6-8,11-12,15-18,24-25,30-34,36-37H,9-10,13-14,19-23H2,1-5H3,(H2,45,55)(H2,46,56)(H,47,57)(H,48,60)(H,49,61)(H,50,58)(H,51,59)(H2,63,64,65)/t30-,31-,32-,33-,34-,36-,37-/m0/s1
Affinity DataKd:  30nMAssay Description:Dissociation constant of compound was determined from affinity of compound towards Growth factor receptor bound protein 2 measured by fluorescenceMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50168314(CHEMBL193015 | [(7S,14R,18S)-18-Carbamoylmethyl-10...)
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(CC(O)=O)cc3)ccc2c1
Show InChI InChI=1S/C39H47N5O8/c1-24-8-13-32-28(18-24)14-17-44(32)23-26-6-5-7-29(27-11-9-25(10-12-27)19-34(46)47)30(20-35(48)49)36(50)43-39(15-3-2-4-16-39)38(52)42-31(21-33(40)45)37(51)41-22-26/h5,7-14,17-18,26,29-31H,2-4,6,15-16,19-23H2,1H3,(H2,40,45)(H,41,51)(H,42,52)(H,43,50)(H,46,47)(H,48,49)/b7-5+/t26-,29-,30+,31+/m1/s1
Affinity DataKd:  33nMAssay Description:Dissociation constant value against growth factor receptor bound protein 2More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50168317(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
Affinity DataKd:  35.3nMAssay Description:Dissociation constant value against growth factor receptor bound protein 2More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50208564((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
Affinity DataKd:  36nMAssay Description:Binding affinity to Grb2-SH2 domain by surface plasmon resonanceMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50080836(4-[2-[2-(3-Amino-benzyloxycarbonylamino)-3-(4-phos...)
Show SMILES CC(Cc1ccc(cc1)C(O)=O)(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/C32H37N6O12P/c1-32(16-19-5-9-21(10-6-19)29(42)43,30(44)36-24(27(35)40)15-26(34)39)38-28(41)25(14-18-7-11-23(12-8-18)50-51(46,47)48)37-31(45)49-17-20-3-2-4-22(33)13-20/h2-13,24-25H,14-17,33H2,1H3,(H2,34,39)(H2,35,40)(H,36,44)(H,37,45)(H,38,41)(H,42,43)(H2,46,47,48)
Affinity DataKd:  45nMAssay Description:The copound was tested on a LS250B Perkin-Elmer fluorimeter for Growth factor receptor bound protein 2 equilibrium constant(Kd) by the Michaelis-Ment...More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50080830(CHEMBL333070 | [1-[1-(1,2-Dicarbamoyl-ethylcarbamo...)
Show SMILES NC(=O)CC(NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1)C(N)=O
Show InChI InChI=1S/C30H36N6O14P2/c31-20-3-1-2-19(12-20)16-48-30(41)36-25(14-18-6-10-22(11-7-18)50-52(45,46)47)29(40)35-24(28(39)34-23(27(33)38)15-26(32)37)13-17-4-8-21(9-5-17)49-51(42,43)44/h1-12,23-25H,13-16,31H2,(H2,32,37)(H2,33,38)(H,34,39)(H,35,40)(H,36,41)(H2,42,43,44)(H2,45,46,47)
Affinity DataKd:  60nMAssay Description:The copound was tested on a LS250B Perkin-Elmer fluorimeter for Growth factor receptor bound protein 2 equilibrium constant(Kd) by the Michaelis-Ment...More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50080834(CHEMBL409455 | {4-[2-[2-(3-Amino-benzyloxycarbonyl...)
Show SMILES CC(Cc1ccc(CC(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/C33H39N6O12P/c1-33(31(45)37-25(29(36)43)16-27(35)40,17-21-7-5-20(6-8-21)15-28(41)42)39-30(44)26(14-19-9-11-24(12-10-19)51-52(47,48)49)38-32(46)50-18-22-3-2-4-23(34)13-22/h2-13,25-26H,14-18,34H2,1H3,(H2,35,40)(H2,36,43)(H,37,45)(H,38,46)(H,39,44)(H,41,42)(H2,47,48,49)
Affinity DataKd:  60nMAssay Description:The copound was tested on a LS250B Perkin-Elmer fluorimeter for Growth factor receptor bound protein 2 equilibrium constant(Kd) by the Michaelis-Ment...More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50168316(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
Affinity DataKd:  67nMAssay Description:Dissociation constant value against growth factor receptor bound protein 2More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50161189((S)-4-{5-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-pro...)
Show SMILES C[C@@]1(Cc2ccc(cc2)P(O)(O)=O)NC(=O)CC(\C=C\C[C@@H](Cc2cccc3ccccc23)CNC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C40H46N4O10P2/c1-40(23-26-14-18-33(19-15-26)56(52,53)54)39(48)43-35(22-36(41)45)38(47)42-24-28(20-32-10-5-8-30-7-2-3-11-34(30)32)6-4-9-31(21-37(46)44-40)29-16-12-27(13-17-29)25-55(49,50)51/h2-5,7-19,28,31,35H,6,20-25H2,1H3,(H2,41,45)(H,42,47)(H,43,48)(H,44,46)(H2,49,50,51)(H2,52,53,54)/b9-4+/t28-,31?,35-,40-/m0/s1
Affinity DataKd:  72nMAssay Description:In vitro binding affinity for growth factor receptor bound protein 2 SH2 domain from human breast cancer cellsMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50139762(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
Affinity DataKd:  75nMAssay Description:Binding affinity to SH2 domain of GRB2More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50161188((S)-4-{4-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-pro...)
Show SMILES NC(=O)C[C@H](NC(=O)CCCCCNC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C35H45N4O9P/c36-31(40)22-30(35(45)38-19-7-11-27-10-6-9-26-8-3-4-12-29(26)27)39-32(41)13-2-1-5-18-37-34(44)28(21-33(42)43)20-24-14-16-25(17-15-24)23-49(46,47)48/h3-4,6,8-10,12,14-17,28,30H,1-2,5,7,11,13,18-23H2,(H2,36,40)(H,37,44)(H,38,45)(H,39,41)(H,42,43)(H2,46,47,48)/t28-,30+/m1/s1
Affinity DataKd:  97.8nMAssay Description:In vitro binding affinity for growth factor receptor bound protein 2 SH2 domain from human breast cancer cellsMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50208570((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
Affinity DataKd:  106nMAssay Description:Binding affinity to Grb2-SH2 domain by surface plasmon resonanceMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50161466((R)-N-(1-{(S)-2-Carbamoyl-1-[2-(7-nitro-benzo[1,2,...)
Show SMILES NC(=O)CC(NC(=O)C1(CCCCC1)NC(=O)C(CC(O)=O)Cc1ccc(C[P+](O)(O)[O-])cc1)C(=O)NCCNc1ccc([N+]([O-])=O)c2n[o+][n-]c12
Show InChI InChI=1S/C31H39N8O12P/c32-24(40)16-22(29(44)34-13-12-33-21-8-9-23(39(46)47)27-26(21)37-51-38-27)35-30(45)31(10-2-1-3-11-31)36-28(43)20(15-25(41)42)14-18-4-6-19(7-5-18)17-52(48,49)50/h4-9,20,22,33H,1-3,10-17H2,(H2,32,40)(H,34,44)(H,35,45)(H,36,43)(H,41,42)(H2,48,49,50)
Affinity DataKd:  119nM Kon:  0.140M-1s-1 Koff:  1.18E+6s-1Assay Description:Apparent dissociation constant for human growth factor receptor bound protein 2More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50080833(CHEMBL264635 | [1-[1-(1,2-Dicarbamoyl-ethylcarbamo...)
Show SMILES NC(=O)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1)C(N)=O
Show InChI InChI=1S/C30H35N6O11P/c31-20-3-1-2-19(12-20)16-46-30(42)36-25(14-18-6-10-22(11-7-18)47-48(43,44)45)29(41)35-24(13-17-4-8-21(37)9-5-17)28(40)34-23(27(33)39)15-26(32)38/h1-12,23-25,37H,13-16,31H2,(H2,32,38)(H2,33,39)(H,34,40)(H,35,41)(H,36,42)(H2,43,44,45)
Affinity DataKd:  155nMAssay Description:The copound was tested on a LS250B Perkin-Elmer fluorimeter for Growth factor receptor bound protein 2 equilibrium constant(Kd) by the Michaelis-Ment...More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50087243(CHEMBL436789 | Pro-Ser-F2Pmp-Val-Asn-Val-Gln-Asn)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C41H62F2N11O16P/c1-18(2)31(38(64)48-23(11-12-28(44)56)34(60)51-26(40(66)67)16-30(46)58)54-36(62)25(15-29(45)57)50-39(65)32(19(3)4)53-35(61)24(14-20-7-9-21(10-8-20)41(42,43)71(68,69)70)49-37(63)27(17-55)52-33(59)22-6-5-13-47-22/h7-10,18-19,22-27,31-32,47,55H,5-6,11-17H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,48,64)(H,49,63)(H,50,65)(H,51,60)(H,52,59)(H,53,61)(H,54,62)(H,66,67)(H2,68,69,70)/t22-,23-,24-,25-,26-,27-,31-,32-/m0/s1
Affinity DataKd:  200nMAssay Description:Dissociation constant of compound was determined from affinity of compound towards Growth factor receptor bound protein 2 measured by fluorescenceMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50208568((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
Affinity DataKd:  202nMAssay Description:Binding affinity to Grb2-SH2 domain by surface plasmon resonanceMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50193150(({4-[(5S,11S)-11-(carbamoylmethyl)-3,6,9,12-tetrao...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@H](Cc2ccc(CP(O)(O)=O)cc2)NC(=O)Cn2cc(CCCNC1=O)nn2
Show InChI InChI=1S/C28H39N8O8P/c29-23(37)14-22-25(39)30-12-4-5-20-15-36(35-34-20)16-24(38)31-21(13-18-6-8-19(9-7-18)17-45(42,43)44)26(40)33-28(27(41)32-22)10-2-1-3-11-28/h6-9,15,21-22H,1-5,10-14,16-17H2,(H2,29,37)(H,30,39)(H,31,38)(H,32,41)(H,33,40)(H2,42,43,44)/t21-,22-/m0/s1
Affinity DataKd:  230nMAssay Description:Binding affinity to Grb2-SH2 domainMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50080835(CHEMBL333527 | [1-[1-(1,2-Dicarbamoyl-ethylcarbamo...)
Show SMILES CC(Cc1ccc(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/C31H37N6O11P/c1-31(16-19-5-9-22(38)10-6-19,29(42)35-24(27(34)40)15-26(33)39)37-28(41)25(14-18-7-11-23(12-8-18)48-49(44,45)46)36-30(43)47-17-20-3-2-4-21(32)13-20/h2-13,24-25,38H,14-17,32H2,1H3,(H2,33,39)(H2,34,40)(H,35,42)(H,36,43)(H,37,41)(H2,44,45,46)
Affinity DataKd:  250nMAssay Description:The copound was tested on a LS250B Perkin-Elmer fluorimeter for Growth factor receptor bound protein 2 equilibrium constant(Kd) by the Michaelis-Ment...More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50087245(CHEMBL345170 | Pro-Ser-Pmp-Val-Asn-Val-Gln-Asn)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(CP(O)(O)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C41H64N11O16P/c1-19(2)32(39(62)46-24(11-12-29(42)54)35(58)49-27(41(64)65)16-31(44)56)52-37(60)26(15-30(43)55)48-40(63)33(20(3)4)51-36(59)25(14-21-7-9-22(10-8-21)18-69(66,67)68)47-38(61)28(17-53)50-34(57)23-6-5-13-45-23/h7-10,19-20,23-28,32-33,45,53H,5-6,11-18H2,1-4H3,(H2,42,54)(H2,43,55)(H2,44,56)(H,46,62)(H,47,61)(H,48,63)(H,49,58)(H,50,57)(H,51,59)(H,52,60)(H,64,65)(H2,66,67,68)/t23-,24-,25-,26-,27-,28-,32-,33-/m0/s1
Affinity DataKd:  260nMAssay Description:Dissociation constant of compound was determined from affinity of compound towards Growth factor receptor bound protein 2 measured by fluorescenceMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50208569((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
Affinity DataKd:  272nMAssay Description:Binding affinity to Grb2-SH2 domain by surface plasmon resonanceMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50208571((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
Affinity DataKd:  320nMAssay Description:Binding affinity to Grb2-SH2 domain by surface plasmon resonanceMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50294421(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(CCCNC2)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)CSC[C@H](NC1=O)C(N)=O
Show InChI InChI=1S/C29H43N8O11PS/c1-15(2)23-27(43)34-20(24(31)40)12-50-13-22(39)33-18(10-16-4-6-17(7-5-16)48-49(45,46)47)26(42)37-29(8-3-9-32-14-29)28(44)35-19(11-21(30)38)25(41)36-23/h4-7,15,18-20,23,32H,3,8-14H2,1-2H3,(H2,30,38)(H2,31,40)(H,33,39)(H,34,43)(H,35,44)(H,36,41)(H,37,42)(H2,45,46,47)/t18-,19-,20-,23-,29?/m0/s1
Affinity DataKd:  359nMAssay Description:Binding affinity to GST-tagged recombinant Grb2 SH2 domain by Biacore assayMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50208563((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
Affinity DataKd:  458nMAssay Description:Binding affinity to Grb2-SH2 domain by surface plasmon resonanceMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50208567(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
Affinity DataKd:  871nMAssay Description:Binding affinity to Grb2-SH2 domain by surface plasmon resonanceMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50294422(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(CCS(=O)(=O)CC2)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)CSC[C@H](NC1=O)C(N)=O
Show InChI InChI=1S/C29H42N7O13PS2/c1-15(2)23-27(42)33-20(24(31)39)13-51-14-22(38)32-18(11-16-3-5-17(6-4-16)49-50(44,45)46)26(41)36-29(7-9-52(47,48)10-8-29)28(43)34-19(12-21(30)37)25(40)35-23/h3-6,15,18-20,23H,7-14H2,1-2H3,(H2,30,37)(H2,31,39)(H,32,38)(H,33,42)(H,34,43)(H,35,40)(H,36,41)(H2,44,45,46)/t18-,19-,20-,23-/m0/s1
Affinity DataKd:  880nMAssay Description:Binding affinity to GST-tagged recombinant Grb2 SH2 domain by Biacore assayMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50168315(CHEMBL363597 | [(7S,14R,18S)-18-Carbamoylmethyl-14...)
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)[N+]([O-])=O)ccc2c1
Show InChI InChI=1S/C37H44N6O8/c1-23-8-13-31-26(18-23)14-17-42(31)22-24-6-5-7-28(25-9-11-27(12-10-25)43(50)51)29(19-33(45)46)34(47)41-37(15-3-2-4-16-37)36(49)40-30(20-32(38)44)35(48)39-21-24/h5,7-14,17-18,24,28-30H,2-4,6,15-16,19-22H2,1H3,(H2,38,44)(H,39,48)(H,40,49)(H,41,47)(H,45,46)/b7-5+/t24-,28-,29+,30+/m1/s1
Affinity DataKd: >1.00E+3nMAssay Description:Dissociation constant value against growth factor receptor bound protein 2More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50168313(CHEMBL191718 | [(7S,14R,18S)-18-Carbamoylmethyl-10...)
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(O)cc3)ccc2c1
Show InChI InChI=1S/C37H45N5O7/c1-23-8-13-31-26(18-23)14-17-42(31)22-24-6-5-7-28(25-9-11-27(43)12-10-25)29(19-33(45)46)34(47)41-37(15-3-2-4-16-37)36(49)40-30(20-32(38)44)35(48)39-21-24/h5,7-14,17-18,24,28-30,43H,2-4,6,15-16,19-22H2,1H3,(H2,38,44)(H,39,48)(H,40,49)(H,41,47)(H,45,46)/b7-5+/t24-,28-,29+,30+/m1/s1
Affinity DataKd: >1.00E+3nMAssay Description:Dissociation constant value against growth factor receptor bound protein 2More data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50193154(({4-[(5R,11S)-11-(carbamoylmethyl)-3,6,9,12-tetrao...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccc(CP(O)(O)=O)cc2)NC(=O)Cn2cc(CCCNC1=O)nn2
Show InChI InChI=1S/C28H39N8O8P/c29-23(37)14-22-25(39)30-12-4-5-20-15-36(35-34-20)16-24(38)31-21(13-18-6-8-19(9-7-18)17-45(42,43)44)26(40)33-28(27(41)32-22)10-2-1-3-11-28/h6-9,15,21-22H,1-5,10-14,16-17H2,(H2,29,37)(H,30,39)(H,31,38)(H,32,41)(H,33,40)(H2,42,43,44)/t21-,22+/m1/s1
Affinity DataKd: >1.00E+3nMAssay Description:Binding affinity to Grb2-SH2 domainMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50193152((13S,20S)-4-((S)-3-(1-(((S)-4-amino-1,4-dioxo-1-(p...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(CP(O)(O)=O)cc1)NC(=O)CN=[N+]=[N-])C(=O)NCCCC#C
Show InChI InChI=1S/C28H39N8O8P/c1-2-3-7-14-31-25(39)22(16-23(29)37)34-27(41)28(12-5-4-6-13-28)35-26(40)21(33-24(38)17-32-36-30)15-19-8-10-20(11-9-19)18-45(42,43)44/h1,8-11,21-22H,3-7,12-18H2,(H2,29,37)(H,31,39)(H,33,38)(H,34,41)(H,35,40)(H2,42,43,44)/t21-,22-/m0/s1
Affinity DataKd: >1.00E+3nMAssay Description:Binding affinity to Grb2-SH2 domainMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50193149(({4-[(5'R,11'S,24'R,30'S)-11',30'-bis(carbamoylmet...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccc(CP(O)(O)=O)cc2)NC(=O)Cn2cc(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C3(CCCCC3)NC(=O)[C@@H](Cc3ccc(CP(O)(O)=O)cc3)NC(=O)Cn3cc(CCCNC1=O)nn3)nn2
Show InChI InChI=1S/C56H78N16O16P2/c57-45(73)27-43-49(77)59-23-7-9-39-30-72(70-68-39)32-48(76)62-42(26-36-13-17-38(18-14-36)34-90(86,87)88)52(80)66-56(21-5-2-6-22-56)54(82)64-44(28-46(58)74)50(78)60-24-8-10-40-29-71(69-67-40)31-47(75)61-41(25-35-11-15-37(16-12-35)33-89(83,84)85)51(79)65-55(53(81)63-43)19-3-1-4-20-55/h11-18,29-30,41-44H,1-10,19-28,31-34H2,(H2,57,73)(H2,58,74)(H,59,77)(H,60,78)(H,61,75)(H,62,76)(H,63,81)(H,64,82)(H,65,79)(H,66,80)(H2,83,84,85)(H2,86,87,88)/t41-,42-,43+,44+/m1/s1
Affinity DataKd: >1.00E+3nMAssay Description:Binding affinity to Grb2-SH2 domainMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50294416(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](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
Show InChI InChI=1S/C36H45N8O11PS/c37-29(45)16-27-33(49)41-26(15-21-17-39-24-7-3-2-6-23(21)24)32(48)42-28(31(38)47)18-57-19-30(46)40-25(14-20-8-10-22(11-9-20)55-56(52,53)54)34(50)44-36(35(51)43-27)12-4-1-5-13-36/h2-3,6-11,17,25-28,39H,1,4-5,12-16,18-19H2,(H2,37,45)(H2,38,47)(H,40,46)(H,41,49)(H,42,48)(H,43,51)(H,44,50)(H2,52,53,54)/t25-,26-,27-,28-/m0/s1
Affinity DataKd:  1.05E+3nMAssay Description:Binding affinity to GST-tagged recombinant Grb2 SH2 domain by Biacore assayMore data for this Ligand-Target Pair
TargetGrowth factor receptor-bound protein 2(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50294417(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
Affinity DataKd:  1.06E+3nMAssay Description:Binding affinity to GST-tagged recombinant Grb2 SH2 domain by Biacore assayMore data for this Ligand-Target Pair
Displayed 1 to 50 (of 71 total ) | Next | Last >>
Jump to: