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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with Target = '14-3-3 protein zeta/delta'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246102
PNG
(CHEMBL4096939)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N1)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(N)=O
Show InChI InChI=1S/C68H109N13O21/c1-35(2)23-45(57(92)72-37(5)55(90)74-44(54(70)89)28-42(62(97)98)63(99)100)75-59(94)47(29-51(85)86)76-58(93)46(24-36(3)4)78-64(101)67(8)22-18-16-14-12-10-9-11-13-15-17-21-66(7,80-50(84)34-71-56(91)43(73-38(6)82)19-20-49(69)83)65(102)79-53(61(96)77-48(30-52(87)88)60(95)81-67)68-31-39-25-40(32-68)27-41(26-39)33-68/h35-37,39-48,53H,9-34H2,1-8H3,(H2,69,83)(H2,70,89)(H,71,91)(H,72,92)(H,73,82)(H,74,90)(H,75,94)(H,76,93)(H,77,96)(H,78,101)(H,79,102)(H,80,84)(H,81,95)(H,85,86)(H,87,88)(H,97,98)(H,99,100)/t37-,39?,40?,41?,43-,44-,45-,46-,47-,48-,53+,66-,67-,68?/m0/s1
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n/an/a 830n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labeled cRaf peptide binding to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr by fluorescence polarization assay


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246112
PNG
(CHEMBL4069746)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C59H101N13O18/c1-32(2)25-38(51(84)63-35(7)49(82)68-43(31-73)48(61)81)65-54(87)41(28-46(77)78)66-52(85)39(26-33(3)4)70-57(90)59(10)24-20-18-16-14-12-11-13-15-17-19-23-58(9,71-45(76)30-62-50(83)37(64-36(8)74)21-22-44(60)75)56(89)69-40(27-34(5)6)53(86)67-42(29-47(79)80)55(88)72-59/h32-35,37-43,73H,11-31H2,1-10H3,(H2,60,75)(H2,61,81)(H,62,83)(H,63,84)(H,64,74)(H,65,87)(H,66,85)(H,67,86)(H,68,82)(H,69,89)(H,70,90)(H,71,76)(H,72,88)(H,77,78)(H,79,80)/t35-,37-,38-,39-,40-,41-,42-,43-,58-,59-/m0/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labeled cRaf peptide binding to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr by fluorescence polarization assay


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246119
PNG
(CHEMBL4068123)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C50H85N13O18/c1-22(2)14-30(57-38(67)20-53-44(75)29(56-28(11)65)12-13-37(51)66)47(78)60-33(17-25(7)8)49(80)61-34(18-39(68)69)46(77)55-26(9)42(73)58-32(16-24(5)6)48(79)62-35(19-40(70)71)50(81)59-31(15-23(3)4)45(76)54-27(10)43(74)63-36(21-64)41(52)72/h22-27,29-36,64H,12-21H2,1-11H3,(H2,51,66)(H2,52,72)(H,53,75)(H,54,76)(H,55,77)(H,56,65)(H,57,67)(H,58,73)(H,59,81)(H,60,78)(H,61,80)(H,62,79)(H,63,74)(H,68,69)(H,70,71)/t26-,27-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 3.29E+3n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labeled cRaf peptide binding to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr by fluorescence polarization assay


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246102
PNG
(CHEMBL4096939)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N1)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(N)=O
Show InChI InChI=1S/C68H109N13O21/c1-35(2)23-45(57(92)72-37(5)55(90)74-44(54(70)89)28-42(62(97)98)63(99)100)75-59(94)47(29-51(85)86)76-58(93)46(24-36(3)4)78-64(101)67(8)22-18-16-14-12-10-9-11-13-15-17-21-66(7,80-50(84)34-71-56(91)43(73-38(6)82)19-20-49(69)83)65(102)79-53(61(96)77-48(30-52(87)88)60(95)81-67)68-31-39-25-40(32-68)27-41(26-39)33-68/h35-37,39-48,53H,9-34H2,1-8H3,(H2,69,83)(H2,70,89)(H,71,91)(H,72,92)(H,73,82)(H,74,90)(H,75,94)(H,76,93)(H,77,96)(H,78,101)(H,79,102)(H,80,84)(H,81,95)(H,85,86)(H,87,88)(H,97,98)(H,99,100)/t37-,39?,40?,41?,43-,44-,45-,46-,47-,48-,53+,66-,67-,68?/m0/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of 14-3-3zeta (unknown origin) in human U87 cells assessed as decrease in exogenous 14-3-3zeta-induced MMP1 mRNA levels after 24 hrs by RT...


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50102295
PNG
(4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...)
Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of PRAS40 binding to human GST-tagged 14-3-3 protein zeta/delta expressed in Escherichia coli BL21(DE3) by ELISA


J Med Chem 61: 1276-1284 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01780
BindingDB Entry DOI: 10.7270/Q2B27XQN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50102295
PNG
(4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...)
Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged 14-3-3-zeta (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of interaction with PRAS40...


J Med Chem 61: 3755-3778 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00574
BindingDB Entry DOI: 10.7270/Q2RB7781
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246101
PNG
(CHEMBL4096528)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(N)=O
Show InChI InChI=1S/C87H123N15O28S/c1-45(2)34-59(74(115)92-48(7)72(113)95-58(71(89)112)40-53(79(120)121)80(122)123)96-77(118)62(41-69(108)109)97-75(116)60(35-46(3)4)100-83(126)86(9)29-19-17-15-13-11-10-12-14-16-18-28-85(8,82(125)99-61(36-47(5)6)76(117)98-63(42-70(110)111)78(119)102-86)101-67(106)43-91-73(114)57(26-27-66(88)105)94-68(107)44-128-33-32-127-31-30-90-84(131)93-49-20-23-54-52(37-49)81(124)130-87(54)55-24-21-50(103)38-64(55)129-65-39-51(104)22-25-56(65)87/h20-25,37-39,45-48,53,57-63,103-104H,10-19,26-36,40-44H2,1-9H3,(H2,88,105)(H2,89,112)(H,91,114)(H,92,115)(H,94,107)(H,95,113)(H,96,118)(H,97,116)(H,98,117)(H,99,125)(H,100,126)(H,101,106)(H,102,119)(H,108,109)(H,110,111)(H,120,121)(H,122,123)(H2,90,93,131)/t48-,57-,58-,59-,60-,61-,62-,63-,85-,86-/m0/s1
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n/an/an/a 99n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr using FITC labeled compound by fluorescence polarization assay


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246102
PNG
(CHEMBL4096939)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N1)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(N)=O
Show InChI InChI=1S/C68H109N13O21/c1-35(2)23-45(57(92)72-37(5)55(90)74-44(54(70)89)28-42(62(97)98)63(99)100)75-59(94)47(29-51(85)86)76-58(93)46(24-36(3)4)78-64(101)67(8)22-18-16-14-12-10-9-11-13-15-17-21-66(7,80-50(84)34-71-56(91)43(73-38(6)82)19-20-49(69)83)65(102)79-53(61(96)77-48(30-52(87)88)60(95)81-67)68-31-39-25-40(32-68)27-41(26-39)33-68/h35-37,39-48,53H,9-34H2,1-8H3,(H2,69,83)(H2,70,89)(H,71,91)(H,72,92)(H,73,82)(H,74,90)(H,75,94)(H,76,93)(H,77,96)(H,78,101)(H,79,102)(H,80,84)(H,81,95)(H,85,86)(H,87,88)(H,97,98)(H,99,100)/t37-,39?,40?,41?,43-,44-,45-,46-,47-,48-,53+,66-,67-,68?/m0/s1
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n/an/an/a 38n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr using FITC labeled compound by fluorescence polarization assay


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246103
PNG
(CHEMBL4080446)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C84H121N15O25S/c1-45(2)34-57(73(113)89-48(7)71(111)95-62(43-100)70(86)110)92-76(116)60(40-68(106)107)93-74(114)58(35-46(3)4)97-80(120)83(9)29-19-17-15-13-11-10-12-14-16-18-28-82(8,79(119)96-59(36-47(5)6)75(115)94-61(41-69(108)109)77(117)99-83)98-66(104)42-88-72(112)56(26-27-65(85)103)91-67(105)44-122-33-32-121-31-30-87-81(125)90-49-20-23-53-52(37-49)78(118)124-84(53)54-24-21-50(101)38-63(54)123-64-39-51(102)22-25-55(64)84/h20-25,37-39,45-48,56-62,100-102H,10-19,26-36,40-44H2,1-9H3,(H2,85,103)(H2,86,110)(H,88,112)(H,89,113)(H,91,105)(H,92,116)(H,93,114)(H,94,115)(H,95,111)(H,96,119)(H,97,120)(H,98,104)(H,99,117)(H,106,107)(H,108,109)(H2,87,90,125)/t48-,56-,57-,58-,59-,60-,61-,62-,82-,83-/m0/s1
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n/an/an/a 103n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr using FITC labeled compound by fluorescence polarization assay


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246113
PNG
(CHEMBL4098750)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C86H127N19O25S/c1-47(2)37-60(74(117)93-50(7)72(115)99-64(45-106)71(88)114)97-77(120)63(43-70(112)113)98-76(119)62(39-49(5)6)101-81(124)85(9)31-19-17-15-13-11-10-12-14-16-18-30-84(8,80(123)100-61(38-48(3)4)75(118)96-58(78(121)103-85)21-20-32-90-82(89)104-105(125)126)102-68(110)44-92-73(116)59(28-29-67(87)109)95-69(111)46-128-36-35-127-34-33-91-83(131)94-51-22-25-55-54(40-51)79(122)130-86(55)56-26-23-52(107)41-65(56)129-66-42-53(108)24-27-57(66)86/h22-27,40-42,47-50,58-64,106-108H,10-21,28-39,43-46H2,1-9H3,(H2,87,109)(H2,88,114)(H,92,116)(H,93,117)(H,95,111)(H,96,118)(H,97,120)(H,98,119)(H,99,115)(H,100,123)(H,101,124)(H,102,110)(H,103,121)(H,112,113)(H3,89,90,104)(H2,91,94,131)/t50-,58-,59-,60-,61-,62-,63-,64-,84-,85-/m0/s1
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n/an/an/a 6.40E+3n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr using FITC labeled compound by fluorescence polarization assay


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246116
PNG
(CHEMBL4063253)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N1)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C90H127N15O25S/c1-48(2)32-62(78(119)95-50(5)76(117)101-66(46-106)75(92)116)98-80(121)64(40-72(112)113)99-79(120)63(33-49(3)4)102-84(125)88(7)27-17-15-13-11-9-8-10-12-14-16-26-87(6,85(126)103-74(82(123)100-65(41-73(114)115)81(122)105-88)89-42-51-34-52(43-89)36-53(35-51)44-89)104-70(110)45-94-77(118)61(24-25-69(91)109)97-71(111)47-128-31-30-127-29-28-93-86(131)96-54-18-21-58-57(37-54)83(124)130-90(58)59-22-19-55(107)38-67(59)129-68-39-56(108)20-23-60(68)90/h18-23,37-39,48-53,61-66,74,106-108H,8-17,24-36,40-47H2,1-7H3,(H2,91,109)(H2,92,116)(H,94,118)(H,95,119)(H,97,111)(H,98,121)(H,99,120)(H,100,123)(H,101,117)(H,102,125)(H,103,126)(H,104,110)(H,105,122)(H,112,113)(H,114,115)(H2,93,96,131)/t50-,51?,52?,53?,61-,62-,63-,64-,65-,66-,74+,87-,88-,89?/m0/s1
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n/an/an/a 59n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr using FITC labeled compound by fluorescence polarization assay


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246117
PNG
(CHEMBL4074169)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@H](C[C@@H]2CNc3ccccc23)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C90H125N15O24S/c1-49(2)36-63(79(118)95-52(7)77(116)101-69(47-106)76(91)115)98-82(121)67(43-74(111)112)99-80(119)64(37-50(3)4)103-86(125)89(9)31-21-17-15-13-11-10-12-14-16-20-30-88(8,85(124)102-65(38-51(5)6)81(120)100-68(44-75(113)114)83(122)105-89)104-72(109)46-94-78(117)66(39-53-45-93-62-23-19-18-22-57(53)62)97-73(110)48-127-35-34-126-33-32-92-87(130)96-54-24-27-59-58(40-54)84(123)129-90(59)60-28-25-55(107)41-70(60)128-71-42-56(108)26-29-61(71)90/h18-19,22-29,40-42,49-53,63-69,93,106-108H,10-17,20-21,30-39,43-48H2,1-9H3,(H2,91,115)(H,94,117)(H,95,118)(H,97,110)(H,98,121)(H,99,119)(H,100,120)(H,101,116)(H,102,124)(H,103,125)(H,104,109)(H,105,122)(H,111,112)(H,113,114)(H2,92,96,130)/t52-,53+,63-,64-,65-,66-,67-,68-,69-,88-,89-/m0/s1
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n/an/an/a>2.00E+4n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr using FITC labeled compound by fluorescence polarization assay


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246118
PNG
(CHEMBL4071395)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@](C)(Cc1ccccc1F)C(N)=O
Show InChI InChI=1S/C91H126FN15O24S/c1-50(2)39-64(78(119)97-53(7)76(117)106-90(10,84(94)125)47-54-23-19-20-24-62(54)92)100-81(122)67(45-74(113)114)101-79(120)65(40-51(3)4)104-86(127)89(9)34-22-18-16-14-12-11-13-15-17-21-33-88(8,85(126)103-66(41-52(5)6)80(121)102-68(46-75(115)116)82(123)107-89)105-72(111)48-96-77(118)63(31-32-71(93)110)99-73(112)49-129-38-37-128-36-35-95-87(132)98-55-25-28-59-58(42-55)83(124)131-91(59)60-29-26-56(108)43-69(60)130-70-44-57(109)27-30-61(70)91/h19-20,23-30,42-44,50-53,63-68,108-109H,11-18,21-22,31-41,45-49H2,1-10H3,(H2,93,110)(H2,94,125)(H,96,118)(H,97,119)(H,99,112)(H,100,122)(H,101,120)(H,102,121)(H,103,126)(H,104,127)(H,105,111)(H,106,117)(H,107,123)(H,113,114)(H,115,116)(H2,95,98,132)/t53-,63-,64-,65-,66-,67-,68-,88-,89-,90-/m0/s1
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n/an/an/a 1.00E+3n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr using FITC labeled compound by fluorescence polarization assay


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50454781
PNG
(CHEMBL4206466)
Show SMILES COC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](C)[C@@H]3CC[C@](O)(COC)\C3=C\[C@@]3(C)CCC(C(C)C)=C23)[C@H](O)[C@H]2O[C@H]3O[C@@]12O[C@@]3(C)[C@@H]1CO1
Show InChI InChI=1S/C33H50O11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,36)15-38-7)17(3)24(34)26(23(18)30)41-28-25(35)27-33(22(40-28)13-37-6)43-29(42-27)31(5,44-33)21-14-39-21/h12,16-17,19,21-22,24-29,34-36H,8-11,13-15H2,1-7H3/b20-12+/t17-,19+,21+,22-,24-,25-,26-,27-,28-,29+,30-,31+,32+,33-/m1/s1
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n/an/an/a 9n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (unknown origin) assessed as stabilization of protein-protein interaction between 14-3-3zeta and fluorescein-labeled p...


Bioorg Med Chem Lett 28: 646-650 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.030
BindingDB Entry DOI: 10.7270/Q2DB84GR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50454782
PNG
(CHEMBL4217121)
Show SMILES COC[C@@]1(O)CC[C@H]2[C@@H](C)[C@@H](O)[C@H](O[C@H]3O[C@@H]4COC(C)(C)O[C@H]4[C@H](O)[C@H]3O)C3=C(CC[C@]3(C)\C=C1/2)C(C)C
Show InChI InChI=1S/C30H48O9/c1-15(2)17-8-10-29(6)12-19-18(9-11-30(19,34)14-35-7)16(3)22(31)26(21(17)29)38-27-24(33)23(32)25-20(37-27)13-36-28(4,5)39-25/h12,15-16,18,20,22-27,31-34H,8-11,13-14H2,1-7H3/b19-12+/t16-,18+,20-,22-,23-,24-,25-,26-,27-,29-,30+/m1/s1
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n/an/an/a 7.30n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (unknown origin) assessed as stabilization of protein-protein interaction between 14-3-3zeta and fluorescein-labeled p...


Bioorg Med Chem Lett 28: 646-650 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.030
BindingDB Entry DOI: 10.7270/Q2DB84GR
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50454783
PNG
(CHEMBL4218471)
Show SMILES COC[C@H]1CC[C@H]2[C@@H](C)[C@@H](O)[C@H](O[C@H]3O[C@@H]4COC(C)(C)O[C@H]4[C@H](O)[C@H]3O)C3=C(CC[C@]3(C)\C=C1/2)C(C)C
Show InChI InChI=1S/C30H48O8/c1-15(2)18-10-11-30(6)12-20-17(13-34-7)8-9-19(20)16(3)23(31)27(22(18)30)37-28-25(33)24(32)26-21(36-28)14-35-29(4,5)38-26/h12,15-17,19,21,23-28,31-33H,8-11,13-14H2,1-7H3/b20-12-/t16-,17-,19+,21-,23-,24-,25-,26-,27-,28-,30-/m1/s1
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n/an/an/a 18n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (unknown origin) assessed as stabilization of protein-protein interaction between 14-3-3zeta and fluorescein-labeled p...


Bioorg Med Chem Lett 28: 646-650 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.030
BindingDB Entry DOI: 10.7270/Q2DB84GR
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50454784
PNG
(CHEMBL4215246)
Show SMILES COC[C@]1(CC[C@H]2[C@@H](C)[C@@H](O)[C@H](O[C@H]3O[C@@H]4COC(C)(C)O[C@H]4[C@H](O)[C@H]3O)C3=C(CC[C@]3(C)\C=C1/2)C(C)C)OC
Show InChI InChI=1S/C31H50O9/c1-16(2)18-9-11-30(6)13-20-19(10-12-31(20,36-8)15-35-7)17(3)23(32)27(22(18)30)39-28-25(34)24(33)26-21(38-28)14-37-29(4,5)40-26/h13,16-17,19,21,23-28,32-34H,9-12,14-15H2,1-8H3/b20-13+/t17-,19+,21-,23-,24-,25-,26-,27-,28-,30-,31+/m1/s1
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n/an/an/a 360n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (unknown origin) assessed as stabilization of protein-protein interaction between 14-3-3zeta and fluorescein-labeled p...


Bioorg Med Chem Lett 28: 646-650 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.030
BindingDB Entry DOI: 10.7270/Q2DB84GR
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50462845
PNG
(CHEMBL4244843)
Show SMILES COC[C@H]1CC[C@H]2[C@@H](C)[C@@H](O)[C@H](O[C@H]3O[C@H](COC(C)(C)C=C)[C@@H](O)[C@H](OC(C)=O)[C@H]3O)C3=C(C[C@H](O)[C@]3(C)\C=C1/2)[C@H](C)COC(C)=O
Show InChI InChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1
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n/an/an/a 700n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged 14-3-3zeta expressed in Escherichia coli assessed as Kd for 14-3-3zeta binding to H+-ATPase peptide motif by iso...


Bioorg Med Chem Lett 28: 2585-2592 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.046
BindingDB Entry DOI: 10.7270/Q21G0PX4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50462079
PNG
(CHEMBL4247970)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C54H92N12O18/c1-29(2)23-34(46(77)58-31(5)43(74)62-38(28-67)50(81)82)60-49(80)37(26-42(72)73)64-52(84)54(8)22-18-16-14-12-10-9-11-13-15-17-21-53(7,65-40(69)27-57-45(76)33(55)19-20-39(56)68)51(83)63-35(24-30(3)4)48(79)61-36(25-41(70)71)47(78)59-32(6)44(75)66-54/h29-38,67H,9-28,55H2,1-8H3,(H2,56,68)(H,57,76)(H,58,77)(H,59,78)(H,60,80)(H,61,79)(H,62,74)(H,63,83)(H,64,84)(H,65,69)(H,66,75)(H,70,71)(H,72,73)(H,81,82)/t31-,32-,33-,34-,35-,36-,37-,38-,53-,54-/m0/s1
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n/an/an/a 41n/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to human full length 14-3-3zeta by fluorescence polarization assay


J Med Chem 61: 3755-3778 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00574
BindingDB Entry DOI: 10.7270/Q2RB7781
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50462081
PNG
(CHEMBL4243245)
Show SMILES COC[C@H]1CC[C@H]2[C@@H](C)[C@@H](O)[C@H](O)C3=C(CC(OCc4ccccc4\C=N\OC[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CNS(=O)(=O)c4cccc5c(cccc45)N(C)C)C(C)C)[C@]3(C)\C=C1/2)[C@H](C)COC(C)=O
Show InChI InChI=1S/C71H95N9O19S/c1-39(2)57(38-99-73-32-44-14-10-11-15-45(44)37-98-60-29-51(40(3)35-97-42(5)82)64-66(89)65(88)41(4)48-25-22-46(36-96-9)52(48)31-71(60,64)6)79-69(92)55(30-63(86)87)77-68(91)54(28-43-20-23-47(83)24-21-43)76-70(93)56(34-81)78-67(90)53(26-27-61(72)84)75-62(85)33-74-100(94,95)59-19-13-16-49-50(59)17-12-18-58(49)80(7)8/h10-21,23-24,31-32,39-41,46,48,53-57,60,65-66,74,81,83,88-89H,22,25-30,33-38H2,1-9H3,(H2,72,84)(H,75,85)(H,76,93)(H,77,91)(H,78,90)(H,79,92)(H,86,87)/b52-31-,73-32+/t40-,41-,46-,48+,53+,54+,55+,56+,57-,60?,65-,66-,71+/m1/s1
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n/an/an/a 370n/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged 14-3-3zeta expressed in Escherichia coli K12 by ITC method


J Med Chem 61: 3755-3778 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00574
BindingDB Entry DOI: 10.7270/Q2RB7781
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50462082
PNG
(CHEMBL4245176)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C48H82N12O18/c1-21(2)13-28(54-36(63)19-51-41(70)27(49)11-12-35(50)62)44(73)57-31(16-24(7)8)46(75)58-32(17-37(64)65)43(72)53-25(9)39(68)55-30(15-23(5)6)45(74)59-33(18-38(66)67)47(76)56-29(14-22(3)4)42(71)52-26(10)40(69)60-34(20-61)48(77)78/h21-34,61H,11-20,49H2,1-10H3,(H2,50,62)(H,51,70)(H,52,71)(H,53,72)(H,54,63)(H,55,68)(H,56,76)(H,57,73)(H,58,75)(H,59,74)(H,60,69)(H,64,65)(H,66,67)(H,77,78)/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/an/a 1.14E+3n/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to human full length 14-3-3zeta by fluorescence polarization assay


J Med Chem 61: 3755-3778 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00574
BindingDB Entry DOI: 10.7270/Q2RB7781
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246100
PNG
(CHEMBL4076372)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C87H123N15O29S/c1-45(2)33-57(73(115)95-60(39-52(79(121)122)80(123)124)76(118)98-63(43-103)71(89)113)94-77(119)61(40-69(109)110)96-74(116)58(34-46(3)4)100-83(127)86(8)28-18-16-14-12-10-9-11-13-15-17-27-85(7,82(126)99-59(35-47(5)6)75(117)97-62(41-70(111)112)78(120)102-86)101-67(107)42-91-72(114)56(25-26-66(88)106)93-68(108)44-129-32-31-128-30-29-90-84(132)92-48-19-22-53-51(36-48)81(125)131-87(53)54-23-20-49(104)37-64(54)130-65-38-50(105)21-24-55(65)87/h19-24,36-38,45-47,52,56-63,103-105H,9-18,25-35,39-44H2,1-8H3,(H2,88,106)(H2,89,113)(H,91,114)(H,93,108)(H,94,119)(H,95,115)(H,96,116)(H,97,117)(H,98,118)(H,99,126)(H,100,127)(H,101,107)(H,102,120)(H,109,110)(H,111,112)(H,121,122)(H,123,124)(H2,90,92,132)/t56-,57-,58-,59-,60-,61-,62-,63-,85-,86-/m0/s1
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n/an/an/a 1.30E+4n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr using FITC labeled compound by fluorescence polarization assay


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246083
PNG
(CHEMBL4079973)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C87H127N15O25S/c1-47(2)35-59(75(115)94-60(36-48(3)4)76(116)98-65(45-103)73(89)113)95-79(119)63(42-71(109)110)96-77(117)61(37-49(5)6)100-83(123)86(10)30-20-18-16-14-12-11-13-15-17-19-29-85(9,82(122)99-62(38-50(7)8)78(118)97-64(43-72(111)112)80(120)102-86)101-69(107)44-91-74(114)58(27-28-68(88)106)93-70(108)46-125-34-33-124-32-31-90-84(128)92-51-21-24-55-54(39-51)81(121)127-87(55)56-25-22-52(104)40-66(56)126-67-41-53(105)23-26-57(67)87/h21-26,39-41,47-50,58-65,103-105H,11-20,27-38,42-46H2,1-10H3,(H2,88,106)(H2,89,113)(H,91,114)(H,93,108)(H,94,115)(H,95,119)(H,96,117)(H,97,118)(H,98,116)(H,99,122)(H,100,123)(H,101,107)(H,102,120)(H,109,110)(H,111,112)(H2,90,92,128)/t58-,59-,60+,61-,62-,63-,64-,65-,85-,86-/m0/s1
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n/an/an/a 9.00E+3n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr using FITC labeled compound by fluorescence polarization assay


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246082
PNG
(CHEMBL4073284)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@](C)(Cc2ccccc2F)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C89H123FN14O24S/c1-49(2)37-62(76(116)94-52(7)75(115)99-67(47-105)74(91)114)96-79(119)65(43-72(110)111)97-77(117)63(38-50(3)4)101-84(124)87(9)32-22-18-16-14-12-11-13-15-17-21-31-86(8,83(123)100-64(39-51(5)6)78(118)98-66(44-73(112)113)80(120)104-87)102-70(108)46-93-82(122)88(10,45-53-23-19-20-24-61(53)90)103-71(109)48-126-36-35-125-34-33-92-85(129)95-54-25-28-58-57(40-54)81(121)128-89(58)59-29-26-55(106)41-68(59)127-69-42-56(107)27-30-60(69)89/h19-20,23-30,40-42,49-52,62-67,105-107H,11-18,21-22,31-39,43-48H2,1-10H3,(H2,91,114)(H,93,122)(H,94,116)(H,96,119)(H,97,117)(H,98,118)(H,99,115)(H,100,123)(H,101,124)(H,102,108)(H,103,109)(H,104,120)(H,110,111)(H,112,113)(H2,92,95,129)/t52-,62-,63-,64-,65-,66-,67-,86-,87-,88-/m0/s1
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n/an/an/a>2.00E+4n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr using FITC labeled compound by fluorescence polarization assay


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246081
PNG
(CHEMBL4100127)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C97H131N15O25S/c1-54(2)43-69(85(125)101-57(7)83(123)108-75(52-113)82(99)122)104-88(128)73(50-80(118)119)106-86(126)70(44-55(3)4)109-93(133)96(9)38-22-17-15-13-11-10-12-14-16-21-37-95(8,92(132)110-71(45-56(5)6)87(127)107-74(51-81(120)121)90(130)112-96)111-89(129)72(46-58-25-27-60(28-26-58)59-23-19-18-20-24-59)105-84(124)68(35-36-78(98)116)103-79(117)53-135-42-41-134-40-39-100-94(138)102-61-29-32-65-64(47-61)91(131)137-97(65)66-33-30-62(114)48-76(66)136-77-49-63(115)31-34-67(77)97/h18-20,23-34,47-49,54-57,68-75,113-115H,10-17,21-22,35-46,50-53H2,1-9H3,(H2,98,116)(H2,99,122)(H,101,125)(H,103,117)(H,104,128)(H,105,124)(H,106,126)(H,107,127)(H,108,123)(H,109,133)(H,110,132)(H,111,129)(H,112,130)(H,118,119)(H,120,121)(H2,100,102,138)/t57-,68-,69-,70-,71-,72+,73-,74-,75-,95-,96-/m0/s1
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n/an/an/a>2.00E+4n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr using FITC labeled compound by fluorescence polarization assay


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246080
PNG
(CHEMBL4061432)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C91H127N15O25S/c1-50(2)39-63(79(119)95-53(7)77(117)102-69(48-107)76(93)116)98-82(122)67(46-74(112)113)100-80(120)64(40-51(3)4)103-87(127)90(9)34-22-17-15-13-11-10-12-14-16-21-33-89(8,86(126)104-65(41-52(5)6)81(121)101-68(47-75(114)115)84(124)106-90)105-83(123)66(42-54-23-19-18-20-24-54)99-78(118)62(31-32-72(92)110)97-73(111)49-129-38-37-128-36-35-94-88(132)96-55-25-28-59-58(43-55)85(125)131-91(59)60-29-26-56(108)44-70(60)130-71-45-57(109)27-30-61(71)91/h18-20,23-30,43-45,50-53,62-69,107-109H,10-17,21-22,31-42,46-49H2,1-9H3,(H2,92,110)(H2,93,116)(H,95,119)(H,97,111)(H,98,122)(H,99,118)(H,100,120)(H,101,121)(H,102,117)(H,103,127)(H,104,126)(H,105,123)(H,106,124)(H,112,113)(H,114,115)(H2,94,96,132)/t53-,62-,63-,64-,65-,66+,67-,68-,69-,89-,90-/m0/s1
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n/an/an/a 350n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr using FITC labeled compound by fluorescence polarization assay


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246078
PNG
(CHEMBL4073158)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C85H124N16O24S/c1-46(2)36-59(74(114)91-49(7)72(112)97-63(44-102)71(88)111)95-77(117)62(42-70(109)110)96-76(116)61(38-48(5)6)99-81(121)84(9)31-19-17-15-13-11-10-12-14-16-18-30-83(8,80(120)98-60(37-47(3)4)75(115)94-58(78(118)101-84)27-29-67(87)106)100-68(107)43-90-73(113)57(26-28-66(86)105)93-69(108)45-123-35-34-122-33-32-89-82(126)92-50-20-23-54-53(39-50)79(119)125-85(54)55-24-21-51(103)40-64(55)124-65-41-52(104)22-25-56(65)85/h20-25,39-41,46-49,57-63,102-104H,10-19,26-38,42-45H2,1-9H3,(H2,86,105)(H2,87,106)(H2,88,111)(H,90,113)(H,91,114)(H,93,108)(H,94,115)(H,95,117)(H,96,116)(H,97,112)(H,98,120)(H,99,121)(H,100,107)(H,101,118)(H,109,110)(H2,89,92,126)/t49-,57-,58-,59-,60-,61-,62-,63-,83-,84-/m0/s1
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n/an/an/a 510n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr using FITC labeled compound by fluorescence polarization assay


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246079
PNG
(CHEMBL4076293)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C89H120N16O25S/c1-48(2)36-62(78(119)95-50(5)76(117)101-67(46-106)75(91)116)98-81(122)65(42-73(112)113)99-79(120)63(37-49(3)4)102-85(126)88(7)31-19-15-13-11-9-8-10-12-14-18-30-87(6,84(125)103-64(38-51-44-93-60-21-17-16-20-55(51)60)80(121)100-66(43-74(114)115)82(123)105-88)104-71(110)45-94-77(118)61(28-29-70(90)109)97-72(111)47-128-35-34-127-33-32-92-86(131)96-52-22-25-57-56(39-52)83(124)130-89(57)58-26-23-53(107)40-68(58)129-69-41-54(108)24-27-59(69)89/h16-17,20-27,39-41,44,48-50,61-67,93,106-108H,8-15,18-19,28-38,42-43,45-47H2,1-7H3,(H2,90,109)(H2,91,116)(H,94,118)(H,95,119)(H,97,111)(H,98,122)(H,99,120)(H,100,121)(H,101,117)(H,102,126)(H,103,125)(H,104,110)(H,105,123)(H,112,113)(H,114,115)(H2,92,96,131)/t50-,61-,62-,63-,64-,65-,66-,67-,87-,88-/m0/s1
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n/an/an/a 5.90E+3n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr using FITC labeled compound by fluorescence polarization assay


J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair