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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'zuber' and Initial = 'jf'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50069336
PNG
(CHEMBL439120 | NELNLGRREE | NQLPpYNELNLGRREEpYDVLD)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C106H166N30O43P2/c1-48(2)36-64(125-99(165)70(44-78(111)140)128-94(160)65(37-49(3)4)126-91(157)63(28-32-82(146)147)124-98(164)69(43-77(110)139)129-97(163)68(41-54-19-23-56(24-20-54)179-181(175,176)177)131-101(167)74-16-13-35-136(74)103(169)72(39-51(7)8)133-93(159)60(25-29-75(108)137)120-86(152)57(107)42-76(109)138)87(153)118-47-79(141)119-58(14-11-33-116-105(112)113)88(154)121-59(15-12-34-117-106(114)115)89(155)122-61(26-30-80(142)143)90(156)123-62(27-31-81(144)145)92(158)127-67(40-53-17-21-55(22-18-53)178-180(172,173)174)96(162)130-71(45-83(148)149)100(166)135-85(52(9)10)102(168)132-66(38-50(5)6)95(161)134-73(104(170)171)46-84(150)151/h17-24,48-52,57-74,85H,11-16,25-47,107H2,1-10H3,(H2,108,137)(H2,109,138)(H2,110,139)(H2,111,140)(H,118,153)(H,119,141)(H,120,152)(H,121,154)(H,122,155)(H,123,156)(H,124,164)(H,125,165)(H,126,157)(H,127,158)(H,128,160)(H,129,163)(H,130,162)(H,131,167)(H,132,168)(H,133,159)(H,134,161)(H,135,166)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,170,171)(H4,112,113,116)(H4,114,115,117)(H2,172,173,174)(H2,175,176,177)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,85-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against SH2 domain of Zeta-chain (TCR) associated protein kinase, ZAP-70


Bioorg Med Chem Lett 7: 2875-2878 (1997)


Article DOI: 10.1016/S0960-894X(97)10102-0
BindingDB Entry DOI: 10.7270/Q2HX1CPG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50069336
PNG
(CHEMBL439120 | NELNLGRREE | NQLPpYNELNLGRREEpYDVLD)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C106H166N30O43P2/c1-48(2)36-64(125-99(165)70(44-78(111)140)128-94(160)65(37-49(3)4)126-91(157)63(28-32-82(146)147)124-98(164)69(43-77(110)139)129-97(163)68(41-54-19-23-56(24-20-54)179-181(175,176)177)131-101(167)74-16-13-35-136(74)103(169)72(39-51(7)8)133-93(159)60(25-29-75(108)137)120-86(152)57(107)42-76(109)138)87(153)118-47-79(141)119-58(14-11-33-116-105(112)113)88(154)121-59(15-12-34-117-106(114)115)89(155)122-61(26-30-80(142)143)90(156)123-62(27-31-81(144)145)92(158)127-67(40-53-17-21-55(22-18-53)178-180(172,173)174)96(162)130-71(45-83(148)149)100(166)135-85(52(9)10)102(168)132-66(38-50(5)6)95(161)134-73(104(170)171)46-84(150)151/h17-24,48-52,57-74,85H,11-16,25-47,107H2,1-10H3,(H2,108,137)(H2,109,138)(H2,110,139)(H2,111,140)(H,118,153)(H,119,141)(H,120,152)(H,121,154)(H,122,155)(H,123,156)(H,124,164)(H,125,165)(H,126,157)(H,127,158)(H,128,160)(H,129,163)(H,130,162)(H,131,167)(H,132,168)(H,133,159)(H,134,161)(H,135,166)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,170,171)(H4,112,113,116)(H4,114,115,117)(H2,172,173,174)(H2,175,176,177)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,85-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Preclinical Research Novartis

Curated by ChEMBL


Assay Description
Inhibition of binding to human ZAP-70 SH2 domain


Bioorg Med Chem Lett 8: 405-8 (1999)


BindingDB Entry DOI: 10.7270/Q2VT1R78
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50290773
PNG
(CHEMBL443592 | Non-peptide bidentate ITAM analogue)
Show SMILES CCCCCC(=O)N(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(OCCCOc5ccc6[C@H]7CC[C@@]8(C)[C@@H](CC[C@@H]8N(Cc8ccc(cc8)C(F)(F)P(O)(O)=O)C(=O)CCCCC)[C@@H]7CCc6c5)ccc4[C@H]3CC[C@]12C
Show InChI InChI=1S/C67H88F4N2O10P2/c1-5-7-9-12-62(74)72(42-44-14-20-48(21-15-44)66(68,69)84(76,77)78)60-32-30-58-56-26-18-46-40-50(24-28-52(46)54(56)34-36-64(58,60)3)82-38-11-39-83-51-25-29-53-47(41-51)19-27-57-55(53)35-37-65(4)59(57)31-33-61(65)73(63(75)13-10-8-6-2)43-45-16-22-49(23-17-45)67(70,71)85(79,80)81/h14-17,20-25,28-29,40-41,54-61H,5-13,18-19,26-27,30-39,42-43H2,1-4H3,(H2,76,77,78)(H2,79,80,81)/t54-,55-,56-,57-,58+,59+,60+,61+,64+,65+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against SH2 domain of Zeta-chain (TCR) associated protein kinase, ZAP-70


Bioorg Med Chem Lett 7: 2875-2878 (1997)


Article DOI: 10.1016/S0960-894X(97)10102-0
BindingDB Entry DOI: 10.7270/Q2HX1CPG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50290771
PNG
(CHEMBL386787 | Non-peptide bidentate ITAM analogue)
Show SMILES CCCCCC(=O)N(Cc1ccc(CP(O)(O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3CCc4cc(OCCCOc5ccc6[C@H]7CC[C@@]8(C)[C@@H](CC[C@@H]8N(Cc8ccc(CP(O)(O)=O)cc8)C(=O)CCCCC)[C@@H]7CCc6c5)ccc4[C@H]3CC[C@]12C
Show InChI InChI=1S/C67H92N2O10P2/c1-5-7-9-12-64(70)68(42-46-14-18-48(19-15-46)44-80(72,73)74)62-32-30-60-58-26-22-50-40-52(24-28-54(50)56(58)34-36-66(60,62)3)78-38-11-39-79-53-25-29-55-51(41-53)23-27-59-57(55)35-37-67(4)61(59)31-33-63(67)69(65(71)13-10-8-6-2)43-47-16-20-49(21-17-47)45-81(75,76)77/h14-21,24-25,28-29,40-41,56-63H,5-13,22-23,26-27,30-39,42-45H2,1-4H3,(H2,72,73,74)(H2,75,76,77)/t56-,57-,58-,59-,60+,61+,62+,63+,66+,67+/m1/s1
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n/an/a 320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against SH2 domain of Zeta-chain (TCR) associated protein kinase, ZAP-70


Bioorg Med Chem Lett 7: 2875-2878 (1997)


Article DOI: 10.1016/S0960-894X(97)10102-0
BindingDB Entry DOI: 10.7270/Q2HX1CPG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50290774
PNG
(CHEMBL99125 | [Difluoro-(4-{[hexanoyl-((8R,9S,13S,...)
Show SMILES CCCCCC(=O)N(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(OCCC)ccc4[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H48F2NO5P/c1-4-6-7-8-33(39)38(23-24-9-12-26(13-10-24)35(36,37)44(40,41)42)32-18-17-31-30-15-11-25-22-27(43-21-5-2)14-16-28(25)29(30)19-20-34(31,32)3/h9-10,12-14,16,22,29-32H,4-8,11,15,17-21,23H2,1-3H3,(H2,40,41,42)/t29-,30-,31+,32+,34+/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against SH2 domain of Zeta-chain (TCR) associated protein kinase, ZAP-70


Bioorg Med Chem Lett 7: 2875-2878 (1997)


Article DOI: 10.1016/S0960-894X(97)10102-0
BindingDB Entry DOI: 10.7270/Q2HX1CPG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50290772
PNG
((4-{[Hexanoyl-((8R,9S,13S,14S,17S)-13-methyl-3-pro...)
Show SMILES CCCCCC(=O)N(Cc1ccc(CP(O)(O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3CCc4cc(OCCC)ccc4[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H50NO5P/c1-4-6-7-8-34(37)36(23-25-9-11-26(12-10-25)24-42(38,39)40)33-18-17-32-31-15-13-27-22-28(41-21-5-2)14-16-29(27)30(31)19-20-35(32,33)3/h9-12,14,16,22,30-33H,4-8,13,15,17-21,23-24H2,1-3H3,(H2,38,39,40)/t30-,31-,32+,33+,35+/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against SH2 domain of Zeta-chain (TCR) associated protein kinase, ZAP-70


Bioorg Med Chem Lett 7: 2875-2878 (1997)


Article DOI: 10.1016/S0960-894X(97)10102-0
BindingDB Entry DOI: 10.7270/Q2HX1CPG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50069340
PNG
(CHEMBL131256 | {4-[({[({[(Carbamoylmethyl-isobutyl...)
Show SMILES CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CC(C)C)CC(=O)N(CC(C)C)CC(N)=O)Cc1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C32H54N5O8P/c1-7-9-10-11-29(39)37(18-26-12-14-27(15-13-26)23-46(43,44)45)21-30(40)34(8-2)20-31(41)36(17-25(5)6)22-32(42)35(16-24(3)4)19-28(33)38/h12-15,24-25H,7-11,16-23H2,1-6H3,(H2,33,38)(H2,43,44,45)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Preclinical Research Novartis

Curated by ChEMBL


Assay Description
Inhibition of binding to human ZAP-70 SH2 domain


Bioorg Med Chem Lett 8: 405-8 (1999)


BindingDB Entry DOI: 10.7270/Q2VT1R78
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50069343
PNG
(CHEMBL130109 | {4-[({[({[(Carbamoylmethyl-ethyl-ca...)
Show SMILES CCCCCC(=O)N(CC(=O)N(CC(C)C)CC(=O)N(CC)CC(=O)N(CC)CC(N)=O)Cc1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C30H50N5O8P/c1-6-9-10-11-27(37)35(17-24-12-14-25(15-13-24)22-44(41,42)43)21-30(40)34(16-23(4)5)20-29(39)33(8-3)19-28(38)32(7-2)18-26(31)36/h12-15,23H,6-11,16-22H2,1-5H3,(H2,31,36)(H2,41,42,43)
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n/an/a 6.30E+4n/an/an/an/an/an/a



Preclinical Research Novartis

Curated by ChEMBL


Assay Description
Inhibition of binding to human ZAP-70 SH2 domain


Bioorg Med Chem Lett 8: 405-8 (1999)


BindingDB Entry DOI: 10.7270/Q2VT1R78
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50069341
PNG
(CHEMBL131773 | {4-[({[{[{[Carbamoylmethyl-(3-pheny...)
Show SMILES CCCCCC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CCCc1ccccc1)CC(=O)N(CCCc1ccccc1)CC(N)=O)Cc1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C49H64N5O8P/c1-2-3-7-26-46(56)54(34-43-27-29-44(30-28-43)39-63(60,61)62)38-49(59)53(33-16-25-42-21-12-6-13-22-42)37-48(58)52(32-15-24-41-19-10-5-11-20-41)36-47(57)51(35-45(50)55)31-14-23-40-17-8-4-9-18-40/h4-6,8-13,17-22,27-30H,2-3,7,14-16,23-26,31-39H2,1H3,(H2,50,55)(H2,60,61,62)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Preclinical Research Novartis

Curated by ChEMBL


Assay Description
Inhibition of binding to human ZAP-70 SH2 domain


Bioorg Med Chem Lett 8: 405-8 (1999)


BindingDB Entry DOI: 10.7270/Q2VT1R78
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50069339
PNG
(CHEMBL205386 | {4-[({[[({[Carbamoylmethyl-(3-pheny...)
Show SMILES CCCCCC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CC(C)C)CC(=O)N(CCCc1ccccc1)CC(N)=O)Cc1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C44H62N5O8P/c1-4-5-8-21-41(51)49(29-38-22-24-39(25-23-38)34-58(55,56)57)33-43(53)47(27-14-20-37-17-11-7-12-18-37)31-44(54)48(28-35(2)3)32-42(52)46(30-40(45)50)26-13-19-36-15-9-6-10-16-36/h6-7,9-12,15-18,22-25,35H,4-5,8,13-14,19-21,26-34H2,1-3H3,(H2,45,50)(H2,55,56,57)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Preclinical Research Novartis

Curated by ChEMBL


Assay Description
Inhibition of binding to human ZAP-70 SH2 domain


Bioorg Med Chem Lett 8: 405-8 (1999)


BindingDB Entry DOI: 10.7270/Q2VT1R78
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50069338
PNG
(CHEMBL131086 | {4-[({[({[(Carbamoylmethyl-isobutyl...)
Show SMILES CCCCCC(=O)N(CC(=O)N(CC(C)C)CC(=O)N(CC)CC(=O)N(CC(C)C)CC(N)=O)Cc1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C32H54N5O8P/c1-7-9-10-11-29(39)37(18-26-12-14-27(15-13-26)23-46(43,44)45)22-32(42)36(17-25(5)6)21-30(40)34(8-2)20-31(41)35(16-24(3)4)19-28(33)38/h12-15,24-25H,7-11,16-23H2,1-6H3,(H2,33,38)(H2,43,44,45)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Preclinical Research Novartis

Curated by ChEMBL


Assay Description
Inhibition of binding to human ZAP-70 SH2 domain


Bioorg Med Chem Lett 8: 405-8 (1999)


BindingDB Entry DOI: 10.7270/Q2VT1R78
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50069337
PNG
(CHEMBL336975 | [4-({[({[[(Carbamoylmethyl-ethyl-ca...)
Show SMILES CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CCCc1ccccc1)CC(=O)N(CC)CC(N)=O)Cc1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C35H52N5O8P/c1-4-7-9-16-32(42)40(22-29-17-19-30(20-18-29)27-49(46,47)48)26-34(44)38(6-3)24-35(45)39(21-12-15-28-13-10-8-11-14-28)25-33(43)37(5-2)23-31(36)41/h8,10-11,13-14,17-20H,4-7,9,12,15-16,21-27H2,1-3H3,(H2,36,41)(H2,46,47,48)
PDB
MMDB

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UniChem

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PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Preclinical Research Novartis

Curated by ChEMBL


Assay Description
Inhibition of binding to human ZAP-70 SH2 domain


Bioorg Med Chem Lett 8: 405-8 (1999)


BindingDB Entry DOI: 10.7270/Q2VT1R78
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50069342
PNG
(CHEMBL264257 | {4-[({[[({[Carbamoylmethyl-(3-pheny...)
Show SMILES CCCCCC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CC)CC(=O)N(CCCc1ccccc1)CC(N)=O)Cc1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C42H58N5O8P/c1-3-5-8-21-39(49)47(28-36-22-24-37(25-23-36)33-56(53,54)55)32-42(52)46(27-14-20-35-17-11-7-12-18-35)31-40(50)44(4-2)30-41(51)45(29-38(43)48)26-13-19-34-15-9-6-10-16-34/h6-7,9-12,15-18,22-25H,3-5,8,13-14,19-21,26-33H2,1-2H3,(H2,43,48)(H2,53,54,55)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Preclinical Research Novartis

Curated by ChEMBL


Assay Description
Inhibition of binding to human ZAP-70 SH2 domain


Bioorg Med Chem Lett 8: 405-8 (1999)


BindingDB Entry DOI: 10.7270/Q2VT1R78
More data for this
Ligand-Target Pair