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Compile Data Set for Download or QSAR

Found 333 hits of ic50 data for polymerid = 759   
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))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of ZAP70


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103511
PNG
(US8546370, 17)
Show SMILES NCCCc1cc2cc[nH]c(=O)c2c(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C21H25N5O2/c22-8-1-2-17-14-15-7-9-23-21(27)19(15)20(25-17)24-16-3-5-18(6-4-16)26-10-12-28-13-11-26/h3-7,9,14H,1-2,8,10-13,22H2,(H,23,27)(H,24,25)
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n/an/a 1n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103519
PNG
(US8546370, 164)
Show SMILES CN1CCC(CC1)c1ccc(Nc2nc(cc3cc[nH]c(=O)c23)-c2cncnc2)cc1
Show InChI InChI=1S/C24H24N6O/c1-30-10-7-17(8-11-30)16-2-4-20(5-3-16)28-23-22-18(6-9-27-24(22)31)12-21(29-23)19-13-25-15-26-14-19/h2-6,9,12-15,17H,7-8,10-11H2,1H3,(H,27,31)(H,28,29)
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n/an/a 2n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103512
PNG
(US8546370, 83)
Show SMILES CCN1CCN(CC1)c1cc2cc[nH]c(=O)c2c(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C24H30N6O2/c1-2-28-9-11-30(12-10-28)21-17-18-7-8-25-24(31)22(18)23(27-21)26-19-3-5-20(6-4-19)29-13-15-32-16-14-29/h3-8,17H,2,9-16H2,1H3,(H,25,31)(H,26,27)
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n/an/a 3n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1
Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of LCK activated GST-fused ZAP70 (unknown origin) expressed in fall armyworm sf9 cells preincubated for 10 mins followed by biotin-EQEDEPE...


ACS Med Chem Lett 7: 1151-1155 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1
Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused Zap70 (unknown origin) expressed in insect SF9 cells using biotin-EQEDEPEGDYFEWLE-CONH2 as substrate preincubated for 10 mins...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103522
PNG
(US8546370, 190)
Show SMILES CNC(=O)C(C)(C)c1ccc(Nc2nc(cc3cc[nH]c(=O)c23)-c2cncnc2)cc1
Show InChI InChI=1S/C23H22N6O2/c1-23(2,22(31)24-3)16-4-6-17(7-5-16)28-20-19-14(8-9-27-21(19)30)10-18(29-20)15-11-25-13-26-12-15/h4-13H,1-3H3,(H,24,31)(H,27,30)(H,28,29)
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n/an/a 8n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50083639
PNG
(CHEMBL112346 | {4-[6-((S)-3-Ethyl-piperazin-1-yl)-...)
Show SMILES CC[C@H]1CN(CCN1)c1ccc(cn1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C24H30N6O3/c1-5-17-15-30(11-10-25-17)22-7-6-16(14-27-22)19-8-9-26-24(29-19)28-18-12-20(31-2)23(33-4)21(13-18)32-3/h6-9,12-14,17,25H,5,10-11,15H2,1-4H3,(H,26,28,29)/t17-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103524
PNG
(US8546370, 304)
Show SMILES COc1cncc(c1)-c1cc2cc[nH]c(=O)c2c(Nc2ccc(cc2)C2CCN(CCC(C)=O)CC2)n1
Show InChI InChI=1S/C29H31N5O3/c1-19(35)8-12-34-13-9-21(10-14-34)20-3-5-24(6-4-20)32-28-27-22(7-11-31-29(27)36)16-26(33-28)23-15-25(37-2)18-30-17-23/h3-7,11,15-18,21H,8-10,12-14H2,1-2H3,(H,31,36)(H,32,33)
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n/an/a 8n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
BindingDB Entry DOI: 10.7270/Q2NG4R1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103512
PNG
(US8546370, 83)
Show SMILES CCN1CCN(CC1)c1cc2cc[nH]c(=O)c2c(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C24H30N6O2/c1-2-28-9-11-30(12-10-28)21-17-18-7-8-25-24(31)22(18)23(27-21)26-19-3-5-20(6-4-19)29-13-15-32-16-14-29/h3-8,17H,2,9-16H2,1H3,(H,25,31)(H,26,27)
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n/an/a 9n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50300401
PNG
(2-(5-bromo-2-(2,3-dihydro-1H-inden-4-ylamino)pyrim...)
Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc3CCCc23)ncc1Br
Show InChI InChI=1S/C20H20BrN5O2S/c1-22-29(27,28)18-11-3-2-9-17(18)24-19-15(21)12-23-20(26-19)25-16-10-5-7-13-6-4-8-14(13)16/h2-3,5,7,9-12,22H,4,6,8H2,1H3,(H2,23,24,25,26)
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n/an/a 10n/an/an/an/an/an/a



GVK Biosciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells


Eur J Med Chem 44: 4793-800 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.018
BindingDB Entry DOI: 10.7270/Q25X290Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50442757
PNG
(CHEMBL2443026)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
Show InChI InChI=1S/C31H38N4O7/c1-34(2)21-3-5-24(6-4-21)41-27-18-23(36)17-26(37)29(27)28-19-25(33-42-28)30(38)32-20-9-13-35(14-10-20)22-7-11-31(12-8-22)39-15-16-40-31/h3-6,17-20,22,36-37H,7-16H2,1-2H3,(H,32,38)
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n/an/a>10n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50442758
PNG
(CHEMBL2443139)
Show SMILES CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H30N4O5/c1-15(2)26-16-4-6-19(7-5-16)33-22-13-18(30)12-21(31)24(22)23-14-20(28-34-23)25(32)27-17-8-10-29(3)11-9-17/h4-7,12-15,17,26,30-31H,8-11H2,1-3H3,(H,27,32)
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n/an/a>10n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50442759
PNG
(CHEMBL2443138)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C24H28N4O5/c1-27(2)16-4-6-18(7-5-16)32-21-13-17(29)12-20(30)23(21)22-14-19(26-33-22)24(31)25-15-8-10-28(3)11-9-15/h4-7,12-15,29-30H,8-11H2,1-3H3,(H,25,31)
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n/an/a>10n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50442760
PNG
(CHEMBL2443044)
Show SMILES CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)17-12-20(33-24-17)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23,29)
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n/an/a>10n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50300382
PNG
(4-(4-(5-chloro-4-(2-(propylsulfonyl)phenylamino)py...)
Show SMILES CCCS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)NC)ncc1Cl
Show InChI InChI=1S/C26H32ClN7O4S/c1-4-15-39(36,37)23-8-6-5-7-21(23)30-24-19(27)17-29-25(32-24)31-20-10-9-18(16-22(20)38-3)33-11-13-34(14-12-33)26(35)28-2/h5-10,16-17H,4,11-15H2,1-3H3,(H,28,35)(H2,29,30,31,32)
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n/an/a 10n/an/an/an/an/an/a



GVK Biosciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells


Eur J Med Chem 44: 4793-800 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.018
BindingDB Entry DOI: 10.7270/Q25X290Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50083638
PNG
((S)-4-(6-(3-methylpiperazin-1-yl)pyridin-3-yl)-N-(...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCN[C@@H](C)C2)cc(OC)c1OC
Show InChI InChI=1S/C23H28N6O3/c1-15-14-29(10-9-24-15)21-6-5-16(13-26-21)18-7-8-25-23(28-18)27-17-11-19(30-2)22(32-4)20(12-17)31-3/h5-8,11-13,15,24H,9-10,14H2,1-4H3,(H,25,27,28)/t15-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50013165
PNG
(CHEMBL3262616)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3[nH]ccc23)n1
Show InChI InChI=1S/C21H23N7O/c22-13-4-1-2-5-16(13)26-18-10-17-19(21(29)25-11-24-17)20(28-18)27-15-7-3-6-14-12(15)8-9-23-14/h3,6-11,13,16,23H,1-2,4-5,22H2,(H,24,25,29)(H2,26,27,28)/t13-,16+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50013170
PNG
(CHEMBL3262622)
Show SMILES Cn1cc2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc2n1
Show InChI InChI=1S/C21H23N7O2/c1-28-10-13-15(3-2-4-16(13)27-28)25-20-19-12(5-7-23-21(19)29)9-18(26-20)24-17-6-8-30-11-14(17)22/h2-5,7,9-10,14,17H,6,8,11,22H2,1H3,(H,23,29)(H2,24,25,26)/t14-,17+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103521
PNG
(US8546370, 183)
Show SMILES FC(F)(F)CNc1cc2cc[nH]c(=O)c2c(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C20H20F3N5O2/c21-20(22,23)12-25-16-11-13-5-6-24-19(29)17(13)18(27-16)26-14-1-3-15(4-2-14)28-7-9-30-10-8-28/h1-6,11H,7-10,12H2,(H,24,29)(H2,25,26,27)
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n/an/a 24n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50083649
PNG
(CHEMBL112518 | {4-[6-(3-Methyl-piperazin-1-yl)-pyr...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCNC(C)C2)cc(OC)c1OC
Show InChI InChI=1S/C23H28N6O3/c1-15-14-29(10-9-24-15)21-6-5-16(13-26-21)18-7-8-25-23(28-18)27-17-11-19(30-2)22(32-4)20(12-17)31-3/h5-8,11-13,15,24H,9-10,14H2,1-4H3,(H,25,27,28)
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n/an/a 26n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
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



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)


Article DOI: 10.1016/s0960-894x(98)00043-2
BindingDB Entry DOI: 10.7270/Q2VT1R78
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103530
PNG
(US8546370, 643)
Show SMILES COc1cncc(n1)-c1cc2cc[nH]c(=O)c2c(Nc2ccc(C3CCOCC3)c(C)c2)n1
Show InChI InChI=1S/C25H25N5O3/c1-15-11-18(3-4-19(15)16-6-9-33-10-7-16)28-24-23-17(5-8-27-25(23)31)12-20(30-24)21-13-26-14-22(29-21)32-2/h3-5,8,11-14,16H,6-7,9-10H2,1-2H3,(H,27,31)(H,28,30)
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n/an/a 31n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50083640
PNG
(CHEMBL112172 | [4-(6-[1,4]Diazepan-1-yl-pyridin-3-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCCNCC2)cc(OC)c1OC
Show InChI InChI=1S/C23H28N6O3/c1-30-19-13-17(14-20(31-2)22(19)32-3)27-23-25-9-7-18(28-23)16-5-6-21(26-15-16)29-11-4-8-24-10-12-29/h5-7,9,13-15,24H,4,8,10-12H2,1-3H3,(H,25,27,28)
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n/an/a 31n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50013162
PNG
(CHEMBL3262357)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12
Show InChI InChI=1S/C22H25N7O/c1-12-10-24-20-13(12)5-4-8-16(20)28-21-19-17(25-11-26-22(19)30)9-18(29-21)27-15-7-3-2-6-14(15)23/h4-5,8-11,14-15,24H,2-3,6-7,23H2,1H3,(H,25,26,30)(H2,27,28,29)/t14-,15+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50300383
PNG
(4-(4-(5-chloro-4-(2-(propylsulfonyl)phenylamino)py...)
Show SMILES CCCS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)N(C)C)ncc1Cl
Show InChI InChI=1S/C27H34ClN7O4S/c1-5-16-40(37,38)24-9-7-6-8-22(24)30-25-20(28)18-29-26(32-25)31-21-11-10-19(17-23(21)39-4)34-12-14-35(15-13-34)27(36)33(2)3/h6-11,17-18H,5,12-16H2,1-4H3,(H2,29,30,31,32)
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n/an/a 40n/an/an/an/an/an/a



GVK Biosciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells


Eur J Med Chem 44: 4793-800 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.018
BindingDB Entry DOI: 10.7270/Q25X290Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50274757
PNG
(5-((1S,2R)-2-Aminocyclohexylamino)-7-(3,5-dimethox...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3cc(nc3c2C(N)=O)-c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C27H31N7O3/c1-36-18-12-17(13-19(14-18)37-2)30-25-23(24(29)35)26-31-22(16-8-4-3-5-9-16)15-34(26)27(33-25)32-21-11-7-6-10-20(21)28/h3-5,8-9,12-15,20-21,30H,6-7,10-11,28H2,1-2H3,(H2,29,35)(H,32,33)/t20-,21+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ZAP70 expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM60665
PNG
(BDBM50249542 | US9145414, R406 | US9212178, R406)
Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
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n/an/a 42n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103517
PNG
(US8546370, 130)
Show SMILES CC(C)Cn1cc(cn1)-c1cc2cc[nH]c(=O)c2c(Nc2ccc(cc2)C2CCN(CC2)C(C)=O)n1
Show InChI InChI=1S/C28H32N6O2/c1-18(2)16-34-17-23(15-30-34)25-14-22-8-11-29-28(36)26(22)27(32-25)31-24-6-4-20(5-7-24)21-9-12-33(13-10-21)19(3)35/h4-8,11,14-15,17-18,21H,9-10,12-13,16H2,1-3H3,(H,29,36)(H,31,32)
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n/an/a 44n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50083648
PNG
(CHEMBL420672 | {4-[6-(4-Methyl-piperazin-1-yl)-pyr...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCN(C)CC2)cc(OC)c1OC
Show InChI InChI=1S/C23H28N6O3/c1-28-9-11-29(12-10-28)21-6-5-16(15-25-21)18-7-8-24-23(27-18)26-17-13-19(30-2)22(32-4)20(14-17)31-3/h5-8,13-15H,9-12H2,1-4H3,(H,24,26,27)
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n/an/a 46n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103529
PNG
(US8546370, 637)
Show SMILES CCN1CCN(CCc2ccc(Nc3nc(cc4cc[nH]c(=O)c34)-c3cncc(OC)n3)cc2)CC1
Show InChI InChI=1S/C27H31N7O2/c1-3-33-12-14-34(15-13-33)11-9-19-4-6-21(7-5-19)30-26-25-20(8-10-29-27(25)35)16-22(32-26)23-17-28-18-24(31-23)36-2/h4-8,10,16-18H,3,9,11-15H2,1-2H3,(H,29,35)(H,30,32)
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n/an/a 46n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM26429
PNG
((2E)-3-{4-[({8-carbamoyl-7-[(3,5-dimethoxyphenyl)a...)
Show SMILES COc1cc(Nc2nc(NCc3ccc(\C=C\C(O)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
Show InChI InChI=1S/C25H24N6O5/c1-35-18-11-17(12-19(13-18)36-2)29-23-21(22(26)34)24-27-9-10-31(24)25(30-23)28-14-16-5-3-15(4-6-16)7-8-20(32)33/h3-13,29H,14H2,1-2H3,(H2,26,34)(H,28,30)(H,32,33)/b8-7+
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n/an/a 47n/an/an/an/a7.630



Kissei Pharmaceutical Company



Assay Description
A coupled spectrophotometric assay was used wherein ADP generated by ZAP-70 kinase was converted to ATP by pyruvate kinase (PK), with concomitant pro...


Bioorg Med Chem 17: 284-94 (2009)


Article DOI: 10.1016/j.bmc.2008.10.070
BindingDB Entry DOI: 10.7270/Q2FQ9TXB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50013169
PNG
(CHEMBL3262620)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12
Show InChI InChI=1S/C21H23N7O2/c1-11-8-23-19-12(11)3-2-4-15(19)27-20-18-16(24-10-25-21(18)29)7-17(28-20)26-14-5-6-30-9-13(14)22/h2-4,7-8,10,13-14,23H,5-6,9,22H2,1H3,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103532
PNG
(US8546370, 1124)
Show SMILES Cn1cc(Nc2nc(cc3ccn(C)c(=O)c23)-c2cnc(N)nc2)cn1
Show InChI InChI=1S/C17H16N8O/c1-24-4-3-10-5-13(11-6-19-17(18)20-7-11)23-15(14(10)16(24)26)22-12-8-21-25(2)9-12/h3-9H,1-2H3,(H,22,23)(H2,18,19,20)
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n/an/a 48n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50300384
PNG
(2-(5-chloro-2-(4-(3-(dimethylamino)-2,2-dimethylpr...)
Show SMILES COc1cc(OCC(C)(C)CN(C)C)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1
Show InChI InChI=1S/C27H37ClN6O4S/c1-18(2)33-39(35,36)24-11-9-8-10-22(24)30-25-20(28)15-29-26(32-25)31-21-13-12-19(14-23(21)37-7)38-17-27(3,4)16-34(5)6/h8-15,18,33H,16-17H2,1-7H3,(H2,29,30,31,32)
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n/an/a 50n/an/an/an/an/an/a



GVK Biosciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells


Eur J Med Chem 44: 4793-800 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.018
BindingDB Entry DOI: 10.7270/Q25X290Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ZAP70 expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ZAP70


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50083644
PNG
(CHEMBL322066 | [4-(6-Piperazin-1-yl-pyridin-3-yl)-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCNCC2)cc(OC)c1OC
Show InChI InChI=1S/C22H26N6O3/c1-29-18-12-16(13-19(30-2)21(18)31-3)26-22-24-7-6-17(27-22)15-4-5-20(25-14-15)28-10-8-23-9-11-28/h4-7,12-14,23H,8-11H2,1-3H3,(H,24,26,27)
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n/an/a 54n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103510
PNG
(US8546370, 11)
Show SMILES O=c1[nH]ccc2cc(nc(Nc3ccc(cc3)N3CCOCC3)c12)-c1ccccc1
Show InChI InChI=1S/C24H22N4O2/c29-24-22-18(10-11-25-24)16-21(17-4-2-1-3-5-17)27-23(22)26-19-6-8-20(9-7-19)28-12-14-30-15-13-28/h1-11,16H,12-15H2,(H,25,29)(H,26,27)
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n/an/a 58n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50400047
PNG
(BIIB-057 | CHEMBL2177736 | US9579320, Example 87)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1
Show InChI InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50400047
PNG
(BIIB-057 | CHEMBL2177736 | US9579320, Example 87)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1
Show InChI InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ZAP70


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50300385
PNG
(2-(5-bromo-2-(3-(dimethylamino)-2-methylphenylamin...)
Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(N(C)C)c2C)ncc1Br
Show InChI InChI=1S/C20H23BrN6O2S/c1-13-15(9-7-10-17(13)27(3)4)25-20-23-12-14(21)19(26-20)24-16-8-5-6-11-18(16)30(28,29)22-2/h5-12,22H,1-4H3,(H2,23,24,25,26)
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n/an/a 70n/an/an/an/an/an/a



GVK Biosciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells


Eur J Med Chem 44: 4793-800 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.018
BindingDB Entry DOI: 10.7270/Q25X290Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50013160
PNG
(CHEMBL3262355)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc(c2)-n2nccn2)n1
Show InChI InChI=1S/C21H23N9O/c22-15-6-1-2-7-16(15)28-18-11-17-19(21(31)24-12-23-17)20(29-18)27-13-4-3-5-14(10-13)30-25-8-9-26-30/h3-5,8-12,15-16H,1-2,6-7,22H2,(H,23,24,31)(H2,27,28,29)/t15-,16+/m0/s1
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n/an/a 74n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50204290
PNG
(CHEMBL3979920)
Show SMILES Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12
Show InChI InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1
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n/an/a 75n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged ZAP-70 (1 to 619 residues) expressed in baculovirus expression system using ULight peptide as s...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103518
PNG
(US8546370, 151)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc(cc3cc[nH]c(=O)c23)-c2cncnc2)cc1
Show InChI InChI=1S/C21H18N6O2/c1-27(2)21(29)13-3-5-16(6-4-13)25-19-18-14(7-8-24-20(18)28)9-17(26-19)15-10-22-12-23-11-15/h3-12H,1-2H3,(H,24,28)(H,25,26)
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n/an/a 78n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103527
PNG
(US8546370, 589)
Show SMILES Cc1cc(Nc2nc(cc3cc[nH]c(=O)c23)-c2cncnc2)ccc1C1CCN(CC1)C1CC1
Show InChI InChI=1S/C27H28N6O/c1-17-12-21(2-5-23(17)18-7-10-33(11-8-18)22-3-4-22)31-26-25-19(6-9-30-27(25)34)13-24(32-26)20-14-28-16-29-15-20/h2,5-6,9,12-16,18,22H,3-4,7-8,10-11H2,1H3,(H,30,34)(H,31,32)
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n/an/a 79n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50300386
PNG
(2-(5-bromo-2-(2-methoxy-4-(2-methyl-1H-imidazol-1-...)
Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)-n2ccnc2C)ncc1Br
Show InChI InChI=1S/C22H22BrN7O3S/c1-14-25-10-11-30(14)15-8-9-17(19(12-15)33-3)28-22-26-13-16(23)21(29-22)27-18-6-4-5-7-20(18)34(31,32)24-2/h4-13,24H,1-3H3,(H2,26,27,28,29)
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n/an/a 80n/an/an/an/an/an/a



GVK Biosciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells


Eur J Med Chem 44: 4793-800 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.018
BindingDB Entry DOI: 10.7270/Q25X290Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50013173
PNG
(CHEMBL3262625)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc12
Show InChI InChI=1S/C23H26N6O/c1-13-12-26-21-15(13)5-4-8-18(21)28-22-20-14(9-10-25-23(20)30)11-19(29-22)27-17-7-3-2-6-16(17)24/h4-5,8-12,16-17,26H,2-3,6-7,24H2,1H3,(H,25,30)(H2,27,28,29)/t16-,17+/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
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