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Compile Data Set for Download or QSAR

Found 471 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ZAP-70 ' AND taxid = 9606   
Target
(Institution)
LigandTarget
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))
BDBM50275935
PNG
((S)-2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)-...)
Show SMILES C[C@@H](CO)NC(=O)c1sc(nc1C)-c1ccnc(Nc2cc(C)cc(C)c2)n1
Show InChI InChI=1S/C20H23N5O2S/c1-11-7-12(2)9-15(8-11)24-20-21-6-5-16(25-20)19-23-14(4)17(28-19)18(27)22-13(3)10-26/h5-9,13,26H,10H2,1-4H3,(H,22,27)(H,21,24,25)/t13-/m0/s1
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240n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50275934
PNG
((2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)thia...)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2ncc(CO)s2)c1
Show InChI InChI=1S/C16H16N4OS/c1-10-5-11(2)7-12(6-10)19-16-17-4-3-14(20-16)15-18-8-13(9-21)22-15/h3-8,21H,9H2,1-2H3,(H,17,19,20)
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270n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50276018
PNG
(1-(3-(cyclopenta-1,3-dienyl)benzyl)-3,5-diethylben...)
Show SMILES COc1cc(Nc2nccc(n2)-c2nccs2)cc(OC)c1
Show InChI InChI=1S/C15H14N4O2S/c1-20-11-7-10(8-12(9-11)21-2)18-15-17-4-3-13(19-15)14-16-5-6-22-14/h3-9H,1-2H3,(H,17,18,19)
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318n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50276064
PNG
(CHEMBL470780 | N-(3,5-dimethylphenyl)-4-(5-methylt...)
Show SMILES Cc1cnc(s1)-c1ccnc(Nc2cc(C)cc(C)c2)n1
Show InChI InChI=1S/C16H16N4S/c1-10-6-11(2)8-13(7-10)19-16-17-5-4-14(20-16)15-18-9-12(3)21-15/h4-9H,1-3H3,(H,17,19,20)
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410n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50276015
PNG
(CHEMBL509161 | N-(3,5-dimethylphenyl)-4-(thiazol-2...)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2nccs2)c1
Show InChI InChI=1S/C15H14N4S/c1-10-7-11(2)9-12(8-10)18-15-17-4-3-13(19-15)14-16-5-6-20-14/h3-9H,1-2H3,(H,17,18,19)
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419n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50276065
PNG
((2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)thia...)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2nc(CO)cs2)c1
Show InChI InChI=1S/C16H16N4OS/c1-10-5-11(2)7-12(6-10)19-16-17-4-3-14(20-16)15-18-13(8-21)9-22-15/h3-7,9,21H,8H2,1-2H3,(H,17,19,20)
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450n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50249318
PNG
(2-(2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)-4...)
Show SMILES Cc1nc(sc1CCO)-c1ccnc(Nc2cc(C)cc(C)c2)n1
Show InChI InChI=1S/C18H20N4OS/c1-11-8-12(2)10-14(9-11)21-18-19-6-4-15(22-18)17-20-13(3)16(24-17)5-7-23/h4,6,8-10,23H,5,7H2,1-3H3,(H,19,21,22)
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560n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50249286
PNG
(3-(3-(4-(thiazol-2-yl)pyrimidin-2-ylamino)-5-(trif...)
Show SMILES OCCCOc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N4O2S/c18-17(19,20)11-8-12(10-13(9-11)26-6-1-5-25)23-16-22-3-2-14(24-16)15-21-4-7-27-15/h2-4,7-10,25H,1,5-6H2,(H,22,23,24)
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677n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50275356
PNG
(3-(4-(4-(hydroxymethyl)thiazol-2-yl)pyrimidin-2-yl...)
Show SMILES OCc1csc(n1)-c1ccnc(Nc2cc(O)cc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C15H11F3N4O2S/c16-15(17,18)8-3-9(5-11(24)4-8)21-14-19-2-1-12(22-14)13-20-10(6-23)7-25-13/h1-5,7,23-24H,6H2,(H,19,21,22)
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680n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50275358
PNG
((2-(2-(3-methyl-5-(trifluoromethyl)phenylamino)pyr...)
Show SMILES Cc1cc(Nc2nccc(n2)-c2nc(CO)cs2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N4OS/c1-9-4-10(16(17,18)19)6-11(5-9)22-15-20-3-2-13(23-15)14-21-12(7-24)8-25-14/h2-6,8,24H,7H2,1H3,(H,20,22,23)
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750n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50276017
PNG
(3-(4-(thiazol-2-yl)pyrimidin-2-ylamino)-5-(trifluo...)
Show SMILES Oc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C14H9F3N4OS/c15-14(16,17)8-5-9(7-10(22)6-8)20-13-19-2-1-11(21-13)12-18-3-4-23-12/h1-7,22H,(H,19,20,21)
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754n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50249416
PNG
(CHEMBL471776 | N-(3-methyl-5-(trifluoromethyl)phen...)
Show SMILES Cc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4S/c1-9-6-10(15(16,17)18)8-11(7-9)21-14-20-3-2-12(22-14)13-19-4-5-23-13/h2-8H,1H3,(H,20,21,22)
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891n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50427363
PNG
(CHEMBL2326002)
Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl
Show InChI InChI=1S/C20H24ClFN6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-13(21)9-14(22)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Zap70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50275355
PNG
((2-(2-(3-methoxy-5-(trifluoromethyl)phenylamino)py...)
Show SMILES COc1cc(Nc2nccc(n2)-c2nc(CO)cs2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N4O2S/c1-25-12-5-9(16(17,18)19)4-10(6-12)22-15-20-3-2-13(23-15)14-21-11(7-24)8-26-14/h2-6,8,24H,7H2,1H3,(H,20,22,23)
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1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50249356
PNG
(CHEMBL453217 | N-(3,5-dimethylphenyl)-4-(4-methylt...)
Show SMILES Cc1csc(n1)-c1ccnc(Nc2cc(C)cc(C)c2)n1
Show InChI InChI=1S/C16H16N4S/c1-10-6-11(2)8-13(7-10)19-16-17-5-4-14(20-16)15-18-12(3)9-21-15/h4-9H,1-3H3,(H,17,19,20)
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1.03E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50275357
PNG
(CHEMBL451450 | N-(3-methoxy-5-(trifluoromethyl)phe...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ncc(C)s2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N4OS/c1-9-8-21-14(25-9)13-3-4-20-15(23-13)22-11-5-10(16(17,18)19)6-12(7-11)24-2/h3-8H,1-2H3,(H,20,22,23)
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1.14E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50249540
PNG
((R)-2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)-...)
Show SMILES C[C@H](CO)NC(=O)c1sc(nc1C)-c1ccnc(Nc2cc(C)cc(C)c2)n1
Show InChI InChI=1S/C20H23N5O2S/c1-11-7-12(2)9-15(8-11)24-20-21-6-5-16(25-20)19-23-14(4)17(28-19)18(27)22-13(3)10-26/h5-9,13,26H,10H2,1-4H3,(H,22,27)(H,21,24,25)/t13-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50383081
PNG
(SCYTONEMIN)
Show SMILES Oc1ccc(\C=C2/C3Nc4ccccc4C3=C(C2=O)C2=C3C(=Nc4ccccc34)\C(=C/c3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C36H22N2O4/c39-21-13-9-19(10-14-21)17-25-33-29(23-5-1-3-7-27(23)37-33)31(35(25)41)32-30-24-6-2-4-8-28(24)38-34(30)26(36(32)42)18-20-11-15-22(40)16-12-20/h1-18,33,37,39-40H/b25-17+,26-18+
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1.55E+3n/an/an/an/an/an/an/an/a



Sandia National Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ZAP70 using EEEEYEEEE as substrate by ESI-MS analysis


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50276063
PNG
(4-(thiazol-2-yl)-N-m-tolylpyrimidin-2-amine | CHEM...)
Show SMILES Cc1cccc(Nc2nccc(n2)-c2nccs2)c1
Show InChI InChI=1S/C14H12N4S/c1-10-3-2-4-11(9-10)17-14-16-6-5-12(18-14)13-15-7-8-19-13/h2-9H,1H3,(H,16,17,18)
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1.55E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50276016
PNG
(CHEMBL512319 | N-(3-methoxy-5-(trifluoromethyl)phe...)
Show SMILES COc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4OS/c1-23-11-7-9(15(16,17)18)6-10(8-11)21-14-20-3-2-12(22-14)13-19-4-5-24-13/h2-8H,1H3,(H,20,21,22)
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2.15E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM7364
PNG
(6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 38 |...)
Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H19N3O/c1-3-4-5-14-15(12-6-8-13(21-2)9-7-12)20-17-16(14)18-10-11-19-17/h6-11H,3-5H2,1-2H3,(H,19,20)
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2.63E+3n/an/an/an/an/an/an/an/a



Sandia National Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ZAP70 using EEEEYEEEE as substrate by ESI-MS analysis


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50249284
PNG
(2-(4-methyl-2-(2-(3-methyl-5-(trifluoromethyl)phen...)
Show SMILES Cc1nc(sc1CCO)-c1ccnc(Nc2cc(C)cc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C18H17F3N4OS/c1-10-7-12(18(19,20)21)9-13(8-10)24-17-22-5-3-14(25-17)16-23-11(2)15(27-16)4-6-26/h3,5,7-9,26H,4,6H2,1-2H3,(H,22,24,25)
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3.50E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM92422
PNG
(CHEMBL407391 | PU09)
Show SMILES CN(C)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)
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>1.00E+4n/an/an/an/an/an/an/an/a



Sandia National Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ZAP70 using EEEEYEEEE as substrate by ESI-MS analysis


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM4339
PNG
((3,4-Dihydroxybenzylidene)malononitrile | 2-[(3,4-...)
Show SMILES Oc1ccc(C=C(C#N)C#N)cc1O
Show InChI InChI=1S/C10H6N2O2/c11-5-8(6-12)3-7-1-2-9(13)10(14)4-7/h1-4,13-14H
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>1.00E+4n/an/an/an/an/an/an/an/a



Sandia National Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ZAP70 using EEEEYEEEE as substrate by ESI-MS analysis


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50341636
PNG
((3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-MET...)
Show SMILES CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1
Show InChI InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-
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>1.00E+4n/an/an/an/an/an/an/an/a



Sandia National Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ZAP70 using EEEEYEEEE as substrate by ESI-MS analysis


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM5544
PNG
(4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Sandia National Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ZAP70 using EEEEYEEEE as substrate by ESI-MS analysis


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM7680
PNG
(4-[2-(5-Bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene...)
Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C14H11BrN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



Sandia National Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ZAP70 using EEEEYEEEE as substrate by ESI-MS analysis


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
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)

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)

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)

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=1/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+/s2
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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...


Citation and Details
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)

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)

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)

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...


Citation and Details
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)

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


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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


Citation and Details
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)

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)


Citation and Details
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)


Citation and Details
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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US Patent
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)

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)

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


Citation and Details
More data for this
Ligand-Target Pair
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