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Compile Data Set for Download or QSAR

Found 232 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase TEC'   
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 TEC


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US9617258, Example 5)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Show InChI InChI=1/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/s2
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0.679n/an/an/an/an/an/a7.5n/a



Pfizer Worldwide R&D



Assay Description
Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...


ACS Chem Biol 11: 3442-3451 (2016)


Article DOI: 10.1021/acschembio.6b00677
BindingDB Entry DOI: 10.7270/Q2PN94F8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50357312
PNG
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



National Institute of Biological Sciences, Beijing

Curated by ChEMBL


Assay Description
Inhibition of human TEC using poly[Glu:Tyr] as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition by filter binding method


J Med Chem 60: 8552-8564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01075
BindingDB Entry DOI: 10.7270/Q25X2C34
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50020476
PNG
(CHEMBL3290148)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)CNC(=O)C=C)c2)nc1
Show InChI InChI=1S/C31H26F3N7O4/c1-3-26(42)35-17-27(43)38-21-8-5-9-22(13-21)41-30-36-15-24(16-37-30)40-29(45)25-14-23(11-10-18(25)2)39-28(44)19-6-4-7-20(12-19)31(32,33)34/h3-16H,1,17H2,2H3,(H,35,42)(H,38,43)(H,39,44)(H,40,45)(H,36,37,41)
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n/an/a 6.30n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of Tec (unknown origin) after 1 hr by HTRF assay


J Med Chem 57: 5112-28 (2014)


Article DOI: 10.1021/jm4017762
BindingDB Entry DOI: 10.7270/Q2NK3GKX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50161162
PNG
(AVL-292 | CC-292 | SPEBRUTINIB | Spebrutinib | US9...)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)
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n/an/a 6.80n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50357312
PNG
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



National Institute of Biological Sciences, Beijing

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 60: 8552-8564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01075
BindingDB Entry DOI: 10.7270/Q25X2C34
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50020471
PNG
(CHEMBL3290142)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1
Show InChI InChI=1S/C29H23F3N6O3/c1-3-25(39)35-20-8-5-9-21(13-20)38-28-33-15-23(16-34-28)37-27(41)24-14-22(11-10-17(24)2)36-26(40)18-6-4-7-19(12-18)29(30,31)32/h3-16H,1H2,2H3,(H,35,39)(H,36,40)(H,37,41)(H,33,34,38)
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n/an/a 8.20n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of Tec (unknown origin) after 1 hr by HTRF assay


J Med Chem 57: 5112-28 (2014)


Article DOI: 10.1021/jm4017762
BindingDB Entry DOI: 10.7270/Q2NK3GKX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50194720
PNG
(CHEMBL3900554)
Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(F)cc(C(O)=N)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O
Show InChI InChI=1/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/s2
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin)


J Med Chem 59: 9173-9200 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01088
BindingDB Entry DOI: 10.7270/Q23T9K5H
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM1773
PNG
(US10280174, Comparative Compound 1 | US8476284, 4 ...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)
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n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394211
PNG
(US9975882, Example 2)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(Cl)c4)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C25H26ClN7O2/c1-2-4-20(34)31-8-7-25(15-31)10-19(11-25)33-23(27)21(24(28)35)22(30-33)17-12-29-32(14-17)13-16-5-3-6-18(26)9-16/h3,5-6,9,12,14,19H,7-8,10-11,13,15,27H2,1H3,(H2,28,35)/t19-,25-
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n/an/a 14n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50012060
PNG
(CHEMBL3263640)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C34H35N7O3/c1-21-26(6-5-7-27(21)38-32(42)22-8-12-24(13-9-22)34(2,3)4)29-39-30-28(35-20-36-30)31(40-29)37-25-14-10-23(11-15-25)33(43)41-16-18-44-19-17-41/h5-15,20H,16-19H2,1-4H3,(H,38,42)(H2,35,36,37,39,40)
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin)


Bioorg Med Chem Lett 24: 2206-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.075
BindingDB Entry DOI: 10.7270/Q2K075TC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394260
PNG
(US9975882, Example 51)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C4CC4)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C28H31N7O2/c1-2-4-23(36)33-10-9-28(17-33)12-22(13-28)35-26(29)24(27(30)37)25(32-35)21-14-31-34(16-21)15-18-5-3-6-20(11-18)19-7-8-19/h3,5-6,11,14,16,19,22H,7-10,12-13,15,17,29H2,1H3,(H2,30,37)/t22-,28-
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n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394253
PNG
(US9975882, Example 44)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C25H27N7O2/c1-2-6-20(33)30-10-9-25(16-30)11-19(12-25)32-23(26)21(24(27)34)22(29-32)18-13-28-31(15-18)14-17-7-4-3-5-8-17/h3-5,7-8,13,15,19H,9-12,14,16,26H2,1H3,(H2,27,34)/t19-,25-
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n/an/a 20n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394231
PNG
(US9975882, Example 22)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C26H26F3N7O2/c1-2-4-20(37)34-8-7-25(15-34)10-19(11-25)36-23(30)21(24(31)38)22(33-36)17-12-32-35(14-17)13-16-5-3-6-18(9-16)26(27,28)29/h3,5-6,9,12,14,19H,7-8,10-11,13,15,30H2,1H3,(H2,31,38)/t19-,25-
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n/an/a 21n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394245
PNG
(US9975882, Example 36)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)F)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C26H27F2N7O2/c1-2-4-20(36)33-8-7-26(15-33)10-19(11-26)35-24(29)21(25(30)37)22(32-35)18-12-31-34(14-18)13-16-5-3-6-17(9-16)23(27)28/h3,5-6,9,12,14,19,23H,7-8,10-11,13,15,29H2,1H3,(H2,30,37)/t19-,26-
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n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM400820
PNG
(QL-XII-45 | US10000483, Compound II-13)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)
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n/an/a 27n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394256
PNG
(US9975882, Example 47)
Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C25H24F3N7O2/c1-2-4-19(36)33-13-24(14-33)8-18(9-24)35-22(29)20(23(30)37)21(32-35)16-10-31-34(12-16)11-15-5-3-6-17(7-15)25(26,27)28/h3,5-7,10,12,18H,8-9,11,13-14,29H2,1H3,(H2,30,37)
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n/an/a 34n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394269
PNG
(US9975882, Example 60)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4F)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C25H26FN7O2/c1-2-5-20(34)31-9-8-25(15-31)10-18(11-25)33-23(27)21(24(28)35)22(30-33)17-12-29-32(14-17)13-16-6-3-4-7-19(16)26/h3-4,6-7,12,14,18H,8-11,13,15,27H2,1H3,(H2,28,35)/t18-,25-
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n/an/a 35n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394263
PNG
(US9975882, Example 54)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4Cl)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C25H26ClN7O2/c1-2-5-20(34)31-9-8-25(15-31)10-18(11-25)33-23(27)21(24(28)35)22(30-33)17-12-29-32(14-17)13-16-6-3-4-7-19(16)26/h3-4,6-7,12,14,18H,8-11,13,15,27H2,1H3,(H2,28,35)/t18-,25-
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n/an/a 35n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394268
PNG
(US9975882, Example 59)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4F)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C25H25F2N7O2/c1-2-4-19(35)32-8-7-25(14-32)9-17(10-25)34-23(28)20(24(29)36)22(31-34)16-11-30-33(13-16)12-15-5-3-6-18(26)21(15)27/h3,5-6,11,13,17H,7-10,12,14,28H2,1H3,(H2,29,36)/t17-,25-
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n/an/a 36n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM291522
PNG
(1-(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...)
Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)
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n/an/a 38n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytoplasmic full length His-tagged TEC expressed in baculovirus by Z'-LYTE assay


J Med Chem 61: 2227-2245 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01712
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394267
PNG
(US9975882, Example 58)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(Cl)c(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C26H25ClF3N7O2/c1-2-3-20(38)35-7-6-25(14-35)9-17(10-25)37-23(31)21(24(32)39)22(34-37)16-11-33-36(13-16)12-15-4-5-19(27)18(8-15)26(28,29)30/h4-5,8,11,13,17H,6-7,9-10,12,14,31H2,1H3,(H2,32,39)/t17-,25-
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n/an/a 38n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394237
PNG
(US9975882, Example 28)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C25H26FN7O2/c1-2-4-20(34)31-8-7-25(15-31)10-19(11-25)33-23(27)21(24(28)35)22(30-33)17-12-29-32(14-17)13-16-5-3-6-18(26)9-16/h3,5-6,9,12,14,19H,7-8,10-11,13,15,27H2,1H3,(H2,28,35)/t19-,25-
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50123457
PNG
(CHEMBL3622193)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C34H33FN6O3/c1-39(2)22-10-7-20(8-11-22)33(43)38-27-6-4-5-24(30(27)35)23-13-14-26(32(36)42)31-29(23)25-12-9-21(19-28(25)37-31)34(44)41-17-15-40(3)16-18-41/h4-14,19,37H,15-18H2,1-3H3,(H2,36,42)(H,38,43)
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n/an/a 41n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.102
BindingDB Entry DOI: 10.7270/Q2251M17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394271
PNG
(5-amino-1-(7-but-2-ynoyl-7-azaspiro[3.4]octan-2-yl...)
Show SMILES CC#CC(=O)N1CCC2(CC(C2)C2(CC=C(OC(C)C)C(N)=C2)NC(=O)c2cn[nH]c2)C1
Show InChI InChI=1/C24H31N5O3/c1-4-5-21(30)29-9-8-23(15-29)10-18(11-23)24(28-22(31)17-13-26-27-14-17)7-6-20(19(25)12-24)32-16(2)3/h6,12-14,16,18H,7-11,15,25H2,1-3H3,(H,26,27)(H,28,31)
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n/an/a 44n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394212
PNG
(US9975882, Example 3)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4Cl)C(F)(F)F)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C26H25ClF3N7O2/c1-2-4-19(38)35-8-7-25(14-35)9-17(10-25)37-23(31)20(24(32)39)22(34-37)16-11-33-36(13-16)12-15-5-3-6-18(21(15)27)26(28,29)30/h3,5-6,11,13,17H,7-10,12,14,31H2,1H3,(H2,32,39)/t17-,25-
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n/an/a 45n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394262
PNG
(US9975882, Example 53)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4Cl)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C25H25ClFN7O2/c1-2-4-19(35)32-8-7-25(14-32)9-17(10-25)34-23(28)20(24(29)36)22(31-34)16-11-30-33(13-16)12-15-5-3-6-18(27)21(15)26/h3,5-6,11,13,17H,7-10,12,14,28H2,1H3,(H2,29,36)/t17-,25-
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n/an/a 47n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394242
PNG
(US9975882, Example 33)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4F)C(F)(F)F)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C26H25F4N7O2/c1-2-4-19(38)35-8-7-25(14-35)9-17(10-25)37-23(31)20(24(32)39)22(34-37)16-11-33-36(13-16)12-15-5-3-6-18(21(15)27)26(28,29)30/h3,5-6,11,13,17H,7-10,12,14,31H2,1H3,(H2,32,39)/t17-,25-
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n/an/a 48n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394241
PNG
(US9975882, Example 32)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(ccc4F)C(F)(F)F)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C26H25F4N7O2/c1-2-3-20(38)35-7-6-25(14-35)9-18(10-25)37-23(31)21(24(32)39)22(34-37)16-11-33-36(13-16)12-15-8-17(26(28,29)30)4-5-19(15)27/h4-5,8,11,13,18H,6-7,9-10,12,14,31H2,1H3,(H2,32,39)/t18-,25-
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n/an/a 49n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM400821
PNG
(QL-XII-46 | US10000483, Compound II-14)
Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C26H19N5O2/c1-2-24(32)30-10-9-16-3-6-20(12-23(16)30)31-25(33)8-5-18-13-27-22-7-4-17(11-21(22)26(18)31)19-14-28-29-15-19/h2-8,11-15H,1,9-10H2,(H,28,29)
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n/an/a 57n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
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n/an/a 57n/an/an/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tec


J Med Chem 58: 5437-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00734
BindingDB Entry DOI: 10.7270/Q25B047D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM267959
PNG
(4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...)
Show SMILES COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1/C27H25F4N7O3/c1-41-14-21(39)37-9-2-3-16(13-37)25-36-22(23-24(32)34-8-10-38(23)25)18-5-4-15(11-19(18)28)26(40)35-20-12-17(6-7-33-20)27(29,30)31/h4-8,10-12,16H,2-3,9,13-14H2,1H3,(H2,32,34)(H,33,35,40)/t16-/s2
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n/an/a 63n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin)


Bioorg Med Chem Lett 27: 3939-3943 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394239
PNG
(US9975882, Example 30)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(F)c(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C26H25F4N7O2/c1-2-3-20(38)35-7-6-25(14-35)9-17(10-25)37-23(31)21(24(32)39)22(34-37)16-11-33-36(13-16)12-15-4-5-19(27)18(8-15)26(28,29)30/h4-5,8,11,13,17H,6-7,9-10,12,14,31H2,1H3,(H2,32,39)/t17-,25-
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394215
PNG
(US9975882, Example 6)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4C)C(F)(F)F)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C27H28F3N7O2/c1-3-5-21(38)35-9-8-26(15-35)10-19(11-26)37-24(31)22(25(32)39)23(34-37)18-12-33-36(14-18)13-17-6-4-7-20(16(17)2)27(28,29)30/h4,6-7,12,14,19H,8-11,13,15,31H2,1-2H3,(H2,32,39)/t19-,26-
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n/an/a 65n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394236
PNG
(US9975882, Example 27)
Show SMILES CNc1c(C(N)=O)c(nn1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C#CC)-c1cnn(Cc2cccc(Cl)c2)c1
Show InChI InChI=1S/C26H28ClN7O2/c1-3-5-21(35)32-9-8-26(16-32)11-20(12-26)34-25(29-2)22(24(28)36)23(31-34)18-13-30-33(15-18)14-17-6-4-7-19(27)10-17/h4,6-7,10,13,15,20,29H,8-9,11-12,14,16H2,1-2H3,(H2,28,36)/t20-,26-
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n/an/a 66n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394264
PNG
(US9975882, Example 55)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(F)ccc4Cl)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C25H25ClFN7O2/c1-2-3-20(35)32-7-6-25(14-32)9-18(10-25)34-23(28)21(24(29)36)22(31-34)16-11-30-33(13-16)12-15-8-17(27)4-5-19(15)26/h4-5,8,11,13,18H,6-7,9-10,12,14,28H2,1H3,(H2,29,36)/t18-,25-
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n/an/a 67n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394220
PNG
(US9975882, Example 11)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4C#N)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C26H26N8O2/c1-2-5-21(35)32-9-8-26(16-32)10-20(11-26)34-24(28)22(25(29)36)23(31-34)19-13-30-33(15-19)14-18-7-4-3-6-17(18)12-27/h3-4,6-7,13,15,20H,8-11,14,16,28H2,1H3,(H2,29,36)/t20-,26-
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n/an/a 73n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50357312
PNG
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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n/an/a 77.8n/an/an/an/an/an/a



Pharmacyclics LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction condition...


US Patent US9278100 (2016)


BindingDB Entry DOI: 10.7270/Q20C4TMX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50357312
PNG
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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US Patent
n/an/a 77.8n/an/an/an/an/an/a



PHARMACYCLICS LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...


US Patent US9181263 (2015)


BindingDB Entry DOI: 10.7270/Q2765D5Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394238
PNG
(US9975882, Example 29)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(F)cc4)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C25H26FN7O2/c1-2-3-20(34)31-9-8-25(15-31)10-19(11-25)33-23(27)21(24(28)35)22(30-33)17-12-29-32(14-17)13-16-4-6-18(26)7-5-16/h4-7,12,14,19H,8-11,13,15,27H2,1H3,(H2,28,35)/t19-,25-
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n/an/a 79n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394223
PNG
(US9975882, Example 14)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(n4)C(F)(F)F)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C25H25F3N8O2/c1-2-4-19(37)34-8-7-24(14-34)9-17(10-24)36-22(29)20(23(30)38)21(33-36)15-11-31-35(12-15)13-16-5-3-6-18(32-16)25(26,27)28/h3,5-6,11-12,17H,7-10,13-14,29H2,1H3,(H2,30,38)/t17-,24-
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n/an/a 92n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394221
PNG
(US9975882, Example 12)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4C(F)(F)F)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C26H26F3N7O2/c1-2-5-20(37)34-9-8-25(15-34)10-18(11-25)36-23(30)21(24(31)38)22(33-36)17-12-32-35(14-17)13-16-6-3-4-7-19(16)26(27,28)29/h3-4,6-7,12,14,18H,8-11,13,15,30H2,1H3,(H2,31,38)/t18-,25-
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n/an/a 92n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394261
PNG
(US9975882, Example 52)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cn(Cc4cccc(C)c4)nc3C)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C27H31N7O2/c1-4-6-22(35)32-10-9-27(16-32)12-20(13-27)34-25(28)23(26(29)36)24(31-34)21-15-33(30-18(21)3)14-19-8-5-7-17(2)11-19/h5,7-8,11,15,20H,9-10,12-14,16,28H2,1-3H3,(H2,29,36)/t20-,27-
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n/an/a 100n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM97672
PNG
(US8476284, 40 | US9133201, 10 | US9181263, 9 | US9...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C
Show InChI InChI=1/C26H26N6O2/c1-2-22(33)30-18-10-12-19(13-11-18)32-26-23(25(27)28-16-29-26)24(31-32)17-8-14-21(15-9-17)34-20-6-4-3-5-7-20/h2-9,14-16,18-19H,1,10-13H2,(H,30,33)(H2,27,28,29)/t18-,19+
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n/an/a 108n/an/an/an/an/an/a



Pharmacyclics LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction condition...


US Patent US9278100 (2016)


BindingDB Entry DOI: 10.7270/Q20C4TMX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM97672
PNG
(US8476284, 40 | US9133201, 10 | US9181263, 9 | US9...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C
Show InChI InChI=1/C26H26N6O2/c1-2-22(33)30-18-10-12-19(13-11-18)32-26-23(25(27)28-16-29-26)24(31-32)17-8-14-21(15-9-17)34-20-6-4-3-5-7-20/h2-9,14-16,18-19H,1,10-13H2,(H,30,33)(H2,27,28,29)/t18-,19+
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n/an/a 108n/an/an/an/an/an/a



PHARMACYCLICS LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...


US Patent US9181263 (2015)


BindingDB Entry DOI: 10.7270/Q2765D5Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394227
PNG
(US9975882, Example 18)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(c3)[C@H](C)c3cccc(c3)C(F)(F)F)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C27H28F3N7O2/c1-3-5-21(38)35-9-8-26(15-35)11-20(12-26)37-24(31)22(25(32)39)23(34-37)18-13-33-36(14-18)16(2)17-6-4-7-19(10-17)27(28,29)30/h4,6-7,10,13-14,16,20H,8-9,11-12,15,31H2,1-2H3,(H2,32,39)/t16-,20-,26-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50269615
PNG
(CHEMBL4095253)
Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1
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n/an/a 115n/an/an/an/an/an/a



Sichuan University and Collaborative Innovation Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged TEC (174 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins f...


Bioorg Med Chem Lett 27: 4171-4175 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50123455
PNG
(CHEMBL3621496)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
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n/an/a 116n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.102
BindingDB Entry DOI: 10.7270/Q2251M17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394265
PNG
(US9975882, Example 56)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4C(F)(F)F)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C26H25F4N7O2/c1-2-4-19(38)35-8-7-25(14-35)9-17(10-25)37-23(31)20(24(32)39)22(34-37)16-11-33-36(13-16)12-15-5-3-6-18(27)21(15)26(28,29)30/h3,5-6,11,13,17H,7-10,12,14,31H2,1H3,(H2,32,39)/t17-,25-
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n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394219
PNG
(US9975882, Example 10)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4C#N)C(F)(F)F)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C27H25F3N8O2/c1-2-4-21(39)36-8-7-26(15-36)9-18(10-26)38-24(32)22(25(33)40)23(35-38)17-12-34-37(14-17)13-16-5-3-6-20(19(16)11-31)27(28,29)30/h3,5-6,12,14,18H,7-10,13,15,32H2,1H3,(H2,33,40)/t18-,26-
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n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM394217
PNG
(US9975882, Example 8)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(ccc4Cl)C(F)(F)F)c3)c(C(N)=O)c2N)C1
Show InChI InChI=1S/C26H25ClF3N7O2/c1-2-3-20(38)35-7-6-25(14-35)9-18(10-25)37-23(31)21(24(32)39)22(34-37)16-11-33-36(13-16)12-15-8-17(26(28,29)30)4-5-19(15)27/h4-5,8,11,13,18H,6-7,9-10,12,14,31H2,1H3,(H2,32,39)/t18-,25-
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n/an/a 130n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...


US Patent US9975882 (2018)

More data for this
Ligand-Target Pair
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