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Compile Data Set for Download or QSAR

Found 412 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 |r|
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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))
BDBM209866
PNG
(PF-06651600 | US9617258, Example 5)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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679n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human His-tagged TEC by KT178 probe based TR-FRET assay


J Med Chem 60: 1971-1993 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01694
BindingDB Entry DOI: 10.7270/Q2TX3JC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM458238
PNG
(US10752615, Compound 136)
Show SMILES C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccnc4[nH]ccc34)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.39,-6.68,;-4.99,-5.2,;-3.51,-4.8,;-2.42,-5.89,;-3.11,-3.31,;-1.64,-2.84,;-1.64,-1.3,;-3.11,-.82,;-2.34,.51,;-3.67,1.28,;-4.44,-.05,;-4.07,2.77,;-3.16,4.02,;-1.62,4.02,;-.85,5.35,;-1.62,6.68,;.69,5.35,;1.59,6.6,;3.06,6.12,;3.06,4.58,;1.59,4.11,;4.39,3.81,;4.39,2.27,;5.72,1.5,;7.06,2.27,;7.06,3.81,;8.2,4.84,;7.57,6.25,;6.04,6.09,;5.72,4.58,;-4.07,5.26,;-5.53,4.79,;-6.87,5.56,;-8.2,4.79,;-8.2,3.25,;-6.87,2.48,;-5.53,3.25,;-4.01,-2.07,)|
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US Patent
n/an/a 0.0800n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM50458600
PNG
(CHEMBL4206765 | US10752615, Compound 97)
Show SMILES C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cc[nH]c(=O)c3)nc3ccccc23)C1 |r,wU:7.6,9.11,(11.17,-39.5,;11.5,-38,;12.96,-37.53,;14.1,-38.57,;13.29,-36.02,;14.7,-35.41,;14.55,-33.87,;13.05,-33.54,;13.74,-32.16,;12.37,-31.47,;11.68,-32.85,;11.89,-30.01,;12.79,-28.75,;14.33,-28.74,;15.09,-27.41,;14.32,-26.08,;16.63,-27.39,;17.52,-26.14,;18.98,-26.6,;18.99,-28.14,;17.54,-28.62,;20.24,-29.02,;21.64,-28.38,;22.89,-29.29,;22.74,-30.82,;21.33,-31.45,;21.18,-32.99,;20.08,-30.56,;11.87,-27.5,;10.4,-27.99,;9.06,-27.23,;7.74,-28,;7.73,-29.54,;9.07,-30.31,;10.41,-29.54,;12.27,-34.87,)|
Show InChI InChI=1S/C27H25N5O3S/c1-2-24(34)31-12-10-27(16-31)14-18(15-27)32-20-6-4-3-5-19(20)29-26(32)30-25(35)22-8-7-21(36-22)17-9-11-28-23(33)13-17/h2-9,11,13,18H,1,10,12,14-16H2,(H,28,33)(H,29,30,35)/t18-,27-
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n/an/a 0.0900n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin) using fluorescently labeled peptide as substrate after 3 hrs by microfluidic mobility shift assay


ACS Med Chem Lett 9: 587-589 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00178
BindingDB Entry DOI: 10.7270/Q22V2JQN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50458600
PNG
(CHEMBL4206765 | US10752615, Compound 97)
Show SMILES C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cc[nH]c(=O)c3)nc3ccccc23)C1 |r,wU:7.6,9.11,(11.17,-39.5,;11.5,-38,;12.96,-37.53,;14.1,-38.57,;13.29,-36.02,;14.7,-35.41,;14.55,-33.87,;13.05,-33.54,;13.74,-32.16,;12.37,-31.47,;11.68,-32.85,;11.89,-30.01,;12.79,-28.75,;14.33,-28.74,;15.09,-27.41,;14.32,-26.08,;16.63,-27.39,;17.52,-26.14,;18.98,-26.6,;18.99,-28.14,;17.54,-28.62,;20.24,-29.02,;21.64,-28.38,;22.89,-29.29,;22.74,-30.82,;21.33,-31.45,;21.18,-32.99,;20.08,-30.56,;11.87,-27.5,;10.4,-27.99,;9.06,-27.23,;7.74,-28,;7.73,-29.54,;9.07,-30.31,;10.41,-29.54,;12.27,-34.87,)|
Show InChI InChI=1S/C27H25N5O3S/c1-2-24(34)31-12-10-27(16-31)14-18(15-27)32-20-6-4-3-5-19(20)29-26(32)30-25(35)22-8-7-21(36-22)17-9-11-28-23(33)13-17/h2-9,11,13,18H,1,10,12,14-16H2,(H,28,33)(H,29,30,35)/t18-,27-
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US Patent
n/an/a 0.0900n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM50458601
PNG
(CHEMBL4217959 | US10752615, Compound 138)
Show SMILES Nc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(69.86,-5.85,;68.46,-6.5,;68.32,-8.04,;66.91,-8.67,;65.66,-7.78,;65.81,-6.25,;67.21,-5.61,;64.56,-5.35,;64.55,-3.82,;63.09,-3.36,;62.2,-4.61,;63.11,-5.84,;60.66,-4.63,;59.89,-3.3,;59.9,-5.96,;58.36,-5.97,;57.44,-4.72,;55.97,-5.21,;54.63,-4.45,;53.31,-5.22,;53.3,-6.76,;54.64,-7.53,;55.98,-6.76,;57.46,-7.23,;57.94,-8.69,;59.31,-9.38,;58.62,-10.76,;57.24,-10.07,;60.12,-11.09,;60.27,-12.63,;58.86,-13.24,;57.84,-12.09,;58.53,-14.75,;59.67,-15.79,;57.07,-15.22,;56.74,-16.72,)|
Show InChI InChI=1S/C26H25N7O2S/c1-2-22(34)32-12-10-26(15-32)13-16(14-26)33-19-6-4-3-5-17(19)30-25(33)31-23(35)21-8-7-20(36-21)18-9-11-28-24(27)29-18/h2-9,11,16H,1,10,12-15H2,(H2,27,28,29)(H,30,31,35)/t16-,26-
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n/an/a 0.100n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM50458601
PNG
(CHEMBL4217959 | US10752615, Compound 138)
Show SMILES Nc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(69.86,-5.85,;68.46,-6.5,;68.32,-8.04,;66.91,-8.67,;65.66,-7.78,;65.81,-6.25,;67.21,-5.61,;64.56,-5.35,;64.55,-3.82,;63.09,-3.36,;62.2,-4.61,;63.11,-5.84,;60.66,-4.63,;59.89,-3.3,;59.9,-5.96,;58.36,-5.97,;57.44,-4.72,;55.97,-5.21,;54.63,-4.45,;53.31,-5.22,;53.3,-6.76,;54.64,-7.53,;55.98,-6.76,;57.46,-7.23,;57.94,-8.69,;59.31,-9.38,;58.62,-10.76,;57.24,-10.07,;60.12,-11.09,;60.27,-12.63,;58.86,-13.24,;57.84,-12.09,;58.53,-14.75,;59.67,-15.79,;57.07,-15.22,;56.74,-16.72,)|
Show InChI InChI=1S/C26H25N7O2S/c1-2-22(34)32-12-10-26(15-32)13-16(14-26)33-19-6-4-3-5-17(19)30-25(33)31-23(35)21-8-7-20(36-21)18-9-11-28-24(27)29-18/h2-9,11,16H,1,10,12-15H2,(H2,27,28,29)(H,30,31,35)/t16-,26-
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n/an/a 0.100n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin) using fluorescently labeled peptide as substrate after 3 hrs by microfluidic mobility shift assay


ACS Med Chem Lett 9: 587-589 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00178
BindingDB Entry DOI: 10.7270/Q22V2JQN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50458604
PNG
(CHEMBL4214683 | US10752615, Compound 149)
Show SMILES Cc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(71.14,-29.4,;69.74,-30.04,;69.6,-31.58,;68.2,-32.22,;66.94,-31.32,;67.1,-29.79,;68.49,-29.15,;65.84,-28.9,;65.83,-27.36,;64.37,-26.9,;63.48,-28.16,;64.39,-29.38,;61.95,-28.17,;61.17,-26.84,;61.18,-29.51,;59.64,-29.52,;58.73,-28.27,;57.25,-28.76,;55.92,-27.99,;54.59,-28.76,;54.59,-30.31,;55.92,-31.08,;57.26,-30.31,;58.74,-30.78,;59.22,-32.24,;60.6,-32.93,;59.9,-34.31,;58.53,-33.61,;61.4,-34.64,;61.56,-36.17,;60.15,-36.79,;59.12,-35.64,;59.82,-38.29,;60.96,-39.33,;58.35,-38.76,;58.02,-40.26,)|
Show InChI InChI=1S/C27H26N6O2S/c1-3-24(34)32-13-11-27(16-32)14-18(15-27)33-21-7-5-4-6-19(21)30-26(33)31-25(35)23-9-8-22(36-23)20-10-12-28-17(2)29-20/h3-10,12,18H,1,11,13-16H2,2H3,(H,30,31,35)/t18-,27-
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n/an/a 0.110n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin) using fluorescently labeled peptide as substrate after 3 hrs by microfluidic mobility shift assay


ACS Med Chem Lett 9: 587-589 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00178
BindingDB Entry DOI: 10.7270/Q22V2JQN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50458604
PNG
(CHEMBL4214683 | US10752615, Compound 149)
Show SMILES Cc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(71.14,-29.4,;69.74,-30.04,;69.6,-31.58,;68.2,-32.22,;66.94,-31.32,;67.1,-29.79,;68.49,-29.15,;65.84,-28.9,;65.83,-27.36,;64.37,-26.9,;63.48,-28.16,;64.39,-29.38,;61.95,-28.17,;61.17,-26.84,;61.18,-29.51,;59.64,-29.52,;58.73,-28.27,;57.25,-28.76,;55.92,-27.99,;54.59,-28.76,;54.59,-30.31,;55.92,-31.08,;57.26,-30.31,;58.74,-30.78,;59.22,-32.24,;60.6,-32.93,;59.9,-34.31,;58.53,-33.61,;61.4,-34.64,;61.56,-36.17,;60.15,-36.79,;59.12,-35.64,;59.82,-38.29,;60.96,-39.33,;58.35,-38.76,;58.02,-40.26,)|
Show InChI InChI=1S/C27H26N6O2S/c1-3-24(34)32-13-11-27(16-32)14-18(15-27)33-21-7-5-4-6-19(21)30-26(33)31-25(35)23-9-8-22(36-23)20-10-12-28-17(2)29-20/h3-10,12,18H,1,11,13-16H2,2H3,(H,30,31,35)/t18-,27-
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n/an/a 0.110n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458249
PNG
(US10752615, Compound 147)
Show SMILES Cc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,4.58,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;5.63,1.5,;6.96,2.27,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
Show InChI InChI=1S/C28H27N5O2S/c1-3-25(34)32-13-11-28(17-32)15-20(16-28)33-22-7-5-4-6-21(22)30-27(33)31-26(35)24-9-8-23(36-24)19-10-12-29-18(2)14-19/h3-10,12,14,20H,1,11,13,15-17H2,2H3,(H,30,31,35)/t20-,28-
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n/an/a 0.120n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458200
PNG
(US10752615, Compound 96)
Show SMILES COc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(7.62,-.83,;6.29,-.06,;6.3,1.48,;4.95,2.27,;4.95,3.81,;6.28,4.58,;7.64,3.81,;7.64,2.26,;3.62,4.58,;3.62,6.12,;2.15,6.6,;1.25,5.35,;2.15,4.11,;-.29,5.35,;-1.06,6.68,;-1.06,4.02,;-2.6,4.02,;-3.51,5.26,;-4.97,4.79,;-6.31,5.56,;-7.64,4.79,;-7.64,3.25,;-6.31,2.48,;-4.97,3.25,;-3.51,2.77,;-3.11,1.28,;-1.78,.51,;-2.55,-.82,;-3.88,-.05,;-1.08,-1.3,;-1.08,-2.84,;-2.55,-3.31,;-3.45,-2.07,;-2.94,-4.8,;-1.86,-5.89,;-4.43,-5.2,;-4.83,-6.68,)|
Show InChI InChI=1S/C28H27N5O3S/c1-3-25(34)32-13-11-28(17-32)15-19(16-28)33-21-7-5-4-6-20(21)30-27(33)31-26(35)23-9-8-22(37-23)18-10-12-29-24(14-18)36-2/h3-10,12,14,19H,1,11,13,15-17H2,2H3,(H,30,31,35)/t19-,28-
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n/an/a 0.150n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458248
PNG
(US10752615, Compound 146)
Show SMILES OCc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;4.96,4.58,;3.63,3.81,;3.63,2.27,;4.96,1.5,;6.3,2.27,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
Show InChI InChI=1S/C28H27N5O3S/c1-2-25(35)32-12-10-28(17-32)14-20(15-28)33-22-6-4-3-5-21(22)30-27(33)31-26(36)24-8-7-23(37-24)18-9-11-29-19(13-18)16-34/h2-9,11,13,20,34H,1,10,12,14-17H2,(H,30,31,36)/t20-,28-
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n/an/a 0.160n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM50458588
PNG
(CHEMBL4219011 | US10752615, Compound 131)
Show SMILES CNc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:27.33,25.28,(47.22,-29.18,;45.97,-28.29,;44.57,-28.94,;43.31,-28.05,;41.92,-28.68,;41.77,-30.22,;43.02,-31.11,;44.42,-30.48,;40.67,-27.79,;40.66,-26.26,;39.19,-25.8,;38.3,-27.05,;39.21,-28.28,;36.77,-27.07,;35.99,-25.74,;36.01,-28.4,;34.47,-28.41,;33.55,-27.16,;32.08,-27.65,;30.74,-26.89,;29.41,-27.66,;29.41,-29.2,;30.74,-29.97,;32.09,-29.2,;33.56,-29.67,;34.04,-31.13,;35.42,-31.82,;34.72,-33.2,;33.35,-32.51,;36.23,-33.53,;36.38,-35.06,;34.97,-35.68,;33.95,-34.53,;34.64,-37.19,;35.78,-38.22,;33.17,-37.66,;32.85,-39.16,)|
Show InChI InChI=1S/C28H28N6O2S/c1-3-25(35)33-13-11-28(17-33)15-19(16-28)34-21-7-5-4-6-20(21)31-27(34)32-26(36)23-9-8-22(37-23)18-10-12-30-24(14-18)29-2/h3-10,12,14,19H,1,11,13,15-17H2,2H3,(H,29,30)(H,31,32,36)/t19-,28-
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n/an/a 0.160n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin) using fluorescently labeled peptide as substrate after 3 hrs by microfluidic mobility shift assay


ACS Med Chem Lett 9: 587-589 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00178
BindingDB Entry DOI: 10.7270/Q22V2JQN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50458588
PNG
(CHEMBL4219011 | US10752615, Compound 131)
Show SMILES CNc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:27.33,25.28,(47.22,-29.18,;45.97,-28.29,;44.57,-28.94,;43.31,-28.05,;41.92,-28.68,;41.77,-30.22,;43.02,-31.11,;44.42,-30.48,;40.67,-27.79,;40.66,-26.26,;39.19,-25.8,;38.3,-27.05,;39.21,-28.28,;36.77,-27.07,;35.99,-25.74,;36.01,-28.4,;34.47,-28.41,;33.55,-27.16,;32.08,-27.65,;30.74,-26.89,;29.41,-27.66,;29.41,-29.2,;30.74,-29.97,;32.09,-29.2,;33.56,-29.67,;34.04,-31.13,;35.42,-31.82,;34.72,-33.2,;33.35,-32.51,;36.23,-33.53,;36.38,-35.06,;34.97,-35.68,;33.95,-34.53,;34.64,-37.19,;35.78,-38.22,;33.17,-37.66,;32.85,-39.16,)|
Show InChI InChI=1S/C28H28N6O2S/c1-3-25(35)33-13-11-28(17-33)15-19(16-28)34-21-7-5-4-6-20(21)31-27(34)32-26(36)23-9-8-22(37-23)18-10-12-30-24(14-18)29-2/h3-10,12,14,19H,1,11,13,15-17H2,2H3,(H,29,30)(H,31,32,36)/t19-,28-
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GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458247
PNG
(US10752615, Compound 145)
Show SMILES CNc1cc(ncn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;4.96,4.58,;3.63,3.81,;3.63,2.27,;4.96,1.5,;6.3,2.27,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
Show InChI InChI=1S/C27H27N7O2S/c1-3-24(35)33-11-10-27(15-33)13-17(14-27)34-20-7-5-4-6-18(20)31-26(34)32-25(36)22-9-8-21(37-22)19-12-23(28-2)30-16-29-19/h3-9,12,16-17H,1,10-11,13-15H2,2H3,(H,28,29,30)(H,31,32,36)/t17-,27-
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GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458242
PNG
(US10752615, Compound 140)
Show SMILES CNc1cncc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
Show InChI InChI=1S/C27H27N7O2S/c1-3-24(35)33-11-10-27(16-33)12-17(13-27)34-20-7-5-4-6-18(20)31-26(34)32-25(36)22-9-8-21(37-22)19-14-29-15-23(28-2)30-19/h3-9,14-15,17H,1,10-13,16H2,2H3,(H,28,30)(H,31,32,36)/t17-,27-
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n/an/a 0.190n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458213
PNG
(US10752615, Compound 110)
Show SMILES C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccncc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
Show InChI InChI=1S/C27H25N5O2S/c1-2-24(33)31-14-11-27(17-31)15-19(16-27)32-21-6-4-3-5-20(21)29-26(32)30-25(34)23-8-7-22(35-23)18-9-12-28-13-10-18/h2-10,12-13,19H,1,11,14-17H2,(H,29,30,34)/t19-,27-
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n/an/a 0.190n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458230
PNG
(US10752615, Compound 128)
Show SMILES Nc1cncc(c1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,4.58,;6.96,3.81,;6.96,2.27,;5.63,1.5,;4.29,2.27,;4.29,3.81,;5.63,4.58,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
Show InChI InChI=1S/C27H26N6O2S/c1-2-24(34)32-10-9-27(16-32)12-19(13-27)33-21-6-4-3-5-20(21)30-26(33)31-25(35)23-8-7-22(36-23)17-11-18(28)15-29-14-17/h2-8,11,14-15,19H,1,9-10,12-13,16,28H2,(H,30,31,35)/t19-,27-
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n/an/a 0.200n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM50458587
PNG
(CHEMBL4207292)
Show SMILES Nc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(45.45,-6.32,;44.05,-6.96,;42.79,-6.07,;41.4,-6.71,;41.25,-8.25,;42.5,-9.14,;43.9,-8.5,;40.15,-5.82,;40.13,-4.29,;38.67,-3.83,;37.78,-5.08,;38.69,-6.31,;36.25,-5.09,;35.47,-3.76,;35.49,-6.43,;33.95,-6.44,;33.03,-5.19,;31.56,-5.68,;30.22,-4.91,;28.89,-5.69,;28.89,-7.23,;30.22,-8,;31.56,-7.23,;33.04,-7.7,;33.52,-9.16,;34.9,-9.85,;34.2,-11.23,;32.83,-10.54,;35.71,-11.56,;35.86,-13.09,;34.45,-13.71,;33.42,-12.56,;34.12,-15.22,;35.26,-16.25,;32.65,-15.68,;32.32,-17.19,)|
Show InChI InChI=1S/C27H26N6O2S/c1-2-24(34)32-12-10-27(16-32)14-18(15-27)33-20-6-4-3-5-19(20)30-26(33)31-25(35)22-8-7-21(36-22)17-9-11-29-23(28)13-17/h2-9,11,13,18H,1,10,12,14-16H2,(H2,28,29)(H,30,31,35)/t18-,27-
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n/an/a 0.200n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin) using fluorescently labeled peptide as substrate after 3 hrs by microfluidic mobility shift assay


ACS Med Chem Lett 9: 587-589 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00178
BindingDB Entry DOI: 10.7270/Q22V2JQN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM458216
PNG
(US10752615, Compound 114)
Show SMILES C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccnnc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
Show InChI InChI=1S/C26H24N6O2S/c1-2-23(33)31-12-10-26(16-31)13-18(14-26)32-20-6-4-3-5-19(20)29-25(32)30-24(34)22-8-7-21(35-22)17-9-11-27-28-15-17/h2-9,11,15,18H,1,10,12-14,16H2,(H,29,30,34)/t18-,26-
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n/an/a 0.230n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458227
PNG
(US10752615, Compound 125)
Show SMILES Fc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(6.3,-.04,;6.3,1.5,;4.96,2.27,;4.96,3.81,;6.3,4.58,;7.63,3.81,;7.63,2.27,;3.63,4.58,;3.63,6.12,;2.16,6.6,;1.26,5.35,;2.16,4.11,;-.28,5.35,;-1.05,6.68,;-1.05,4.02,;-2.59,4.02,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.5,2.77,;-3.1,1.28,;-1.76,.51,;-2.53,-.82,;-3.87,-.05,;-1.07,-1.3,;-1.07,-2.84,;-2.53,-3.31,;-3.44,-2.07,;-2.93,-4.8,;-1.84,-5.89,;-4.42,-5.2,;-4.82,-6.68,)|
Show InChI InChI=1S/C27H24FN5O2S/c1-2-24(34)32-12-10-27(16-32)14-18(15-27)33-20-6-4-3-5-19(20)30-26(33)31-25(35)22-8-7-21(36-22)17-9-11-29-23(28)13-17/h2-9,11,13,18H,1,10,12,14-16H2,(H,30,31,35)/t18-,27-
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n/an/a 0.230n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458243
PNG
(US10752615, Compound 141)
Show SMILES Nc1cc(ncn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,4.58,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;5.63,1.5,;6.96,2.27,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
Show InChI InChI=1S/C26H25N7O2S/c1-2-23(34)32-10-9-26(14-32)12-16(13-26)33-19-6-4-3-5-17(19)30-25(33)31-24(35)21-8-7-20(36-21)18-11-22(27)29-15-28-18/h2-8,11,15-16H,1,9-10,12-14H2,(H2,27,28,29)(H,30,31,35)/t16-,26-
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n/an/a 0.260n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458235
PNG
(US10752615, Compound 133)
Show SMILES C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccncn3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
Show InChI InChI=1S/C26H24N6O2S/c1-2-23(33)31-12-10-26(15-31)13-17(14-26)32-20-6-4-3-5-18(20)29-25(32)30-24(34)22-8-7-21(35-22)19-9-11-27-16-28-19/h2-9,11,16-17H,1,10,12-15H2,(H,29,30,34)/t17-,26-
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n/an/a 0.280n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458244
PNG
(US10752615, Compound 142)
Show SMILES CNc1cncc(c1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
Show InChI InChI=1S/C28H28N6O2S/c1-3-25(35)33-11-10-28(17-33)13-20(14-28)34-22-7-5-4-6-21(22)31-27(34)32-26(36)24-9-8-23(37-24)18-12-19(29-2)16-30-15-18/h3-9,12,15-16,20,29H,1,10-11,13-14,17H2,2H3,(H,31,32,36)/t20-,28-
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n/an/a 0.350n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458239
PNG
(US10752615, Compound 137)
Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
Show InChI InChI=1S/C27H27N7O2S/c1-3-23(35)33-13-11-27(16-33)14-17(15-27)34-20-7-5-4-6-18(20)31-26(34)32-24(36)22-9-8-21(37-22)19-10-12-29-25(28-2)30-19/h3-10,12,17H,1,11,13-16H2,2H3,(H,28,29,30)(H,31,32,36)/t17-,27-
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n/an/a 0.370n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458241
PNG
(US10752615, Compound 139)
Show SMILES CNc1cccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
Show InChI InChI=1S/C28H28N6O2S/c1-3-25(35)33-14-13-28(17-33)15-18(16-28)34-21-9-5-4-7-19(21)31-27(34)32-26(36)23-12-11-22(37-23)20-8-6-10-24(29-2)30-20/h3-12,18H,1,13-17H2,2H3,(H,29,30)(H,31,32,36)/t18-,28-
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n/an/a 0.380n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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 0.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TEC using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA


J Med Chem 61: 4608-4627 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00441
BindingDB Entry DOI: 10.7270/Q2B85BRC
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 0.570n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured af...


J Med Chem 62: 7923-7940 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00687
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 0.570n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured af...


J Med Chem 62: 7923-7940 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00687
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM458252
PNG
(US10752615, Compound 150)
Show SMILES Cc1cc(ncn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(6.3,-.04,;6.3,1.5,;4.96,2.27,;4.96,3.81,;6.3,4.58,;7.63,3.81,;7.63,2.27,;3.63,4.58,;3.63,6.12,;2.16,6.6,;1.26,5.35,;2.16,4.11,;-.28,5.35,;-1.05,6.68,;-1.05,4.02,;-2.59,4.02,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.5,2.77,;-3.1,1.28,;-1.76,.51,;-2.53,-.82,;-3.87,-.05,;-1.07,-1.3,;-1.07,-2.84,;-2.53,-3.31,;-3.44,-2.07,;-2.93,-4.8,;-1.84,-5.89,;-4.42,-5.2,;-4.82,-6.68,)|
Show InChI InChI=1S/C27H26N6O2S/c1-3-24(34)32-11-10-27(15-32)13-18(14-27)33-21-7-5-4-6-19(21)30-26(33)31-25(35)23-9-8-22(36-23)20-12-17(2)28-16-29-20/h3-9,12,16,18H,1,10-11,13-15H2,2H3,(H,30,31,35)/t18-,27-
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n/an/a 0.610n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM50458592
PNG
(CHEMBL4211372 | US10752615, Compound 16)
Show SMILES C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3ccccc23)C1 |r,wU:7.6,9.11,(34.53,-42.18,;34.86,-40.68,;36.33,-40.21,;37.47,-41.25,;36.66,-38.71,;38.07,-38.09,;37.92,-36.56,;36.41,-36.23,;37.11,-34.85,;35.73,-34.16,;35.04,-35.53,;35.25,-32.7,;36.16,-31.44,;37.7,-31.43,;38.46,-30.09,;37.68,-28.76,;39.99,-30.08,;40.89,-28.83,;42.36,-29.29,;42.37,-30.83,;40.9,-31.32,;43.62,-31.73,;45.08,-31.25,;45.99,-32.49,;45.09,-33.74,;43.63,-33.27,;35.24,-30.19,;33.76,-30.68,;32.43,-29.91,;31.1,-30.68,;31.1,-32.23,;32.43,-33,;33.77,-32.23,;35.63,-37.56,)|
Show InChI InChI=1S/C25H23N5O3S/c1-2-22(31)29-10-9-25(14-29)11-16(12-25)30-18-6-4-3-5-17(18)27-24(30)28-23(32)21-8-7-20(34-21)19-13-26-15-33-19/h2-8,13,15-16H,1,9-12,14H2,(H,27,28,32)/t16-,25-
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n/an/a 0.620n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM50458592
PNG
(CHEMBL4211372 | US10752615, Compound 16)
Show SMILES C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3ccccc23)C1 |r,wU:7.6,9.11,(34.53,-42.18,;34.86,-40.68,;36.33,-40.21,;37.47,-41.25,;36.66,-38.71,;38.07,-38.09,;37.92,-36.56,;36.41,-36.23,;37.11,-34.85,;35.73,-34.16,;35.04,-35.53,;35.25,-32.7,;36.16,-31.44,;37.7,-31.43,;38.46,-30.09,;37.68,-28.76,;39.99,-30.08,;40.89,-28.83,;42.36,-29.29,;42.37,-30.83,;40.9,-31.32,;43.62,-31.73,;45.08,-31.25,;45.99,-32.49,;45.09,-33.74,;43.63,-33.27,;35.24,-30.19,;33.76,-30.68,;32.43,-29.91,;31.1,-30.68,;31.1,-32.23,;32.43,-33,;33.77,-32.23,;35.63,-37.56,)|
Show InChI InChI=1S/C25H23N5O3S/c1-2-22(31)29-10-9-25(14-29)11-16(12-25)30-18-6-4-3-5-17(18)27-24(30)28-23(32)21-8-7-20(34-21)19-13-26-15-33-19/h2-8,13,15-16H,1,9-12,14H2,(H,27,28,32)/t16-,25-
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n/an/a 0.620n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin) using fluorescently labeled peptide as substrate after 3 hrs by microfluidic mobility shift assay


ACS Med Chem Lett 9: 587-589 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00178
BindingDB Entry DOI: 10.7270/Q22V2JQN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM458194
PNG
(US10752615, Compound 90)
Show SMILES C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cccnc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
Show InChI InChI=1S/C27H25N5O2S/c1-2-24(33)31-13-11-27(17-31)14-19(15-27)32-21-8-4-3-7-20(21)29-26(32)30-25(34)23-10-9-22(35-23)18-6-5-12-28-16-18/h2-10,12,16,19H,1,11,13-15,17H2,(H,29,30,34)/t19-,27-
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n/an/a 0.640n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM50458596
PNG
(CHEMBL4216187 | US10752615, Compound 50)
Show SMILES CNc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:9.11,7.6,(58.28,-26.3,;59.61,-25.53,;60.95,-26.3,;60.94,-27.84,;62.28,-28.61,;63.62,-27.84,;65.1,-28.31,;65.58,-29.77,;66.95,-30.46,;66.26,-31.84,;64.89,-31.15,;67.76,-32.17,;67.91,-33.7,;66.5,-34.32,;65.48,-33.17,;66.18,-35.83,;67.31,-36.87,;64.71,-36.3,;64.38,-37.8,;66,-27.05,;67.54,-27.04,;68.3,-25.71,;67.53,-24.38,;69.84,-25.69,;70.73,-24.44,;72.19,-24.9,;72.2,-26.43,;70.75,-26.92,;73.45,-27.32,;74.91,-26.84,;75.82,-28.07,;74.93,-29.32,;73.47,-28.86,;65.08,-25.8,;63.61,-26.29,;62.28,-25.53,)|
Show InChI InChI=1S/C26H26N6O3S/c1-3-23(33)31-9-8-26(14-31)11-17(12-26)32-19-5-4-16(27-2)10-18(19)29-25(32)30-24(34)22-7-6-21(36-22)20-13-28-15-35-20/h3-7,10,13,15,17,27H,1,8-9,11-12,14H2,2H3,(H,29,30,34)/t17-,26-
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n/an/a 0.670n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM50458596
PNG
(CHEMBL4216187 | US10752615, Compound 50)
Show SMILES CNc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:9.11,7.6,(58.28,-26.3,;59.61,-25.53,;60.95,-26.3,;60.94,-27.84,;62.28,-28.61,;63.62,-27.84,;65.1,-28.31,;65.58,-29.77,;66.95,-30.46,;66.26,-31.84,;64.89,-31.15,;67.76,-32.17,;67.91,-33.7,;66.5,-34.32,;65.48,-33.17,;66.18,-35.83,;67.31,-36.87,;64.71,-36.3,;64.38,-37.8,;66,-27.05,;67.54,-27.04,;68.3,-25.71,;67.53,-24.38,;69.84,-25.69,;70.73,-24.44,;72.19,-24.9,;72.2,-26.43,;70.75,-26.92,;73.45,-27.32,;74.91,-26.84,;75.82,-28.07,;74.93,-29.32,;73.47,-28.86,;65.08,-25.8,;63.61,-26.29,;62.28,-25.53,)|
Show InChI InChI=1S/C26H26N6O3S/c1-3-23(33)31-9-8-26(14-31)11-17(12-26)32-19-5-4-16(27-2)10-18(19)29-25(32)30-24(34)22-7-6-21(36-22)20-13-28-15-35-20/h3-7,10,13,15,17,27H,1,8-9,11-12,14H2,2H3,(H,29,30,34)/t17-,26-
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n/an/a 0.670n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin) using fluorescently labeled peptide as substrate after 3 hrs by microfluidic mobility shift assay


ACS Med Chem Lett 9: 587-589 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00178
BindingDB Entry DOI: 10.7270/Q22V2JQN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50458589
PNG
(CHEMBL4208358 | US10752615, Compound 57)
Show SMILES Fc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:8.10,6.5,(6.64,-6.08,;7.97,-6.84,;7.97,-8.39,;9.3,-9.16,;10.64,-8.39,;12.12,-8.86,;12.6,-10.32,;13.98,-11.01,;13.28,-12.39,;11.91,-11.7,;14.79,-12.72,;14.94,-14.25,;13.53,-14.87,;12.5,-13.72,;13.2,-16.38,;14.34,-17.41,;11.73,-16.84,;11.4,-18.35,;13.03,-7.6,;14.57,-7.59,;15.33,-6.25,;14.55,-4.92,;16.86,-6.24,;17.75,-4.98,;19.21,-5.45,;19.23,-6.98,;17.77,-7.47,;20.47,-7.87,;21.93,-7.39,;22.84,-8.62,;21.95,-9.87,;20.49,-9.4,;12.11,-6.35,;10.63,-6.84,;9.3,-6.07,)|
Show InChI InChI=1S/C25H22FN5O3S/c1-2-22(32)30-8-7-25(13-30)10-16(11-25)31-18-4-3-15(26)9-17(18)28-24(31)29-23(33)21-6-5-20(35-21)19-12-27-14-34-19/h2-6,9,12,14,16H,1,7-8,10-11,13H2,(H,28,29,33)/t16-,25-
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n/an/a 0.740n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM50458589
PNG
(CHEMBL4208358 | US10752615, Compound 57)
Show SMILES Fc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:8.10,6.5,(6.64,-6.08,;7.97,-6.84,;7.97,-8.39,;9.3,-9.16,;10.64,-8.39,;12.12,-8.86,;12.6,-10.32,;13.98,-11.01,;13.28,-12.39,;11.91,-11.7,;14.79,-12.72,;14.94,-14.25,;13.53,-14.87,;12.5,-13.72,;13.2,-16.38,;14.34,-17.41,;11.73,-16.84,;11.4,-18.35,;13.03,-7.6,;14.57,-7.59,;15.33,-6.25,;14.55,-4.92,;16.86,-6.24,;17.75,-4.98,;19.21,-5.45,;19.23,-6.98,;17.77,-7.47,;20.47,-7.87,;21.93,-7.39,;22.84,-8.62,;21.95,-9.87,;20.49,-9.4,;12.11,-6.35,;10.63,-6.84,;9.3,-6.07,)|
Show InChI InChI=1S/C25H22FN5O3S/c1-2-22(32)30-8-7-25(13-30)10-16(11-25)31-18-4-3-15(26)9-17(18)28-24(31)29-23(33)21-6-5-20(35-21)19-12-27-14-34-19/h2-6,9,12,14,16H,1,7-8,10-11,13H2,(H,28,29,33)/t16-,25-
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n/an/a 0.740n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin) using fluorescently labeled peptide as substrate after 3 hrs by microfluidic mobility shift assay


ACS Med Chem Lett 9: 587-589 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00178
BindingDB Entry DOI: 10.7270/Q22V2JQN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM458164
PNG
(US10752615, Compound 56)
Show SMILES Fc1cccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c12 |r,wU:22.23,24.26,(-6.15,.94,;-6.15,2.48,;-7.48,3.25,;-7.48,4.79,;-6.15,5.56,;-4.81,4.79,;-3.35,5.26,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,;-4.81,3.25,)|
Show InChI InChI=1S/C25H22FN5O3S/c1-2-21(32)30-9-8-25(13-30)10-15(11-25)31-22-16(26)4-3-5-17(22)28-24(31)29-23(33)20-7-6-19(35-20)18-12-27-14-34-18/h2-7,12,14-15H,1,8-11,13H2,(H,28,29,33)/t15-,25-
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n/an/a 0.780n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458162
PNG
(US10752615, Compound 54)
Show SMILES CC(C)C(=O)N(C)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:12.11,14.14,(-10.15,4.58,;-8.81,5.35,;-8.81,6.89,;-7.48,4.58,;-7.48,3.04,;-6.15,5.35,;-6.15,6.89,;-4.81,4.58,;-4.81,3.04,;-3.48,2.27,;-2.15,3.04,;-.68,2.57,;-.28,1.08,;1.05,.31,;.28,-1.03,;-1.05,-.26,;1.75,-1.5,;1.75,-3.04,;.28,-3.52,;-.62,-2.27,;-.12,-5.01,;.97,-6.09,;-1.6,-5.4,;-2,-6.89,;.22,3.81,;1.76,3.81,;2.53,5.14,;1.76,6.48,;4.07,5.14,;4.98,6.39,;6.44,5.91,;6.44,4.37,;4.98,3.9,;7.78,3.6,;9.24,4.08,;10.15,2.83,;9.24,1.59,;7.78,2.06,;-.68,5.06,;-2.15,4.58,;-3.48,5.35,)|
Show InChI InChI=1S/C30H32N6O4S/c1-5-26(37)35-11-10-30(16-35)13-20(14-30)36-22-7-6-19(34(4)28(39)18(2)3)12-21(22)32-29(36)33-27(38)25-9-8-24(41-25)23-15-31-17-40-23/h5-9,12,15,17-18,20H,1,10-11,13-14,16H2,2-4H3,(H,32,33,38)/t20-,30-
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n/an/a 0.870n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM165209
PNG
(US10604504, Example 34 | US9688629, 34 | US9802915...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3C)c2c1C)C(N)=O
Show InChI InChI=1S/C20H21N3O3S/c1-5-27(25,26)23-17-8-6-7-14(12(17)3)15-9-10-16(20(21)24)19-18(15)11(2)13(4)22-19/h5-10,22-23H,1H2,2-4H3,(H2,21,24)
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n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin)


Bioorg Med Chem Lett 28: 3080-3084 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.041
BindingDB Entry DOI: 10.7270/Q2NZ8B9C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM164638
PNG
(BDBM166759 | US10604504, Example 223 | US9688629, ...)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
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n/an/a 0.900n/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 62: 3228-3250 (2019)

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


(Homo sapiens (Human))
BDBM50458593
PNG
(CHEMBL4204572 | US10752615, Compound 30)
Show SMILES CC(F)(F)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.28,21.23,(21.07,-29.11,;21.21,-27.57,;21.97,-26.23,;22.75,-27.56,;19.96,-26.68,;19.95,-25.15,;18.49,-24.68,;17.6,-25.94,;18.51,-27.17,;16.07,-25.95,;15.29,-24.62,;15.3,-27.29,;13.76,-27.3,;12.84,-26.05,;11.37,-26.54,;10.04,-25.77,;8.71,-26.54,;8.71,-28.09,;10.04,-28.86,;11.38,-28.09,;12.86,-28.56,;13.34,-30.02,;14.72,-30.71,;14.02,-32.09,;12.65,-31.39,;15.52,-32.42,;15.68,-33.95,;14.27,-34.57,;13.24,-33.42,;13.94,-36.08,;15.08,-37.11,;12.47,-36.54,;12.14,-38.05,)|
Show InChI InChI=1S/C24H24F2N4O2S/c1-3-20(31)29-11-10-24(14-29)12-15(13-24)30-17-7-5-4-6-16(17)27-22(30)28-21(32)18-8-9-19(33-18)23(2,25)26/h3-9,15H,1,10-14H2,2H3,(H,27,28,32)/t15-,24-
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n/an/a 0.980n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin) using fluorescently labeled peptide as substrate after 3 hrs by microfluidic mobility shift assay


ACS Med Chem Lett 9: 587-589 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00178
BindingDB Entry DOI: 10.7270/Q22V2JQN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50458593
PNG
(CHEMBL4204572 | US10752615, Compound 30)
Show SMILES CC(F)(F)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.28,21.23,(21.07,-29.11,;21.21,-27.57,;21.97,-26.23,;22.75,-27.56,;19.96,-26.68,;19.95,-25.15,;18.49,-24.68,;17.6,-25.94,;18.51,-27.17,;16.07,-25.95,;15.29,-24.62,;15.3,-27.29,;13.76,-27.3,;12.84,-26.05,;11.37,-26.54,;10.04,-25.77,;8.71,-26.54,;8.71,-28.09,;10.04,-28.86,;11.38,-28.09,;12.86,-28.56,;13.34,-30.02,;14.72,-30.71,;14.02,-32.09,;12.65,-31.39,;15.52,-32.42,;15.68,-33.95,;14.27,-34.57,;13.24,-33.42,;13.94,-36.08,;15.08,-37.11,;12.47,-36.54,;12.14,-38.05,)|
Show InChI InChI=1S/C24H24F2N4O2S/c1-3-20(31)29-11-10-24(14-29)12-15(13-24)30-17-7-5-4-6-16(17)27-22(30)28-21(32)18-8-9-19(33-18)23(2,25)26/h3-9,15H,1,10-14H2,2H3,(H,27,28,32)/t15-,24-
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n/an/a 0.980n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458166
PNG
(US10752615, Compound 58)
Show SMILES Fc1ccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c2c1 |r,wU:21.22,23.25,(-8.15,2.48,;-6.81,3.25,;-6.81,4.79,;-5.48,5.56,;-4.15,4.79,;-2.68,5.26,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-4.15,3.25,;-5.48,2.48,)|
Show InChI InChI=1S/C25H22FN5O3S/c1-2-22(32)30-8-7-25(13-30)10-16(11-25)31-18-9-15(26)3-4-17(18)28-24(31)29-23(33)21-6-5-20(35-21)19-12-27-14-34-19/h2-6,9,12,14,16H,1,7-8,10-11,13H2,(H,28,29,33)/t16-,25-
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GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458171
PNG
(US10752615, Compound 63)
Show SMILES Clc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:6.5,8.8,(-8.15,5.56,;-6.81,4.79,;-6.81,3.25,;-5.48,2.48,;-4.15,3.25,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,5.26,;-4.15,4.79,;-5.48,5.56,)|
Show InChI InChI=1S/C25H22ClN5O3S/c1-2-22(32)30-8-7-25(13-30)10-16(11-25)31-18-4-3-15(26)9-17(18)28-24(31)29-23(33)21-6-5-20(35-21)19-12-27-14-34-19/h2-6,9,12,14,16H,1,7-8,10-11,13H2,(H,28,29,33)/t16-,25-
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GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458160
PNG
(US10752615, Compound 52)
Show SMILES CN(C(=O)C1CC1)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:12.12,14.15,(-6.04,6.89,;-6.04,5.35,;-7.38,4.58,;-7.38,3.04,;-8.71,5.35,;-9.48,6.68,;-10.25,5.35,;-4.71,4.58,;-4.71,3.04,;-3.38,2.27,;-2.04,3.04,;-.58,2.57,;-.18,1.08,;1.15,.31,;.38,-1.03,;-.95,-.26,;1.85,-1.5,;1.85,-3.04,;.38,-3.52,;-.52,-2.27,;-.01,-5.01,;1.07,-6.09,;-1.5,-5.4,;-1.9,-6.89,;.33,3.81,;1.87,3.81,;2.64,5.14,;1.87,6.48,;4.18,5.14,;5.08,6.39,;6.55,5.91,;6.55,4.37,;5.08,3.9,;7.88,3.6,;9.35,4.08,;10.25,2.83,;9.35,1.59,;7.88,2.06,;-.58,5.06,;-2.04,4.58,;-3.38,5.35,)|
Show InChI InChI=1S/C30H30N6O4S/c1-3-26(37)35-11-10-30(16-35)13-20(14-30)36-22-7-6-19(34(2)28(39)18-4-5-18)12-21(22)32-29(36)33-27(38)25-9-8-24(41-25)23-15-31-17-40-23/h3,6-9,12,15,17-18,20H,1,4-5,10-11,13-14,16H2,2H3,(H,32,33,38)/t20-,30-
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GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458139
PNG
(US10752615, Compound 31)
Show SMILES Nc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,1.5,;6.96,2.27,;5.63,1.5,;4.29,2.27,;4.29,3.81,;5.63,4.58,;6.96,3.81,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
Show InChI InChI=1S/C27H26N6O2S/c1-2-24(34)32-12-11-27(16-32)13-18(14-27)33-20-6-4-3-5-19(20)30-26(33)31-25(35)22-9-8-21(36-22)17-7-10-23(28)29-15-17/h2-10,15,18H,1,11-14,16H2,(H2,28,29)(H,30,31,35)/t18-,27-
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GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458161
PNG
(US10752615, Compound 53)
Show SMILES CN(C(C)=O)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:10.9,12.12,(-6.81,6.89,;-6.81,5.35,;-8.15,4.58,;-9.48,5.35,;-8.15,3.04,;-5.48,4.58,;-5.48,3.04,;-4.15,2.27,;-2.81,3.04,;-1.35,2.57,;-.95,1.08,;.38,.31,;-.39,-1.03,;-1.72,-.26,;1.08,-1.5,;1.08,-3.04,;-.39,-3.52,;-1.29,-2.27,;-.78,-5.01,;.3,-6.09,;-2.27,-5.4,;-2.67,-6.89,;-.44,3.81,;1.1,3.81,;1.87,5.14,;1.1,6.48,;3.41,5.14,;4.31,6.39,;5.78,5.91,;5.78,4.37,;4.31,3.9,;7.11,3.6,;8.58,4.08,;9.48,2.83,;8.58,1.59,;7.11,2.06,;-1.35,5.06,;-2.81,4.58,;-4.15,5.35,)|
Show InChI InChI=1S/C28H28N6O4S/c1-4-25(36)33-10-9-28(15-33)12-19(13-28)34-21-6-5-18(32(3)17(2)35)11-20(21)30-27(34)31-26(37)24-8-7-23(39-24)22-14-29-16-38-22/h4-8,11,14,16,19H,1,9-10,12-13,15H2,2-3H3,(H,30,31,37)/t19-,28-
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GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458203
PNG
(US10752615, Compound 99)
Show SMILES C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccc(=O)[nH]c3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.49,-6.68,;-5.09,-5.2,;-3.6,-4.8,;-2.51,-5.89,;-3.2,-3.31,;-1.74,-2.84,;-1.74,-1.3,;-3.2,-.82,;-2.43,.51,;-3.77,1.28,;-4.54,-.05,;-4.16,2.77,;-3.26,4.02,;-1.72,4.02,;-.95,5.35,;-1.72,6.68,;.59,5.35,;1.5,6.6,;2.96,6.12,;2.96,4.58,;1.5,4.11,;4.29,3.81,;5.63,4.58,;6.96,3.81,;6.96,2.27,;8.3,1.5,;5.63,1.5,;4.29,2.27,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.11,-2.07,)|
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GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

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


(Homo sapiens (Human))
BDBM458232
PNG
(US10752615, Compound 130)
Show SMILES OCC(F)(F)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.27,(6.89,1.5,;5.55,2.27,;5.55,3.81,;7.04,3.41,;6.64,4.9,;4.22,4.58,;4.22,6.12,;2.75,6.6,;1.85,5.35,;2.75,4.11,;.31,5.35,;-.46,6.68,;-.46,4.02,;-2,4.02,;-2.91,5.26,;-4.37,4.79,;-5.71,5.56,;-7.04,4.79,;-7.04,3.25,;-5.71,2.48,;-4.37,3.25,;-2.91,2.77,;-2.51,1.28,;-1.17,.51,;-1.94,-.82,;-3.28,-.05,;-.48,-1.3,;-.48,-2.84,;-1.94,-3.31,;-2.85,-2.07,;-2.34,-4.8,;-1.25,-5.89,;-3.83,-5.2,;-4.23,-6.68,)|
Show InChI InChI=1S/C24H24F2N4O3S/c1-2-20(32)29-10-9-23(13-29)11-15(12-23)30-17-6-4-3-5-16(17)27-22(30)28-21(33)18-7-8-19(34-18)24(25,26)14-31/h2-8,15,31H,1,9-14H2,(H,27,28,33)/t15-,23-
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n/an/a 1.31n/an/an/an/an/an/a



GB005, Inc.

US Patent


Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...


US Patent US10752615 (2020)

More data for this
Ligand-Target Pair
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