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Found 351 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BRK' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BRK


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



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of BRK


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


(Homo sapiens (human))
BDBM50354414
PNG
(CHEMBL1836842)
Show SMILES CC1(C)CNCCN1C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)cc1Cl
Show InChI InChI=1S/C25H27ClN8O/c1-25(2)14-27-7-8-34(25)24(35)18-6-5-17(9-19(18)26)31-22-23-28-12-21(16-10-29-30-11-16)33(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,27H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32)
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354415
PNG
(CHEMBL1836854)
Show SMILES Fc1cc(ccc1Nc1nc(cn2c(cnc12)-c1cn[nH]c1)C1CC1)C(=O)N1CCNCC1
Show InChI InChI=1S/C23H23FN8O/c24-17-9-15(23(33)31-7-5-25-6-8-31)3-4-18(17)29-21-22-26-12-20(16-10-27-28-11-16)32(22)13-19(30-21)14-1-2-14/h3-4,9-14,25H,1-2,5-8H2,(H,27,28)(H,29,30)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354432
PNG
(CHEMBL1836844)
Show SMILES CC1(C)CN(CCN1)C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)cc1Cl
Show InChI InChI=1S/C25H27ClN8O/c1-25(2)14-33(8-7-28-25)24(35)18-6-5-17(9-19(18)26)31-22-23-27-12-21(16-10-29-30-11-16)34(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,28H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354412
PNG
(CHEMBL1836806)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNC(=O)C3)c(Cl)c2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C21H19ClN8O2/c1-12-10-30-17(13-7-25-26-8-13)9-24-20(30)19(27-12)28-14-2-3-15(16(22)6-14)21(32)29-5-4-23-18(31)11-29/h2-3,6-10H,4-5,11H2,1H3,(H,23,31)(H,25,26)(H,27,28)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354416
PNG
(CHEMBL1836863)
Show SMILES CC1(C)CNCCN1C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)c(F)c1
Show InChI InChI=1S/C25H27FN8O/c1-25(2)14-27-7-8-34(25)24(35)16-5-6-19(18(26)9-16)31-22-23-28-12-21(17-10-29-30-11-17)33(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,27H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50001733
PNG
(CHEMBL3133821)
Show SMILES Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C17H13N3O/c21-12-5-3-4-11(10-12)19-15-8-9-18-17-16(15)13-6-1-2-7-14(13)20-17/h1-10,21H,(H2,18,19,20)
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n/an/a 3.20n/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Brk (unknown origin) using [gamma-33P]-ATP after 60 mins by scintillation counting


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


(Homo sapiens (human))
BDBM50357312
PNG
(IBRUTINIB | US9108973, Ref 1 | US9181263, 1 | US92...)
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 3.30n/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)

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


(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=1S/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 3.30n/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)

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


(Homo sapiens (human))
BDBM50357312
PNG
(IBRUTINIB | US9108973, Ref 1 | US9181263, 1 | US92...)
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 3.30n/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)

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


(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=1S/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 3.30n/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)

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


(Homo sapiens (human))
BDBM50001734
PNG
(CHEMBL3238103)
Show SMILES COc1cc(Nc2ccnc3[nH]c4ccccc4c23)ccc1Br
Show InChI InChI=1S/C18H14BrN3O/c1-23-16-10-11(6-7-13(16)19)21-15-8-9-20-18-17(15)12-4-2-3-5-14(12)22-18/h2-10H,1H3,(H2,20,21,22)
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n/an/a 4.40n/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Brk (unknown origin) using [gamma-33P]-ATP after 60 mins by scintillation counting


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


(Homo sapiens (human))
BDBM50001735
PNG
(CHEMBL3133822)
Show SMILES Clc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C17H12ClN3/c18-11-4-3-5-12(10-11)20-15-8-9-19-17-16(15)13-6-1-2-7-14(13)21-17/h1-10H,(H2,19,20,21)
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n/an/a 4.80n/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Brk (unknown origin) using [gamma-33P]-ATP after 60 mins by scintillation counting


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


(Homo sapiens (human))
BDBM50354414
PNG
(CHEMBL1836842)
Show SMILES CC1(C)CNCCN1C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)cc1Cl
Show InChI InChI=1S/C25H27ClN8O/c1-25(2)14-27-7-8-34(25)24(35)18-6-5-17(9-19(18)26)31-22-23-28-12-21(16-10-29-30-11-16)33(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,27H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs


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


(Homo sapiens (human))
BDBM50354429
PNG
(CHEMBL1836846)
Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1C[C@H]2CC[C@@H]1CN2
Show InChI InChI=1S/C25H25ClN8O/c26-20-7-16(4-6-19(20)25(35)33-12-17-3-5-18(33)10-27-17)31-23-24-28-11-22(15-8-29-30-9-15)34(24)13-21(32-23)14-1-2-14/h4,6-9,11,13-14,17-18,27H,1-3,5,10,12H2,(H,29,30)(H,31,32)/t17-,18-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50001732
PNG
(CHEMBL3238097)
Show SMILES [O-][N+](=O)c1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C17H12N4O2/c22-21(23)12-5-3-4-11(10-12)19-15-8-9-18-17-16(15)13-6-1-2-7-14(13)20-17/h1-10H,(H2,18,19,20)
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n/an/a 5.70n/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Brk (unknown origin) using [gamma-33P]-ATP after 60 mins by scintillation counting


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


(Homo sapiens (human))
BDBM50354455
PNG
(CHEMBL1836865)
Show SMILES CC1(C)CN(CCN1)C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)c(F)c1
Show InChI InChI=1S/C25H27FN8O/c1-25(2)14-33(8-7-28-25)24(35)16-5-6-19(18(26)9-16)31-22-23-27-12-21(17-10-29-30-11-17)34(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,28H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354420
PNG
(CHEMBL1836755)
Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNCC1
Show InChI InChI=1S/C23H23ClN8O/c24-18-9-16(3-4-17(18)23(33)31-7-5-25-6-8-31)29-21-22-26-12-20(15-10-27-28-11-15)32(22)13-19(30-21)14-1-2-14/h3-4,9-14,25H,1-2,5-8H2,(H,27,28)(H,29,30)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354455
PNG
(CHEMBL1836865)
Show SMILES CC1(C)CN(CCN1)C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)c(F)c1
Show InChI InChI=1S/C25H27FN8O/c1-25(2)14-33(8-7-28-25)24(35)16-5-6-19(18(26)9-16)31-22-23-27-12-21(17-10-29-30-11-17)34(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,28H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32)
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n/an/a<7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs


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


(Homo sapiens (human))
BDBM50354415
PNG
(CHEMBL1836854)
Show SMILES Fc1cc(ccc1Nc1nc(cn2c(cnc12)-c1cn[nH]c1)C1CC1)C(=O)N1CCNCC1
Show InChI InChI=1S/C23H23FN8O/c24-17-9-15(23(33)31-7-5-25-6-8-31)3-4-18(17)29-21-22-26-12-20(16-10-27-28-11-16)32(22)13-19(30-21)14-1-2-14/h3-4,9-14,25H,1-2,5-8H2,(H,27,28)(H,29,30)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs


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


(Homo sapiens (human))
BDBM50354408
PNG
(CHEMBL1836867)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C21H21ClN8O/c1-13-12-30-18(14-9-25-26-10-14)11-24-20(30)19(27-13)28-15-2-3-16(17(22)8-15)21(31)29-6-4-23-5-7-29/h2-3,8-12,23H,4-7H2,1H3,(H,25,26)(H,27,28)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354424
PNG
(CHEMBL1836802)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(c2)C(F)(F)F)n1)-c1cn[nH]c1
Show InChI InChI=1S/C22H21F3N8O/c1-13-12-33-18(14-9-28-29-10-14)11-27-20(33)19(30-13)31-15-2-3-16(17(8-15)22(23,24)25)21(34)32-6-4-26-5-7-32/h2-3,8-12,26H,4-7H2,1H3,(H,28,29)(H,30,31)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354431
PNG
(CHEMBL1836840)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3C[C@H]4CC[C@@H]3CN4)c(Cl)c2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C23H23ClN8O/c1-13-11-32-20(14-7-27-28-8-14)10-26-22(32)21(29-13)30-15-3-5-18(19(24)6-15)23(33)31-12-16-2-4-17(31)9-25-16/h3,5-8,10-11,16-17,25H,2,4,9,12H2,1H3,(H,27,28)(H,29,30)/t16-,17-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354416
PNG
(CHEMBL1836863)
Show SMILES CC1(C)CNCCN1C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)c(F)c1
Show InChI InChI=1S/C25H27FN8O/c1-25(2)14-27-7-8-34(25)24(35)16-5-6-19(18(26)9-16)31-22-23-28-12-21(17-10-29-30-11-17)33(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,27H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs


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


(Homo sapiens (human))
BDBM50354445
PNG
(CHEMBL1836810)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C21H20ClN7O2/c1-13-12-29-18(14-9-24-25-10-14)11-23-20(29)19(26-13)27-15-2-3-16(17(22)8-15)21(30)28-4-6-31-7-5-28/h2-3,8-12H,4-7H2,1H3,(H,24,25)(H,26,27)
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354409
PNG
(CHEMBL1836805)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)cc1Cl
Show InChI InChI=1S/C22H23ClN8O/c1-14-13-31-19(15-10-25-26-11-15)12-24-21(31)20(27-14)28-16-3-4-17(18(23)9-16)22(32)30-7-5-29(2)6-8-30/h3-4,9-13H,5-8H2,1-2H3,(H,25,26)(H,27,28)
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354430
PNG
(CHEMBL1836862)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCNCC2(C)C)n1)-c1cn[nH]c1
Show InChI InChI=1S/C23H25FN8O/c1-14-12-31-19(16-9-27-28-10-16)11-26-21(31)20(29-14)30-18-5-4-15(8-17(18)24)22(33)32-7-6-25-13-23(32,2)3/h4-5,8-12,25H,6-7,13H2,1-3H3,(H,27,28)(H,29,30)
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BRK


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



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of BRK (unknown origin)


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


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



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of BRK (unknown origin)


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


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



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of BRK (unknown origin)


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


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



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of BRK (unknown origin)


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


(Homo sapiens (human))
BDBM50354425
PNG
(CHEMBL1836754)
Show SMILES CCc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C22H23ClN8O/c1-2-15-13-31-19(14-10-26-27-11-14)12-25-21(31)20(28-15)29-16-3-4-17(18(23)9-16)22(32)30-7-5-24-6-8-30/h3-4,9-13,24H,2,5-8H2,1H3,(H,26,27)(H,28,29)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354426
PNG
(CHEMBL1836864)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCNC(C)(C)C2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C23H25FN8O/c1-14-12-32-19(16-9-27-28-10-16)11-25-21(32)20(29-14)30-18-5-4-15(8-17(18)24)22(33)31-7-6-26-23(2,3)13-31/h4-5,8-12,26H,6-7,13H2,1-3H3,(H,27,28)(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354458
PNG
(CHEMBL1836799)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(O)CC3)cs2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C20H23N7OS/c1-13-10-27-17(15-7-22-23-8-15)9-21-20(27)19(24-13)25-18-6-14(12-29-18)11-26-4-2-16(28)3-5-26/h6-10,12,16,28H,2-5,11H2,1H3,(H,22,23)(H,24,25)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354422
PNG
(CHEMBL1836815)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3(C)C)c(Cl)c2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C23H25ClN8O/c1-14-12-31-19(15-9-27-28-10-15)11-26-21(31)20(29-14)30-16-4-5-17(18(24)8-16)22(33)32-7-6-25-13-23(32,2)3/h4-5,8-12,25H,6-7,13H2,1-3H3,(H,27,28)(H,29,30)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354417
PNG
(CHEMBL1836843)
Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNCC11CC1
Show InChI InChI=1S/C25H25ClN8O/c26-19-9-17(3-4-18(19)24(35)34-8-7-27-14-25(34)5-6-25)31-22-23-28-12-21(16-10-29-30-11-16)33(23)13-20(32-22)15-1-2-15/h3-4,9-13,15,27H,1-2,5-8,14H2,(H,29,30)(H,31,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354418
PNG
(CHEMBL1836847)
Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1C[C@@H]2CC[C@H](C1)N2
Show InChI InChI=1S/C25H25ClN8O/c26-20-7-16(5-6-19(20)25(35)33-11-17-3-4-18(12-33)30-17)31-23-24-27-10-22(15-8-28-29-9-15)34(24)13-21(32-23)14-1-2-14/h5-10,13-14,17-18,30H,1-4,11-12H2,(H,28,29)(H,31,32)/t17-,18+
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354434
PNG
(CHEMBL1836853)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCNCC2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C21H21FN8O/c1-13-12-30-18(15-9-25-26-10-15)11-24-20(30)19(27-13)28-17-3-2-14(8-16(17)22)21(31)29-6-4-23-5-7-29/h2-3,8-12,23H,4-7H2,1H3,(H,25,26)(H,27,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354456
PNG
(CHEMBL1836760)
Show SMILES CCOc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sc1C(=O)N1CCCC(C)C1
Show InChI InChI=1S/C23H27N7O2S/c1-4-32-18-8-19(33-20(18)23(31)29-7-5-6-14(2)12-29)28-21-22-24-11-17(16-9-25-26-10-16)30(22)13-15(3)27-21/h8-11,13-14H,4-7,12H2,1-3H3,(H,25,26)(H,27,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354457
PNG
(CHEMBL1836841)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)N4)c(Cl)c2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C23H23ClN8O/c1-13-10-32-20(14-7-26-27-8-14)9-25-22(32)21(28-13)30-15-4-5-18(19(24)6-15)23(33)31-11-16-2-3-17(12-31)29-16/h4-10,16-17,29H,2-3,11-12H2,1H3,(H,26,27)(H,28,30)/t16-,17+
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354437
PNG
(CHEMBL1836796)
Show SMILES Cc1cn2c(cnc2c(Nc2ccnc(c2)N2CCNCC2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C19H21N9/c1-13-12-28-16(14-9-23-24-10-14)11-22-19(28)18(25-13)26-15-2-3-21-17(8-15)27-6-4-20-5-7-27/h2-3,8-12,20H,4-7H2,1H3,(H,23,24)(H,21,25,26)
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354459
PNG
(CHEMBL1836761)
Show SMILES CN(C)C(=O)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1
Show InChI InChI=1S/C16H16N8OS/c1-9-8-24-12(10-5-18-19-6-10)7-17-15(24)14(20-9)21-13-4-11(22-26-13)16(25)23(2)3/h4-8H,1-3H3,(H,18,19)(H,20,21)
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354423
PNG
(CHEMBL1836845)
Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNC2(CC2)C1
Show InChI InChI=1S/C25H25ClN8O/c26-19-9-17(3-4-18(19)24(35)33-8-7-28-25(14-33)5-6-25)31-22-23-27-12-21(16-10-29-30-11-16)34(23)13-20(32-22)15-1-2-15/h3-4,9-13,15,28H,1-2,5-8,14H2,(H,29,30)(H,31,32)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50335179
PNG
(6-Methyl-N-[3-(1-piperidinylmethyl)-5-isothiazolyl...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C19H22N8S/c1-13-11-27-16(14-8-21-22-9-14)10-20-19(27)18(23-13)24-17-7-15(25-28-17)12-26-5-3-2-4-6-26/h7-11H,2-6,12H2,1H3,(H,21,22)(H,23,24)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354417
PNG
(CHEMBL1836843)
Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNCC11CC1
Show InChI InChI=1S/C25H25ClN8O/c26-19-9-17(3-4-18(19)24(35)34-8-7-27-14-25(34)5-6-25)31-22-23-28-12-21(16-10-29-30-11-16)33(23)13-20(32-22)15-1-2-15/h3-4,9-13,15,27H,1-2,5-8,14H2,(H,29,30)(H,31,32)
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs


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


(Homo sapiens (human))
BDBM50354443
PNG
(CHEMBL1836800)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(cc2)C(=O)N2CCNCC2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C21H22N8O/c1-14-13-29-18(16-10-24-25-11-16)12-23-20(29)19(26-14)27-17-4-2-15(3-5-17)21(30)28-8-6-22-7-9-28/h2-5,10-13,22H,6-9H2,1H3,(H,24,25)(H,26,27)
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354428
PNG
(CHEMBL1836837)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC33CC3)c(Cl)c2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C23H23ClN8O/c1-14-12-31-19(15-9-27-28-10-15)11-26-21(31)20(29-14)30-16-2-3-17(18(24)8-16)22(33)32-7-6-25-13-23(32)4-5-23/h2-3,8-12,25H,4-7,13H2,1H3,(H,27,28)(H,29,30)
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354413
PNG
(CHEMBL1836807)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)cc1Cl
Show InChI InChI=1S/C23H23ClN8O2/c1-14-13-32-20(16-10-26-27-11-16)12-25-22(32)21(28-14)29-17-3-4-18(19(24)9-17)23(34)31-7-5-30(6-8-31)15(2)33/h3-4,9-13H,5-8H2,1-2H3,(H,26,27)(H,28,29)
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


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


(Homo sapiens (human))
BDBM50354418
PNG
(CHEMBL1836847)
Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1C[C@@H]2CC[C@H](C1)N2
Show InChI InChI=1S/C25H25ClN8O/c26-20-7-16(5-6-19(20)25(35)33-11-17-3-4-18(12-33)30-17)31-23-24-27-10-22(15-8-28-29-9-15)34(24)13-21(32-23)14-1-2-14/h5-10,13-14,17-18,30H,1-4,11-12H2,(H,28,29)(H,31,32)/t17-,18+
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
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