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Compile Data Set for Download or QSAR

Found 358 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BRK'   
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 BRK


(Homo sapiens (human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
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PubMed
n/an/a 130n/an/an/an/a7.522



Plexxikon



Assay Description
Enzyme activity was assayed using Z-LYTE Enzymatic Kinase Assay format (Invitrogen Corp., Carlsbad, CA) according to the manufacturer instructions.


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM24941
PNG
((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...)
Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br
Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)
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n/an/a 2.67E+5n/an/an/an/an/an/a



Paradigm Pharmaceuticals



Assay Description
The specificity of LFM-A13 was further examined against a broad panel of serine-threonine kinases and tyrosine kinases using the KinaseProfiler Assay...


Bioorg Med Chem 15: 800-14 (2007)


Article DOI: 10.1016/j.bmc.2006.10.050
BindingDB Entry DOI: 10.7270/Q2Z60MCR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM24773
PNG
(AMG 706 | AMG-706 | Motesanib | N-(3,3-dimethyl-1,...)
Show SMILES CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
Show InChI InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)
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n/an/an/a 1.00E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WQ026F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM31088
PNG
(1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-y...)
Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
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n/an/an/a 3.60E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WQ026F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM4779
PNG
(CHEMBL31965 | CHEMBL545315 | CI-1033 | N-{4-[(3-ch...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
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n/an/an/a 3.80E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WQ026F
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/an/a 7.80E+3n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WQ026F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM26474
PNG
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
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n/an/an/a 2.30E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WQ026F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/an/a 2.40E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WQ026F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM13531
PNG
(4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/an/a 6.80E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WQ026F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/an/a 3.90E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WQ026F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM31096
PNG
(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1
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n/an/an/a 2.30E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WQ026F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/an/a 1.60E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WQ026F
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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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)


BindingDB Entry DOI: 10.7270/Q2765D5Z
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)


BindingDB Entry DOI: 10.7270/Q2765D5Z
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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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)


BindingDB Entry DOI: 10.7270/Q20C4TMX
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)


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


(Homo sapiens (human))
BDBM50379214
PNG
(CHEMBL2011291 | US9416123, 6)
Show SMILES Nc1c(c(nn1-c1c(Cl)cc(Cl)cc1Cl)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H12Cl3FN4/c21-13-9-15(22)19(16(23)10-13)28-20(25)17(11-1-3-14(24)4-2-11)18(27-28)12-5-7-26-8-6-12/h1-10H,25H2
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n/an/a 61n/an/an/an/an/an/a



Synovo GmbH

US Patent


Assay Description
FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...


US Patent US9416123 (2016)


BindingDB Entry DOI: 10.7270/Q2V123PP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 980n/an/an/an/an/an/a



Synovo GmbH

US Patent


Assay Description
FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...


US Patent US9416123 (2016)


BindingDB Entry DOI: 10.7270/Q2V123PP
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


Bioorg Med Chem Lett 24: 1948-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.002
BindingDB Entry DOI: 10.7270/Q2TM7CN0
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


Bioorg Med Chem Lett 24: 1948-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.002
BindingDB Entry DOI: 10.7270/Q2TM7CN0
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


Bioorg Med Chem Lett 24: 1948-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.002
BindingDB Entry DOI: 10.7270/Q2TM7CN0
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


Bioorg Med Chem Lett 24: 1948-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.002
BindingDB Entry DOI: 10.7270/Q2TM7CN0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50001736
PNG
(CHEMBL3238096)
Show SMILES C(Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1)c1ccccc1
Show InChI InChI=1S/C24H19N3O/c1-2-7-17(8-3-1)16-28-19-10-6-9-18(15-19)26-22-13-14-25-24-23(22)20-11-4-5-12-21(20)27-24/h1-15H,16H2,(H2,25,26,27)
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n/an/a 41n/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


Bioorg Med Chem Lett 24: 1948-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.002
BindingDB Entry DOI: 10.7270/Q2TM7CN0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50001737
PNG
(CHEMBL3238091)
Show SMILES C1C=CCc2cc(Nc3ccnc4[nH]c5ccccc5c34)ccc12
Show InChI InChI=1S/C21H17N3/c1-2-6-15-13-16(10-9-14(15)5-1)23-19-11-12-22-21-20(19)17-7-3-4-8-18(17)24-21/h1-4,7-13H,5-6H2,(H2,22,23,24)
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n/an/a 44n/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


Bioorg Med Chem Lett 24: 1948-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.002
BindingDB Entry DOI: 10.7270/Q2TM7CN0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50001738
PNG
(CHEMBL3238102)
Show SMILES Clc1cc(Cl)cc(Nc2ccnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C17H11Cl2N3/c18-10-7-11(19)9-12(8-10)21-15-5-6-20-17-16(15)13-3-1-2-4-14(13)22-17/h1-9H,(H2,20,21,22)
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n/an/a 53n/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


Bioorg Med Chem Lett 24: 1948-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.002
BindingDB Entry DOI: 10.7270/Q2TM7CN0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50001739
PNG
(CHEMBL3238092)
Show SMILES FC(F)(F)c1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C18H12F3N3/c19-18(20,21)11-4-3-5-12(10-11)23-15-8-9-22-17-16(15)13-6-1-2-7-14(13)24-17/h1-10H,(H2,22,23,24)
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n/an/a 59n/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


Bioorg Med Chem Lett 24: 1948-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.002
BindingDB Entry DOI: 10.7270/Q2TM7CN0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50001740
PNG
(CHEMBL3238101)
Show SMILES Clc1cc(Nc2ccnc3[nH]c4ccccc4c23)ccc1OCc1ccccc1
Show InChI InChI=1S/C24H18ClN3O/c25-19-14-17(10-11-22(19)29-15-16-6-2-1-3-7-16)27-21-12-13-26-24-23(21)18-8-4-5-9-20(18)28-24/h1-14H,15H2,(H2,26,27,28)
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n/an/a 65n/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


Bioorg Med Chem Lett 24: 1948-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.002
BindingDB Entry DOI: 10.7270/Q2TM7CN0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50001741
PNG
(CHEMBL3238100)
Show SMILES Fc1ccc(Nc2ccnc3[nH]c4ccccc4c23)cc1Cl
Show InChI InChI=1S/C17H11ClFN3/c18-12-9-10(5-6-13(12)19)21-15-7-8-20-17-16(15)11-3-1-2-4-14(11)22-17/h1-9H,(H2,20,21,22)
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n/an/a 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


Bioorg Med Chem Lett 24: 1948-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.002
BindingDB Entry DOI: 10.7270/Q2TM7CN0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50001742
PNG
(CHEMBL3238099)
Show SMILES Cc1ccc(Nc2ccnc3[nH]c4ccccc4c23)cc1Cl
Show InChI InChI=1S/C18H14ClN3/c1-11-6-7-12(10-14(11)19)21-16-8-9-20-18-17(16)13-4-2-3-5-15(13)22-18/h2-10H,1H3,(H2,20,21,22)
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n/an/a 76n/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


Bioorg Med Chem Lett 24: 1948-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.002
BindingDB Entry DOI: 10.7270/Q2TM7CN0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50001743
PNG
(CHEMBL3238104)
Show SMILES CCOc1cc(Nc2ccnc3[nH]c4ccccc4c23)ccc1Br
Show InChI InChI=1S/C19H16BrN3O/c1-2-24-17-11-12(7-8-14(17)20)22-16-9-10-21-19-18(16)13-5-3-4-6-15(13)23-19/h3-11H,2H2,1H3,(H2,21,22,23)
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n/an/a 154n/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


Bioorg Med Chem Lett 24: 1948-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.002
BindingDB Entry DOI: 10.7270/Q2TM7CN0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50001744
PNG
(CHEMBL3238095)
Show SMILES CCOc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C19H17N3O/c1-2-23-14-7-5-6-13(12-14)21-17-10-11-20-19-18(17)15-8-3-4-9-16(15)22-19/h3-12H,2H2,1H3,(H2,20,21,22)
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n/an/a 155n/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


Bioorg Med Chem Lett 24: 1948-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.002
BindingDB Entry DOI: 10.7270/Q2TM7CN0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50001745
PNG
(CHEMBL3238098)
Show SMILES COc1ccc(Nc2ccnc3[nH]c4ccccc4c23)cc1
Show InChI InChI=1S/C18H15N3O/c1-22-13-8-6-12(7-9-13)20-16-10-11-19-18-17(16)14-4-2-3-5-15(14)21-18/h2-11H,1H3,(H2,19,20,21)
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n/an/a 190n/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


Bioorg Med Chem Lett 24: 1948-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.002
BindingDB Entry DOI: 10.7270/Q2TM7CN0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50021626
PNG
(CHEMBL3298400)
Show SMILES CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
Show InChI InChI=1S/C18H23N3O2S/c1-18(2,3)11-20-16(22)7-14-8-19-17(23)15-6-13(9-21(14)15)12-4-5-24-10-12/h4-6,9-10,14H,7-8,11H2,1-3H3,(H,19,23)(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BRK (unknown origin)


Bioorg Med Chem 21: 7364-80 (2013)


Article DOI: 10.1016/j.bmc.2013.09.054
BindingDB Entry DOI: 10.7270/Q23F4R7S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50021618
PNG
(CHEMBL3297762 | US9145418, 2)
Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1
Show InChI InChI=1S/C28H38ClN5O2/c1-32-10-12-33(13-11-32)19-25(20-6-3-2-4-7-20)31-27(35)16-24-17-30-28(36)26-15-22(18-34(24)26)21-8-5-9-23(29)14-21/h5,8-9,14-15,18,20,24-25H,2-4,6-7,10-13,16-17,19H2,1H3,(H,30,36)(H,31,35)/t24-,25+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BRK (unknown origin)


Bioorg Med Chem 21: 7364-80 (2013)


Article DOI: 10.1016/j.bmc.2013.09.054
BindingDB Entry DOI: 10.7270/Q23F4R7S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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n/an/an/a 1.70E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to BRK


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to BRK


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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n/an/an/a 1.70E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for BRK kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
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


Bioorg Med Chem Lett 21: 5870-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/an/a 2.30E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for BRK kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for BRK kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50026612
PNG
(BIBF-1120 | NINTEDANIB | Nintedanib | Vargatef)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for BRK kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50025873
PNG
(CHEMBL3335234)
Show SMILES COc1cc(I)cc(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
Show InChI InChI=1S/C15H12IN3O3/c1-22-13-5-9(16)4-8(14(13)20)7-17-10-2-3-11-12(6-10)19-15(21)18-11/h2-7,20H,1H3,(H2,18,19,21)/b17-7+
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n/an/a 5.81E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of PTK6 (unknown origin) expressed in HEK293 cells assessed as decrease in tyrosine phosphorylation by chemiluminescence assay


Bioorg Med Chem Lett 24: 4659-63 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.036
BindingDB Entry DOI: 10.7270/Q2TH8P84
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50025876
PNG
(CHEMBL3335233)
Show SMILES COc1cc(Cl)cc(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
Show InChI InChI=1S/C15H12ClN3O3/c1-22-13-5-9(16)4-8(14(13)20)7-17-10-2-3-11-12(6-10)19-15(21)18-11/h2-7,20H,1H3,(H2,18,19,21)/b17-7+
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n/an/a 7.40E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of PTK6 (unknown origin) expressed in HEK293 cells assessed as decrease in tyrosine phosphorylation by chemiluminescence assay


Bioorg Med Chem Lett 24: 4659-63 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.036
BindingDB Entry DOI: 10.7270/Q2TH8P84
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50025882
PNG
(CHEMBL3335231)
Show SMILES Oc1ccc(Cl)cc1\C=N\c1ccc2[nH]c(=O)[nH]c2c1
Show InChI InChI=1S/C14H10ClN3O2/c15-9-1-4-13(19)8(5-9)7-16-10-2-3-11-12(6-10)18-14(20)17-11/h1-7,19H,(H2,17,18,20)/b16-7+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of PTK6 (unknown origin) expressed in HEK293 cells assessed as decrease in tyrosine phosphorylation by chemiluminescence assay


Bioorg Med Chem Lett 24: 4659-63 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.036
BindingDB Entry DOI: 10.7270/Q2TH8P84
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50025884
PNG
(CHEMBL3335229)
Show SMILES COc1cc(Br)cc(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
Show InChI InChI=1S/C15H12BrN3O3/c1-22-13-5-9(16)4-8(14(13)20)7-17-10-2-3-11-12(6-10)19-15(21)18-11/h2-7,20H,1H3,(H2,18,19,21)/b17-7+
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n/an/a 5.24E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of PTK6 (unknown origin) expressed in HEK293 cells assessed as decrease in tyrosine phosphorylation by chemiluminescence assay


Bioorg Med Chem Lett 24: 4659-63 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.036
BindingDB Entry DOI: 10.7270/Q2TH8P84
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50025885
PNG
(CHEMBL3335228)
Show SMILES COc1ccc(Br)cc1\C=N\c1ccc2[nH]c(=O)[nH]c2c1
Show InChI InChI=1S/C15H12BrN3O2/c1-21-14-5-2-10(16)6-9(14)8-17-11-3-4-12-13(7-11)19-15(20)18-12/h2-8H,1H3,(H2,18,19,20)/b17-8+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of PTK6 (unknown origin) expressed in HEK293 cells assessed as decrease in tyrosine phosphorylation by chemiluminescence assay


Bioorg Med Chem Lett 24: 4659-63 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.036
BindingDB Entry DOI: 10.7270/Q2TH8P84
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50025909
PNG
(CHEMBL3335227)
Show SMILES Oc1ccccc1\C=N\c1ccc2[nH]c(=O)[nH]c2c1
Show InChI InChI=1S/C14H11N3O2/c18-13-4-2-1-3-9(13)8-15-10-5-6-11-12(7-10)17-14(19)16-11/h1-8,18H,(H2,16,17,19)/b15-8+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of PTK6 (unknown origin) expressed in HEK293 cells assessed as decrease in tyrosine phosphorylation by chemiluminescence assay


Bioorg Med Chem Lett 24: 4659-63 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.036
BindingDB Entry DOI: 10.7270/Q2TH8P84
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50025916
PNG
(CHEMBL3335225)
Show SMILES Oc1ccc(Br)cc1\C=N\c1ccc2[nH]c(=O)[nH]c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-9-1-4-13(19)8(5-9)7-16-10-2-3-11-12(6-10)18-14(20)17-11/h1-7,19H,(H2,17,18,20)/b16-7+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of PTK6 (unknown origin) expressed in HEK293 cells assessed as decrease in tyrosine phosphorylation by chemiluminescence assay


Bioorg Med Chem Lett 24: 4659-63 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.036
BindingDB Entry DOI: 10.7270/Q2TH8P84
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50025925
PNG
(CHEMBL3335254)
Show SMILES CCOc1cc(Br)c(Br)c(\C=N\c2ccc3scnc3c2)c1O
Show InChI InChI=1S/C16H12Br2N2O2S/c1-2-22-13-6-11(17)15(18)10(16(13)21)7-19-9-3-4-14-12(5-9)20-8-23-14/h3-8,21H,2H2,1H3/b19-7+
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n/an/a 1.17E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTK6 (unknown origin) assessed as phosphorylated tyrosines after 20 mins by ELISA


Bioorg Med Chem Lett 24: 4659-63 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.036
BindingDB Entry DOI: 10.7270/Q2TH8P84
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50025936
PNG
(CHEMBL3335253)
Show SMILES CCOc1cc(Br)c(Br)c(\C=N\c2ccc3[nH]cnc3c2)c1O
Show InChI InChI=1S/C16H13Br2N3O2/c1-2-23-14-6-11(17)15(18)10(16(14)22)7-19-9-3-4-12-13(5-9)21-8-20-12/h3-8,22H,2H2,1H3,(H,20,21)/b19-7+
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n/an/a 130n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTK6 (unknown origin) assessed as phosphorylated tyrosines after 20 mins by ELISA


Bioorg Med Chem Lett 24: 4659-63 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.036
BindingDB Entry DOI: 10.7270/Q2TH8P84
More data for this
Ligand-Target Pair
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