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Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'groendyke' and Initial = 'bj'   
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
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM418817
PNG
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Focal adhesion kinase

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM418817
PNG
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-FAK catalytic domain region (411-686) (unknown origin) expressed in baculovirus infected Sf9 cells by spectrophotometry

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50440659
PNG
(CHEMBL2430358)
Show SMILES CNC(=O)c1ccccc1Nc1cc(Nc2ccc(cc2OC)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C25H26F3N5O3/c1-29-24(34)17-5-3-4-6-19(17)31-21-14-23(30-15-18(21)25(26,27)28)32-20-8-7-16(13-22(20)35-2)33-9-11-36-12-10-33/h3-8,13-15H,9-12H2,1-2H3,(H,29,34)(H2,30,31,32)
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-FAK catalytic domain region (411-686) (unknown origin) expressed in baculovirus infected Sf9 cells by spectrophotometry

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539636
PNG
(CHEMBL4641234)
Show SMILES COc1cc(Nc2ncc3NC(=O)c4ccccc4N(C)c3n2)ccc1N1C[C@H](C)N[C@H](C)C1 |r|
Show InChI InChI=1S/C25H29N7O2/c1-15-13-32(14-16(2)27-15)21-10-9-17(11-22(21)34-4)28-25-26-12-19-23(30-25)31(3)20-8-6-5-7-18(20)24(33)29-19/h5-12,15-16,27H,13-14H2,1-4H3,(H,29,33)(H,26,28,30)/t15-,16+
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539625
PNG
(CHEMBL4640664)
Show SMILES COc1cc(Nc2ncc3NC(=O)c4ccccc4N(C)c3n2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H27N7O2/c1-29-10-12-31(13-11-29)20-9-8-16(14-21(20)33-3)26-24-25-15-18-22(28-24)30(2)19-7-5-4-6-17(19)23(32)27-18/h4-9,14-15H,10-13H2,1-3H3,(H,27,32)(H,25,26,28)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539626
PNG
(CHEMBL4642708)
Show SMILES CCOc1cc(Nc2ncc3NC(=O)c4ccccc4N(C)c3n2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C25H29N7O2/c1-4-34-22-15-17(9-10-21(22)32-13-11-30(2)12-14-32)27-25-26-16-19-23(29-25)31(3)20-8-6-5-7-18(20)24(33)28-19/h5-10,15-16H,4,11-14H2,1-3H3,(H,28,33)(H,26,27,29)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50184049
PNG
(3-(6-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCC(O)=O)n4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C23H23N5O5/c1-31-17-11-16(12-18(32-2)21(17)33-3)26-23-24-13-14-9-10-28(22(14)27-23)19-6-4-5-15(25-19)7-8-20(29)30/h4-6,9-13H,7-8H2,1-3H3,(H,29,30)(H,24,26,27)
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TBA

Assay Description
Inhibition of FAK (31-686) (unknown origin) using 32P-ATP after 2 hrs incubation measured by scintillation counting

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-FAK domain (410-689) (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50334594
PNG
(2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)
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n/an/a 5.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539627
PNG
(CHEMBL4646285)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3NC(=O)c4ccccc4N(C)c3n2)cc1C
Show InChI InChI=1S/C24H27N7O/c1-16-14-17(8-9-20(16)31-12-10-29(2)11-13-31)26-24-25-15-19-22(28-24)30(3)21-7-5-4-6-18(21)23(32)27-19/h4-9,14-15H,10-13H2,1-3H3,(H,27,32)(H,25,26,28)
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n/an/a 6n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539635
PNG
(CHEMBL4645836)
Show SMILES COc1cc(Nc2ncc3NC(=O)c4ccccc4N(C)c3n2)ccc1N1CCN(CCO)CC1
Show InChI InChI=1S/C25H29N7O3/c1-30-20-6-4-3-5-18(20)24(34)28-19-16-26-25(29-23(19)30)27-17-7-8-21(22(15-17)35-2)32-11-9-31(10-12-32)13-14-33/h3-8,15-16,33H,9-14H2,1-2H3,(H,28,34)(H,26,27,29)
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n/an/a 7n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM86612
PNG
(Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...)
Show SMILES CN1c2ccccc2C(=O)Nc2cnc(Nc3ccc(cc3)N3CCC(O)CC3)nc12
Show InChI InChI=1S/C23H24N6O2/c1-28-20-5-3-2-4-18(20)22(31)26-19-14-24-23(27-21(19)28)25-15-6-8-16(9-7-15)29-12-10-17(30)11-13-29/h2-9,14,17,30H,10-13H2,1H3,(H,26,31)(H,24,25,27)
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n/an/a 7n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539628
PNG
(CHEMBL4648763)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3NC(=O)c4ccccc4N(C)c3n2)cc1Cl
Show InChI InChI=1S/C23H24ClN7O/c1-29-9-11-31(12-10-29)20-8-7-15(13-17(20)24)26-23-25-14-18-21(28-23)30(2)19-6-4-3-5-16(19)22(32)27-18/h3-8,13-14H,9-12H2,1-2H3,(H,27,32)(H,25,26,28)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539637
PNG
(CHEMBL4640785)
Show SMILES COc1cc(Nc2ncc3NC(=O)c4ccccc4N(C)c3n2)ccc1C1CCN(C)CC1
Show InChI InChI=1S/C25H28N6O2/c1-30-12-10-16(11-13-30)18-9-8-17(14-22(18)33-3)27-25-26-15-20-23(29-25)31(2)21-7-5-4-6-19(21)24(32)28-20/h4-9,14-16H,10-13H2,1-3H3,(H,28,32)(H,26,27,29)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50553453
PNG
(CHEMBL4788961)
Show SMILES COc1cc(Nc2ncc3NC(=O)Nc4cc(C)ccc4-c3n2)ccc1N1CCN(C)CC1
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TBA

Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 (110 to 476 residues) expressed in baculovirus expression system incubated for ...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127456
BindingDB Entry DOI: 10.7270/Q23200JD
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539621
PNG
(CHEMBL4640316)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3NC(=O)c4ccccc4N(C)c3n2)cc1
Show InChI InChI=1S/C23H25N7O/c1-28-11-13-30(14-12-28)17-9-7-16(8-10-17)25-23-24-15-19-21(27-23)29(2)20-6-4-3-5-18(20)22(31)26-19/h3-10,15H,11-14H2,1-2H3,(H,26,31)(H,24,25,27)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539641
PNG
(CHEMBL4635845)
Show SMILES CN1CCc2cc(Nc3ccc(Nc4ncc5NC(=O)c6ccccc6N(C)c5n4)cc3)ccc2C1
Show InChI InChI=1S/C28H27N7O/c1-34-14-13-18-15-22(8-7-19(18)17-34)30-20-9-11-21(12-10-20)31-28-29-16-24-26(33-28)35(2)25-6-4-3-5-23(25)27(36)32-24/h3-12,15-16,30H,13-14,17H2,1-2H3,(H,32,36)(H,29,31,33)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549748
PNG
(CHEMBL4777901)
Show SMILES CCN1c2cnc(Nc3ccc(cc3OC)N3CCC(CC3)N3CCN(C)CC3)nc2N(C)c2sc(C)nc2C1=O
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549740
PNG
(CHEMBL4752723)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3nc(C)sc3N(C)c2n1)N1CCC(CC1)N1CCN(C)CC1
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549747
PNG
(CHEMBL4749193)
Show SMILES CCN1c2sc(C)nc2C(=O)N(C)c2cnc(Nc3ccc(cc3OC)N3CCC(CC3)N3CCN(C)CC3)nc12
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TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539616
PNG
(CHEMBL4640243)
Show SMILES COc1cc(ccc1Nc1ncc2NC(=O)c3cc(F)ccc3N(C)c2n1)N1CCN(C)CC1
Show InChI InChI=1S/C24H26FN7O2/c1-30-8-10-32(11-9-30)16-5-6-18(21(13-16)34-3)28-24-26-14-19-22(29-24)31(2)20-7-4-15(25)12-17(20)23(33)27-19/h4-7,12-14H,8-11H2,1-3H3,(H,27,33)(H,26,28,29)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539639
PNG
(CHEMBL4644425)
Show SMILES CN1Cc2ccc(Nc3ccc(Nc4ncc5NC(=O)c6ccccc6N(C)c5n4)cc3)cc2C1
Show InChI InChI=1S/C27H25N7O/c1-33-15-17-7-8-21(13-18(17)16-33)29-19-9-11-20(12-10-19)30-27-28-14-23-25(32-27)34(2)24-6-4-3-5-22(24)26(35)31-23/h3-14,29H,15-16H2,1-2H3,(H,31,35)(H,28,30,32)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539643
PNG
(CHEMBL4647099)
Show SMILES CN1CCc2ccc(Nc3ccc(Nc4ncc5NC(=O)c6ccccc6N(C)c5n4)cc3)cc2C1
Show InChI InChI=1S/C28H27N7O/c1-34-14-13-18-7-8-22(15-19(18)17-34)30-20-9-11-21(12-10-20)31-28-29-16-24-26(33-28)35(2)25-6-4-3-5-23(25)27(36)32-24/h3-12,15-16,30H,13-14,17H2,1-2H3,(H,32,36)(H,29,31,33)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539632
PNG
(CHEMBL4639490)
Show SMILES COc1cc(ccc1Nc1ncc2NC(=O)c3ccccc3N(C)c2n1)N1C[C@H](C)N[C@H](C)C1 |r|
Show InChI InChI=1S/C25H29N7O2/c1-15-13-32(14-16(2)27-15)17-9-10-19(22(11-17)34-4)29-25-26-12-20-23(30-25)31(3)21-8-6-5-7-18(21)24(33)28-20/h5-12,15-16,27H,13-14H2,1-4H3,(H,28,33)(H,26,29,30)/t15-,16+
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549771
PNG
(CHEMBL4793090)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3nc(C)sc3N(C)c2n1)N1CCN(C)CC1
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TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50609598
PNG
(CHEMBL5274607)
Show SMILES CC(C)NC(=O)N1CC[C@H](C1)NC1=Nc2cc(F)ccc2N(CC(F)F)c2ccc(Cl)cc12 |r,t:13|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549766
PNG
(CHEMBL4784924)
Show SMILES COc1cc(N2CCN(C)CC2)c(C)cc1Nc1ncc2N(C)C(=O)c3nc(C)sc3N(C)c2n1
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TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549752
PNG
(CHEMBL4750613)
Show SMILES CCc1nc2c(s1)N(C)c1nc(Nc3ccc(cc3OC)N3CCC(CC3)N3CCN(C)CC3)ncc1N(C)C2=O
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TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539629
PNG
(CHEMBL4647423)
Show SMILES COc1cc(ccc1Nc1ncc2NC(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C24H26N6O3/c1-29-20-6-4-3-5-17(20)23(32)26-19-14-25-24(28-22(19)29)27-18-8-7-15(13-21(18)33-2)30-11-9-16(31)10-12-30/h3-8,13-14,16,31H,9-12H2,1-2H3,(H,26,32)(H,25,27,28)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539631
PNG
(CHEMBL4639091)
Show SMILES COc1cc(ccc1Nc1ncc2NC(=O)c3ccccc3N(C)c2n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C25H29N7O3/c1-30-21-6-4-3-5-18(21)24(34)27-20-16-26-25(29-23(20)30)28-19-8-7-17(15-22(19)35-2)32-11-9-31(10-12-32)13-14-33/h3-8,15-16,33H,9-14H2,1-2H3,(H,27,34)(H,26,28,29)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549759
PNG
(CHEMBL4763555)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc2N(C)C(=O)c3nc(C)sc3N(C)c2n1
PDB
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n/an/a 38n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539630
PNG
(CHEMBL4637921)
Show SMILES COc1cc(ccc1Nc1ncc2NC(=O)c3ccccc3N(C)c2n1)N1CCOCC1
Show InChI InChI=1S/C23H24N6O3/c1-28-19-6-4-3-5-16(19)22(30)25-18-14-24-23(27-21(18)28)26-17-8-7-15(13-20(17)31-2)29-9-11-32-12-10-29/h3-8,13-14H,9-12H2,1-2H3,(H,25,30)(H,24,26,27)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50337126
PNG
(2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...)
Show SMILES COc1cc(ccc1Nc1ncc2NC(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N7O2/c1-29-10-12-31(13-11-29)16-8-9-18(21(14-16)33-3)27-24-25-15-19-22(28-24)30(2)20-7-5-4-6-17(20)23(32)26-19/h4-9,14-15H,10-13H2,1-3H3,(H,26,32)(H,25,27,28)
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n/an/a 44n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549770
PNG
(CHEMBL4791659)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3nc(C)sc3N(C)c2n1)N1CCNCC1
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TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549761
PNG
(CHEMBL4762549)
Show SMILES CNC(=O)c1ccc(Nc2ncc3N(C)C(=O)c4nc(C)sc4N(C)c3n2)c(OC)c1
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TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549767
PNG
(CHEMBL4747113)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3nc(C)sc3N(C)c2n1)N1CCN(CC1)C(C)=O
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TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549745
PNG
(CHEMBL4748282)
Show SMILES CCCN1c2sc(C)nc2C(=O)N(C)c2cnc(Nc3ccc(cc3OC)N3CCC(CC3)N3CCN(C)CC3)nc12
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TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549768
PNG
(CHEMBL4756535)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3nc(C)sc3N(C)c2n1)N1CCN(CC1)S(C)(=O)=O
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TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549763
PNG
(CHEMBL4760231)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3N(C)C(=O)c4nc(C)sc4N(C)c3n2)c(OCCO)c1
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TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539642
PNG
(CHEMBL4645704)
Show SMILES COc1cc2CN(C)CCc2cc1Nc1ccc(Nc2ncc3NC(=O)c4ccccc4N(C)c3n2)cc1
Show InChI InChI=1S/C29H29N7O2/c1-35-13-12-18-14-23(26(38-3)15-19(18)17-35)31-20-8-10-21(11-9-20)32-29-30-16-24-27(34-29)36(2)25-7-5-4-6-22(25)28(37)33-24/h4-11,14-16,31H,12-13,17H2,1-3H3,(H,33,37)(H,30,32,34)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549765
PNG
(CHEMBL4763952)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3nc(C)sc3N(C)c2n1)C1CCN(C)CC1
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TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549764
PNG
(CHEMBL4741192)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3nc(C)sc3N(C)c2n1)N1CCN(C)CC1
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TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549751
PNG
(CHEMBL4759782)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3nc(sc3N(C)c2n1)C(C)C)N1CCC(CC1)N1CCN(C)CC1
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n/an/a 59n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549743
PNG
(CHEMBL4749164)
Show SMILES COc1cc(ccc1Nc1ncc2NC(=O)c3nc(C)sc3N(C)c2n1)N1CCC(CC1)N1CCN(C)CC1
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n/an/a 62n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539633
PNG
(CHEMBL4646592)
Show SMILES COc1cc(ccc1Nc1ncc2NC(=O)c3ccccc3N(C)c2n1)C1CCN(C)CC1
Show InChI InChI=1S/C25H28N6O2/c1-30-12-10-16(11-13-30)17-8-9-19(22(14-17)33-3)28-25-26-15-20-23(29-25)31(2)21-7-5-4-6-18(21)24(32)27-20/h4-9,14-16H,10-13H2,1-3H3,(H,27,32)(H,26,28,29)
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n/an/a 62n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539624
PNG
(CHEMBL4648368)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3NC(=O)c4ccccc4N(C)c3n2)c(Cl)c1
Show InChI InChI=1S/C23H24ClN7O/c1-29-9-11-31(12-10-29)15-7-8-18(17(24)13-15)27-23-25-14-19-21(28-23)30(2)20-6-4-3-5-16(20)22(32)26-19/h3-8,13-14H,9-12H2,1-2H3,(H,26,32)(H,25,27,28)
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n/an/a 63n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539634
PNG
(CHEMBL4644218)
Show SMILES COc1cc(ccc1Nc1ncc2NC(=O)c3ccccc3N(C)c2n1)C1CCN(CCO)CC1
Show InChI InChI=1S/C26H30N6O3/c1-31-22-6-4-3-5-19(22)25(34)28-21-16-27-26(30-24(21)31)29-20-8-7-18(15-23(20)35-2)17-9-11-32(12-10-17)13-14-33/h3-8,15-17,33H,9-14H2,1-2H3,(H,28,34)(H,27,29,30)
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n/an/a 66n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549757
PNG
(CHEMBL4799569)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3nc(C)sc3N(C)c2n1)N1CCN(CCN(C)C)CC1
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n/an/a 67n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50549746
PNG
(CHEMBL4796049)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3nc(C)sc3N(CC(F)(F)F)c2n1)N1CCC(CC1)N1CCN(C)CC1
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n/an/a 68n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00338
BindingDB Entry DOI: 10.7270/Q2DJ5K8C
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50539614
PNG
(CHEMBL4649556)
Show SMILES COc1cc(ccc1Nc1ncc2NC(=O)c3cccc(C)c3N(C)c2n1)N1CCN(C)CC1
Show InChI InChI=1S/C25H29N7O2/c1-16-6-5-7-18-22(16)31(3)23-20(27-24(18)33)15-26-25(29-23)28-19-9-8-17(14-21(19)34-4)32-12-10-30(2)11-13-32/h5-9,14-15H,10-13H2,1-4H3,(H,27,33)(H,26,28,29)
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n/an/a 73n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126948
BindingDB Entry DOI: 10.7270/Q28G8Q7S
More data for this
Ligand-Target Pair
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