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Compile Data Set for Download or QSAR

Found 526 hits of ic50 for UniProtKB: Q14289   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM418609
PNG
(N-methyl-4-({4-[({2- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3cccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H22F3N7O3S/c1-25-19(32)13-6-8-15(9-7-13)29-20-28-12-16(21(22,23)24)17(30-20)27-11-14-5-4-10-26-18(14)31(2)35(3,33)34/h4-10,12H,11H2,1-3H3,(H,25,32)(H2,27,28,29,30)
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human pyk2

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01248
BindingDB Entry DOI: 10.7270/Q24T6P31
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50207353
PNG
(CHEMBL3949755)
Show SMILES CS(=O)(=O)N1CCCc2cccc(Nc3ncc(c(NCc4cccnc14)n3)C(F)(F)F)c2
Show InChI InChI=1S/C21H21F3N6O2S/c1-33(31,32)30-10-4-6-14-5-2-8-16(11-14)28-20-27-13-17(21(22,23)24)18(29-20)26-12-15-7-3-9-25-19(15)30/h2-3,5,7-9,11,13H,4,6,10,12H2,1H3,(H2,26,27,28,29)
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n/an/a 0.670n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells

Bioorg Med Chem Lett 26: 5926-5930 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.092
BindingDB Entry DOI: 10.7270/Q2ST7RTJ
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50207349
PNG
(CHEMBL3958414)
Show SMILES CS(=O)(=O)N1C\C=C\c2cc(Nc3ncc(c(NCc4cccnc14)n3)C(F)(F)F)ccc2N1CCOCC1 |t:6|
Show InChI InChI=1S/C25H26F3N7O3S/c1-39(36,37)35-9-3-5-17-14-19(6-7-21(17)34-10-12-38-13-11-34)32-24-31-16-20(25(26,27)28)22(33-24)30-15-18-4-2-8-29-23(18)35/h2-8,14,16H,9-13,15H2,1H3,(H2,30,31,32,33)/b5-3+
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n/an/a 0.840n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells

Bioorg Med Chem Lett 26: 5926-5930 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.092
BindingDB Entry DOI: 10.7270/Q2ST7RTJ
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50207350
PNG
(CHEMBL3956954)
Show SMILES CS(=O)(=O)N1CCCCC(=O)N2CCc3cc(Nc4ncc(c(NCc5ccccc15)n4)C(F)(F)F)ccc23
Show InChI InChI=1S/C26H27F3N6O3S/c1-39(37,38)35-12-5-4-8-23(36)34-13-11-17-14-19(9-10-21(17)34)32-25-31-16-20(26(27,28)29)24(33-25)30-15-18-6-2-3-7-22(18)35/h2-3,6-7,9-10,14,16H,4-5,8,11-13,15H2,1H3,(H2,30,31,32,33)
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n/an/a 0.900n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells

Bioorg Med Chem Lett 26: 5926-5930 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.092
BindingDB Entry DOI: 10.7270/Q2ST7RTJ
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50207355
PNG
(CHEMBL3987106)
Show SMILES CS(=O)(=O)N1CCCc2cc(Nc3ncc(c(NCc4cccnc14)n3)C(F)(F)F)ccc2N1CCOCC1
Show InChI InChI=1S/C25H28F3N7O3S/c1-39(36,37)35-9-3-5-17-14-19(6-7-21(17)34-10-12-38-13-11-34)32-24-31-16-20(25(26,27)28)22(33-24)30-15-18-4-2-8-29-23(18)35/h2,4,6-8,14,16H,3,5,9-13,15H2,1H3,(H2,30,31,32,33)
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n/an/a 1.30n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells

Bioorg Med Chem Lett 26: 5926-5930 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.092
BindingDB Entry DOI: 10.7270/Q2ST7RTJ
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50318884
PNG
(CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...)
Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of pyk2 (unknown origin)

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01248
BindingDB Entry DOI: 10.7270/Q24T6P31
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50207365
PNG
(CHEMBL3899046)
Show SMILES CN1Cc2ccccc2N(CCCCC(=O)N2CCc3cc(Nc4ncc(c1n4)C(F)(F)F)ccc23)S(C)(=O)=O
Show InChI InChI=1S/C27H29F3N6O3S/c1-34-17-19-7-3-4-8-23(19)36(40(2,38)39)13-6-5-9-24(37)35-14-12-18-15-20(10-11-22(18)35)32-26-31-16-21(25(34)33-26)27(28,29)30/h3-4,7-8,10-11,15-16H,5-6,9,12-14,17H2,1-2H3,(H,31,32,33)
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n/an/a 1.5n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells

Bioorg Med Chem Lett 26: 5926-5930 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.092
BindingDB Entry DOI: 10.7270/Q2ST7RTJ
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50207356
PNG
(CHEMBL3969464)
Show SMILES CN1Cc2cccnc2N(C\C=C\c2cc(Nc3ncc(c1n3)C(F)(F)F)ccc2N1CCOCC1)S(C)(=O)=O |t:12|
Show InChI InChI=1S/C26H28F3N7O3S/c1-34-17-19-5-3-9-30-23(19)36(40(2,37)38)10-4-6-18-15-20(7-8-22(18)35-11-13-39-14-12-35)32-25-31-16-21(24(34)33-25)26(27,28)29/h3-9,15-16H,10-14,17H2,1-2H3,(H,31,32,33)/b6-4+
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n/an/a 1.60n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells

Bioorg Med Chem Lett 26: 5926-5930 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.092
BindingDB Entry DOI: 10.7270/Q2ST7RTJ
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50207352
PNG
(CHEMBL3908093)
Show SMILES CCS(=O)(=O)N1CCCCC(=O)N2CCc3cc(Nc4ncc(c(NCc5ccccc15)n4)C(F)(F)F)ccc23
Show InChI InChI=1S/C27H29F3N6O3S/c1-2-40(38,39)36-13-6-5-9-24(37)35-14-12-18-15-20(10-11-22(18)35)33-26-32-17-21(27(28,29)30)25(34-26)31-16-19-7-3-4-8-23(19)36/h3-4,7-8,10-11,15,17H,2,5-6,9,12-14,16H2,1H3,(H2,31,32,33,34)
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n/an/a 1.90n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells

Bioorg Med Chem Lett 26: 5926-5930 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.092
BindingDB Entry DOI: 10.7270/Q2ST7RTJ
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246378
PNG
(CHEMBL452341 | N-(2-{[2-(2,2-Dioxo-2,3-dihydro-1H-...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NS(=O)(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H21F3N6O4S2/c1-30(35(2,31)32)18-6-4-3-5-13(18)10-25-19-16(21(22,23)24)11-26-20(28-19)27-15-7-8-17-14(9-15)12-36(33,34)29-17/h3-9,11,29H,10,12H2,1-2H3,(H2,25,26,27,28)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50207354
PNG
(CHEMBL3961368)
Show SMILES CS(=O)(=O)N1C\C=C\c2cccc(Nc3ncc(c(NCc4cccnc14)n3)C(F)(F)F)c2 |t:6|
Show InChI InChI=1S/C21H19F3N6O2S/c1-33(31,32)30-10-4-6-14-5-2-8-16(11-14)28-20-27-13-17(21(22,23)24)18(29-20)26-12-15-7-3-9-25-19(15)30/h2-9,11,13H,10,12H2,1H3,(H2,26,27,28,29)/b6-4+
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n/an/a 2.60n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells

Bioorg Med Chem Lett 26: 5926-5930 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.092
BindingDB Entry DOI: 10.7270/Q2ST7RTJ
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50207362
PNG
(CHEMBL3977870)
Show SMILES CN1Cc2ccncc2N(C\C=C\c2cc(Nc3ncc(c1n3)C(F)(F)F)ccc2N1CCOCC1)S(C)(=O)=O |t:12|
Show InChI InChI=1S/C26H28F3N7O3S/c1-34-17-19-7-8-30-16-23(19)36(40(2,37)38)9-3-4-18-14-20(5-6-22(18)35-10-12-39-13-11-35)32-25-31-15-21(24(34)33-25)26(27,28)29/h3-8,14-16H,9-13,17H2,1-2H3,(H,31,32,33)/b4-3+
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n/an/a 2.70n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells

Bioorg Med Chem Lett 26: 5926-5930 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.092
BindingDB Entry DOI: 10.7270/Q2ST7RTJ
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50207361
PNG
(CHEMBL3889951)
Show SMILES CS(=O)(=O)N1CCCCC(=O)N2CCc3cc(Nc4ncc(c(NCc5cccnc15)n4)C(F)(F)F)ccc23
Show InChI InChI=1S/C25H26F3N7O3S/c1-39(37,38)35-11-3-2-6-21(36)34-12-9-16-13-18(7-8-20(16)34)32-24-31-15-19(25(26,27)28)22(33-24)30-14-17-5-4-10-29-23(17)35/h4-5,7-8,10,13,15H,2-3,6,9,11-12,14H2,1H3,(H2,30,31,32,33)
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n/an/a 3.10n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells

Bioorg Med Chem Lett 26: 5926-5930 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.092
BindingDB Entry DOI: 10.7270/Q2ST7RTJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50207348
PNG
(CHEMBL3912281)
Show SMILES FC(F)(F)c1cnc2Nc3ccc4N(CCc4c3)C(=O)CCCNS(=O)(=O)c3ncccc3CNc1n2
Show InChI InChI=1S/C23H22F3N7O3S/c24-23(25,26)17-13-29-22-31-16-5-6-18-14(11-16)7-10-33(18)19(34)4-2-9-30-37(35,36)21-15(3-1-8-27-21)12-28-20(17)32-22/h1,3,5-6,8,11,13,30H,2,4,7,9-10,12H2,(H2,28,29,31,32)
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n/an/a 3.5n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells

Bioorg Med Chem Lett 26: 5926-5930 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.092
BindingDB Entry DOI: 10.7270/Q2ST7RTJ
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246239
PNG
(CHEMBL487229 | N-methyl-N-(2-((2-(1-oxoisoindolin-...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3C(=O)NCc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)10-26-19-17(22(23,24)25)12-28-21(30-19)29-15-7-8-16-14(9-15)11-27-20(16)32/h3-9,12H,10-11H2,1-2H3,(H,27,32)(H2,26,28,29,30)
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246330
PNG
(1-{6-[4-((1R,2R)-2-Dimethylamino-cyclopentylamino)...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3C4CCC(N4C(C)=O)c3c2)ncc1C(F)(F)F |r,TLB:26:25:19.18:21,THB:15:16:19.18:21,22:21:19.18:16.25|
Show InChI InChI=1S/C24H29F3N6O/c1-13(34)33-19-9-10-20(33)16-11-14(7-8-15(16)19)29-23-28-12-17(24(25,26)27)22(31-23)30-18-5-4-6-21(18)32(2)3/h7-8,11-12,18-21H,4-6,9-10H2,1-3H3,(H2,28,29,30,31)/t18-,19?,20?,21-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50402996
PNG
(CHEMBL2207440)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(n[nH]1)-c1ccc2ncccc2c1)C(C)(C)C
Show InChI InChI=1S/C27H27N7O/c1-17-7-10-20(11-8-17)34-25(16-23(33-34)27(2,3)4)30-26(35)29-24-15-22(31-32-24)19-9-12-21-18(14-19)6-5-13-28-21/h5-16H,1-4H3,(H3,29,30,31,32,35)
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n/an/a 6.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His-tagged PYK2 using ATP as substrate incubated for 1 hr prior to substrate addition

Bioorg Med Chem Lett 22: 7523-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.039
BindingDB Entry DOI: 10.7270/Q2319X2C
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(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 |r|
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/a 8.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PYK2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay

Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50418579
PNG
(CHEMBL2029181)
Show SMILES CCNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C21H29F3N6OS/c1-5-26-32(4,31)15-11-9-14(10-12-15)27-20-25-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(2)3/h9-13,17-18H,4-8H2,1-3H3,(H,26,31)(H2,25,27,28,29)/t17-,18-,32?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 by PYK2-LI-COR cellular assay

Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(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 |r|
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/a 10.6n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human PYK2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay

Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246060
PNG
(CHEMBL472212 | CHEMBL541649 | D3RKN_6 | N-methyl-N...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 11n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human recombinant PYK2 catalytic domain (416 to 692 residues) expressed in baculovi...

Nat Rev Drug Discov 16: 424-440 (2017)


Article DOI: 10.1038/nrd.2016.266
BindingDB Entry DOI: 10.7270/Q2125VNC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246060
PNG
(CHEMBL472212 | CHEMBL541649 | D3RKN_6 | N-methyl-N...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246060
PNG
(CHEMBL472212 | CHEMBL541649 | D3RKN_6 | N-methyl-N...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 11n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2

J Med Chem 53: 4332-53 (2010)


Article DOI: 10.1021/jm9018756
BindingDB Entry DOI: 10.7270/Q21R6QPF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PTK2B (unknown origin) using Km levels of ATP

J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50318884
PNG
(CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...)
Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 13n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Reversible inhibition of PYK2 (unknown origin)

Eur J Med Chem 134: 159-184 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.003
BindingDB Entry DOI: 10.7270/Q23X88SH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50318884
PNG
(CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...)
Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 13n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells

Bioorg Med Chem Lett 26: 5926-5930 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.092
BindingDB Entry DOI: 10.7270/Q2ST7RTJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50402999
PNG
(CHEMBL2207441)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(n[nH]1)-c1ccc2nccnc2c1)C(C)(C)C
Show InChI InChI=1S/C26H26N8O/c1-16-5-8-18(9-6-16)34-24(15-22(33-34)26(2,3)4)30-25(35)29-23-14-20(31-32-23)17-7-10-19-21(13-17)28-12-11-27-19/h5-15H,1-4H3,(H3,29,30,31,32,35)
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His-tagged PYK2 using ATP as substrate incubated for 1 hr prior to substrate addition

Bioorg Med Chem Lett 22: 7523-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.039
BindingDB Entry DOI: 10.7270/Q2319X2C
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50018830
PNG
(CHEMBL3286830 | US10543199, Compound PF-06463922 |...)
Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N |r|
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PTK2B (unknown origin) by TR-FRET-based Z'-LYTE assay

J Med Chem 57: 4720-44 (2014)


Article DOI: 10.1021/jm500261q
BindingDB Entry DOI: 10.7270/Q2K35W68
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50318884
PNG
(CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...)
Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 14n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2

J Med Chem 53: 4332-53 (2010)


Article DOI: 10.1021/jm9018756
BindingDB Entry DOI: 10.7270/Q21R6QPF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50318884
PNG
(CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...)
Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Pyk2 (unknown origin)

Citation and Details

Article DOI: 10.1007/s00044-013-0768-0
BindingDB Entry DOI: 10.7270/Q2XW4M8H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246188
PNG
(5-(4-(2-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F
Show InChI InChI=1S/C21H18F3N5O3S/c1-33(31,32)17-5-3-2-4-12(17)10-25-19-15(21(22,23)24)11-26-20(29-19)27-14-6-7-16-13(8-14)9-18(30)28-16/h2-8,11H,9-10H2,1H3,(H,28,30)(H2,25,26,27,29)
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50418579
PNG
(CHEMBL2029181)
Show SMILES CCNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C21H29F3N6OS/c1-5-26-32(4,31)15-11-9-14(10-12-15)27-20-25-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(2)3/h9-13,17-18H,4-8H2,1-3H3,(H,26,31)(H2,25,27,28,29)/t17-,18-,32?/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 assessed as reduction in peptide substrate phosphoryltion by fluorimetric method

Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246189
PNG
(5-(4-(2-(pyrrolidin-1-ylsulfonyl)benzylamino)-5-(t...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C24H23F3N6O3S/c25-24(26,27)18-14-29-23(30-17-7-8-19-16(11-17)12-21(34)31-19)32-22(18)28-13-15-5-1-2-6-20(15)37(35,36)33-9-3-4-10-33/h1-2,5-8,11,14H,3-4,9-10,12-13H2,(H,31,34)(H2,28,29,30,32)
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50207351
PNG
(CHEMBL3965256)
Show SMILES CS(=O)(=O)N(CC=C)c1ncccc1CNc1nc(Nc2ccc(N3CCOCC3)c(Br)c2)ncc1C(F)(F)F
Show InChI InChI=1S/C25H27BrF3N7O3S/c1-3-9-36(40(2,37)38)23-17(5-4-8-30-23)15-31-22-19(25(27,28)29)16-32-24(34-22)33-18-6-7-21(20(26)14-18)35-10-12-39-13-11-35/h3-8,14,16H,1,9-13,15H2,2H3,(H2,31,32,33,34)
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n/an/a 20n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells

Bioorg Med Chem Lett 26: 5926-5930 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.092
BindingDB Entry DOI: 10.7270/Q2ST7RTJ
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM245658
PNG
(US9428508, 113)
Show SMILES CCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC(C)(C)c12
Show InChI InChI=1S/C27H35N7O4S/c1-5-29-39(35,36)22-9-7-6-8-20(22)30-25-23-24(28-17-27(23,2)3)32-26(33-25)31-19-11-10-18(16-21(19)37-4)34-12-14-38-15-13-34/h6-11,16,29H,5,12-15,17H2,1-4H3,(H3,28,30,31,32,33)
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n/an/a<20n/an/an/an/an/an/a



Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...

US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM245659
PNG
(US9428508, 114)
Show SMILES COCCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC(C)(C)c12
Show InChI InChI=1S/C29H39N7O5S/c1-29(2)19-30-26-25(29)27(32-22-8-5-6-9-24(22)42(37,38)31-12-7-15-39-3)35-28(34-26)33-21-11-10-20(18-23(21)40-4)36-13-16-41-17-14-36/h5-6,8-11,18,31H,7,12-17,19H2,1-4H3,(H3,30,32,33,34,35)
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n/an/a<20n/an/an/an/an/an/a



Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...

US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM245660
PNG
(US9428508, 115)
Show SMILES COCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC(C)(C)c12
Show InChI InChI=1S/C28H37N7O5S/c1-28(2)18-29-25-24(28)26(31-21-7-5-6-8-23(21)41(36,37)30-11-14-38-3)34-27(33-25)32-20-10-9-19(17-22(20)39-4)35-12-15-40-16-13-35/h5-10,17,30H,11-16,18H2,1-4H3,(H3,29,31,32,33,34)
PDB

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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...

US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM245662
PNG
(US9428508, 117)
Show SMILES COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(Nc2ccccc2S(=O)(=O)NC(C)(C)C)n1)N1CCOCC1
Show InChI InChI=1S/C29H39N7O4S/c1-28(2,3)35-41(37,38)23-10-8-7-9-21(23)31-26-24-25(30-18-29(24,4)5)33-27(34-26)32-20-12-11-19(17-22(20)39-6)36-13-15-40-16-14-36/h7-12,17,35H,13-16,18H2,1-6H3,(H3,30,31,32,33,34)
PDB

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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...

US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM245673
PNG
(US9428508, 128)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cccc3OCCOc23)nc2NCC(C)(C)c12
Show InChI InChI=1S/C24H26N6O3/c1-24(2)13-26-20-18(24)21(27-15-8-5-4-7-14(15)22(31)25-3)30-23(29-20)28-16-9-6-10-17-19(16)33-12-11-32-17/h4-10H,11-13H2,1-3H3,(H,25,31)(H3,26,27,28,29,30)
PDB

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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...

US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM245676
PNG
(US9428508, 131)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cccc3ccoc23)nc2NCC(C)(C)c12
Show InChI InChI=1S/C24H24N6O2/c1-24(2)13-26-20-18(24)21(27-16-9-5-4-8-15(16)22(31)25-3)30-23(29-20)28-17-10-6-7-14-11-12-32-19(14)17/h4-12H,13H2,1-3H3,(H,25,31)(H3,26,27,28,29,30)
PDB

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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...

US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM245680
PNG
(US9428508, 135)
Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC3(CC3)c12
Show InChI InChI=1S/C26H31N7O4S/c1-27-38(34,35)21-6-4-3-5-19(21)29-24-22-23(28-16-26(22)9-10-26)31-25(32-24)30-18-8-7-17(15-20(18)36-2)33-11-13-37-14-12-33/h3-8,15,27H,9-14,16H2,1-2H3,(H3,28,29,30,31,32)
PDB

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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...

US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM245681
PNG
(US9428508, 136)
Show SMILES COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)NC(C)(C)C)n1)N1CCOCC1
Show InChI InChI=1S/C29H37N7O4S/c1-28(2,3)35-41(37,38)23-8-6-5-7-21(23)31-26-24-25(30-18-29(24)11-12-29)33-27(34-26)32-20-10-9-19(17-22(20)39-4)36-13-15-40-16-14-36/h5-10,17,35H,11-16,18H2,1-4H3,(H3,30,31,32,33,34)
PDB

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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...

US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM245682
PNG
(US9428508, 137)
Show SMILES COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)NCC(C)C)n1)N1CCOCC1
Show InChI InChI=1S/C29H37N7O4S/c1-19(2)17-31-41(37,38)24-7-5-4-6-22(24)32-27-25-26(30-18-29(25)10-11-29)34-28(35-27)33-21-9-8-20(16-23(21)39-3)36-12-14-40-15-13-36/h4-9,16,19,31H,10-15,17-18H2,1-3H3,(H3,30,32,33,34,35)
PDB

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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...

US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM245683
PNG
(US9428508, 138)
Show SMILES COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCOCC1
Show InChI InChI=1S/C28H35N7O4S/c1-18(2)34-40(36,37)23-7-5-4-6-21(23)30-26-24-25(29-17-28(24)10-11-28)32-27(33-26)31-20-9-8-19(16-22(20)38-3)35-12-14-39-15-13-35/h4-9,16,18,34H,10-15,17H2,1-3H3,(H3,29,30,31,32,33)
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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...

US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM245684
PNG
(US9428508, 139)
Show SMILES CCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC3(CC3)c12
Show InChI InChI=1S/C27H33N7O4S/c1-3-29-39(35,36)22-7-5-4-6-20(22)30-25-23-24(28-17-27(23)10-11-27)32-26(33-25)31-19-9-8-18(16-21(19)37-2)34-12-14-38-15-13-34/h4-9,16,29H,3,10-15,17H2,1-2H3,(H3,28,30,31,32,33)
PDB

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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...

US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM245685
PNG
(US9428508, 140)
Show SMILES COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)NCC2CC2)n1)N1CCOCC1
Show InChI InChI=1S/C29H35N7O4S/c1-39-23-16-20(36-12-14-40-15-13-36)8-9-21(23)33-28-34-26-25(29(10-11-29)18-30-26)27(35-28)32-22-4-2-3-5-24(22)41(37,38)31-17-19-6-7-19/h2-5,8-9,16,19,31H,6-7,10-15,17-18H2,1H3,(H3,30,32,33,34,35)
PDB

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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...

US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM245686
PNG
(US9428508, 141)
Show SMILES COCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC3(CC3)c12
Show InChI InChI=1S/C28H35N7O5S/c1-38-14-11-30-41(36,37)23-6-4-3-5-21(23)31-26-24-25(29-18-28(24)9-10-28)33-27(34-26)32-20-8-7-19(17-22(20)39-2)35-12-15-40-16-13-35/h3-8,17,30H,9-16,18H2,1-2H3,(H3,29,31,32,33,34)
PDB

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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...

US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM245689
PNG
(US9428508, 144)
Show SMILES COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)NCC=C)n1)N1CCOCC1
Show InChI InChI=1S/C28H33N7O4S/c1-3-12-30-40(36,37)23-7-5-4-6-21(23)31-26-24-25(29-18-28(24)10-11-28)33-27(34-26)32-20-9-8-19(17-22(20)38-2)35-13-15-39-16-14-35/h3-9,17,30H,1,10-16,18H2,2H3,(H3,29,31,32,33,34)
PDB

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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...

US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM245692
PNG
(US9428508, 147)
Show SMILES CCC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC3(CC3)c12
Show InChI InChI=1S/C29H37N7O4S/c1-4-19(2)35-41(37,38)24-8-6-5-7-22(24)31-27-25-26(30-18-29(25)11-12-29)33-28(34-27)32-21-10-9-20(17-23(21)39-3)36-13-15-40-16-14-36/h5-10,17,19,35H,4,11-16,18H2,1-3H3,(H3,30,31,32,33,34)
PDB

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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...

US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM245693
PNG
(US9428508, 148)
Show SMILES CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC3(CC3)c12
Show InChI InChI=1S/C28H35N7O4S/c1-3-12-30-40(36,37)23-7-5-4-6-21(23)31-26-24-25(29-18-28(24)10-11-28)33-27(34-26)32-20-9-8-19(17-22(20)38-2)35-13-15-39-16-14-35/h4-9,17,30H,3,10-16,18H2,1-2H3,(H3,29,31,32,33,34)
PDB

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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...

US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair
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