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Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'deyanat-yazdi' and Initial = 'g'   
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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317482
PNG
(4-(4-((1s,4s)-4-hydroxy-4- methylcyclohexyloxy)-5-...)
Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC3CN(C)C3)nc(OC3CC[C@@](C)(O)CC3)c12 |r,wU:39.43,wD:39.42,(6.47,11.4,;6.08,9.92,;4.59,9.52,;3.5,10.61,;4.19,8.03,;5.28,6.94,;4.88,5.45,;3.39,5.06,;2.3,6.15,;2.7,7.63,;2.99,3.57,;3.9,2.32,;2.99,1.08,;1.53,1.55,;.19,.78,;-1.14,1.55,;-2.47,.78,;-2.47,-.76,;-1.14,-1.53,;-1.14,-3.07,;-2.47,-3.84,;-3.81,-3.07,;-3.81,-1.53,;-5.14,-.76,;-6.47,-1.53,;-2.47,-5.38,;-1.14,-6.15,;-3.81,-6.15,;-3.81,-7.69,;-4.9,-8.78,;-3.81,-9.86,;-3.81,-11.4,;-2.72,-8.78,;-1.14,3.09,;.19,3.86,;.19,5.4,;-1.14,6.17,;-2.47,5.4,;-3.81,6.17,;-3.81,7.71,;-3.81,9.25,;-5.14,6.94,;-2.47,8.48,;-1.14,7.71,;1.53,3.09,)|
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n/an/a 1.15n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317480
PNG
(4-(4-isopropoxy-5-(4- (methylcarbamoyl)phenyl)-7H-...)
Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC3COC3)nc(OC(C)C)c12
Show InChI InChI=1S/C28H30N6O5/c1-15(2)39-27-23-20(16-5-7-17(8-6-16)25(35)29-3)12-30-24(23)33-28(34-27)32-21-10-9-18(11-22(21)37-4)26(36)31-19-13-38-14-19/h5-12,15,19H,13-14H2,1-4H3,(H,29,35)(H,31,36)(H2,30,32,33,34)
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n/an/a 1.42n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317482
PNG
(4-(4-((1s,4s)-4-hydroxy-4- methylcyclohexyloxy)-5-...)
Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC3CN(C)C3)nc(OC3CC[C@@](C)(O)CC3)c12 |r,wU:39.43,wD:39.42,(6.47,11.4,;6.08,9.92,;4.59,9.52,;3.5,10.61,;4.19,8.03,;5.28,6.94,;4.88,5.45,;3.39,5.06,;2.3,6.15,;2.7,7.63,;2.99,3.57,;3.9,2.32,;2.99,1.08,;1.53,1.55,;.19,.78,;-1.14,1.55,;-2.47,.78,;-2.47,-.76,;-1.14,-1.53,;-1.14,-3.07,;-2.47,-3.84,;-3.81,-3.07,;-3.81,-1.53,;-5.14,-.76,;-6.47,-1.53,;-2.47,-5.38,;-1.14,-6.15,;-3.81,-6.15,;-3.81,-7.69,;-4.9,-8.78,;-3.81,-9.86,;-3.81,-11.4,;-2.72,-8.78,;-1.14,3.09,;.19,3.86,;.19,5.4,;-1.14,6.17,;-2.47,5.4,;-3.81,6.17,;-3.81,7.71,;-3.81,9.25,;-5.14,6.94,;-2.47,8.48,;-1.14,7.71,;1.53,3.09,)|
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n/an/a 1.43n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317475
PNG
(3-cyano-N-methyl-4-(5-(2- methylbenzo[d]oxazol-6-y...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(c1)C#N
Show InChI InChI=1S/C28H25N7O4/c1-15-32-22-6-3-16(12-23(22)38-15)20-14-31-25-24(20)27(39-19-7-9-37-10-8-19)35-28(34-25)33-21-5-4-17(26(36)30-2)11-18(21)13-29/h3-6,11-12,14,19H,7-10H2,1-2H3,(H,30,36)(H2,31,33,34,35)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317466
PNG
(4-(4-methoxy-5-(pyridin-4-yl)- 7H-pyrrolo[2,3-d]py...)
Show SMILES COc1nc(Nc2ccc(cc2C)C(=O)N(C)C)nc2[nH]cc(-c3ccncc3)c12
Show InChI InChI=1S/C22H22N6O2/c1-13-11-15(21(29)28(2)3)5-6-17(13)25-22-26-19-18(20(27-22)30-4)16(12-24-19)14-7-9-23-10-8-14/h5-12H,1-4H3,(H2,24,25,26,27)
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n/an/a<1.5n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317471
PNG
((S)-3-chloro-N-methyl-4-(5-(2- methylbenzo[d]oxazo...)
Show SMILES CNC(=O)c1ccc(Nc2nc(O[C@H]3CCOC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(Cl)c1 |r|
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317467
PNG
(3-methoxy-N-methyl-4-(5-(2- methylbenzo[d]oxazol-6...)
Show SMILES CNC(=O)c1ccc(Nc2nc(NC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1
Show InChI InChI=1S/C28H29N7O4/c1-15-31-21-6-4-16(12-23(21)39-15)19-14-30-25-24(19)26(32-18-8-10-38-11-9-18)35-28(34-25)33-20-7-5-17(27(36)29-2)13-22(20)37-3/h4-7,12-14,18H,8-11H2,1-3H3,(H,29,36)(H3,30,32,33,34,35)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317485
PNG
(3-chloro-N-methyl-4-(5-(1- methyl-1H-pyrazol-4-yl)...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2cnn(C)c2)c(Cl)c1
Show InChI InChI=1S/C23H24ClN7O3/c1-25-21(32)13-3-4-18(17(24)9-13)28-23-29-20-19(16(11-26-20)14-10-27-31(2)12-14)22(30-23)34-15-5-7-33-8-6-15/h3-4,9-12,15H,5-8H2,1-2H3,(H,25,32)(H2,26,28,29,30)
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n/an/a 1.90n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317465
PNG
(4-(4-(cyclopentyloxy)-5-(4- (methylcarbamoyl)pheny...)
Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC)nc(OC3CCCC3)c12
Show InChI InChI=1S/C28H30N6O4/c1-29-25(35)17-10-8-16(9-11-17)20-15-31-24-23(20)27(38-19-6-4-5-7-19)34-28(33-24)32-21-13-12-18(26(36)30-2)14-22(21)37-3/h8-15,19H,4-7H2,1-3H3,(H,29,35)(H,30,36)(H2,31,32,33,34)
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n/an/a 1.91n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317483
PNG
(3-chloro-N-methyl-4-(5-(4- (methylcarbamoyl)phenyl...)
Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3Cl)C(=O)NC)nc(OC3CCOCC3)c12
Show InChI InChI=1S/C27H27ClN6O4/c1-29-24(35)16-5-3-15(4-6-16)19-14-31-23-22(19)26(38-18-9-11-37-12-10-18)34-27(33-23)32-21-8-7-17(13-20(21)28)25(36)30-2/h3-8,13-14,18H,9-12H2,1-2H3,(H,29,35)(H,30,36)(H2,31,32,33,34)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317473
PNG
(4-(5-(4-(1H-imidazol-2- yl)phenyl)-4-(tetrahydro-2...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc(cc2)-c2ncc[nH]2)c(OC)c1
Show InChI InChI=1S/C29H29N7O4/c1-30-27(37)19-7-8-22(23(15-19)38-2)34-29-35-26-24(28(36-29)40-20-9-13-39-14-10-20)21(16-33-26)17-3-5-18(6-4-17)25-31-11-12-32-25/h3-8,11-12,15-16,20H,9-10,13-14H2,1-2H3,(H,30,37)(H,31,32)(H2,33,34,35,36)
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n/an/a 2.12n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317468
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Show SMILES COc1cc(ccc1Nc1nc(OC2CCCC2)c2c(c[nH]c2n1)-c1ccc2nc(C)oc2c1)C(=O)NCCO
Show InChI InChI=1S/C29H30N6O5/c1-16-32-22-9-7-17(13-24(22)39-16)20-15-31-26-25(20)28(40-19-5-3-4-6-19)35-29(34-26)33-21-10-8-18(14-23(21)38-2)27(37)30-11-12-36/h7-10,13-15,19,36H,3-6,11-12H2,1-2H3,(H,30,37)(H2,31,33,34,35)
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n/an/a 2.13n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317471
PNG
((S)-3-chloro-N-methyl-4-(5-(2- methylbenzo[d]oxazo...)
Show SMILES CNC(=O)c1ccc(Nc2nc(O[C@H]3CCOC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(Cl)c1 |r|
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317469
PNG
(3-methoxy-4-(4-methoxy-5-(6- methoxypyridin-3-yl)-...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC)c3c(c[nH]c3n2)-c2ccc(OC)nc2)c(OC)c1
Show InChI InChI=1S/C22H22N6O4/c1-23-20(29)12-5-7-15(16(9-12)30-2)26-22-27-19-18(21(28-22)32-4)14(11-25-19)13-6-8-17(31-3)24-10-13/h5-11H,1-4H3,(H,23,29)(H2,25,26,27,28)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317475
PNG
(3-cyano-N-methyl-4-(5-(2- methylbenzo[d]oxazol-6-y...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(c1)C#N
Show InChI InChI=1S/C28H25N7O4/c1-15-32-22-6-3-16(12-23(22)38-15)20-14-31-25-24(20)27(39-19-7-9-37-10-8-19)35-28(34-25)33-21-5-4-17(26(36)30-2)11-18(21)13-29/h3-6,11-12,14,19H,7-10H2,1-2H3,(H,30,36)(H2,31,33,34,35)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317479
PNG
(4-(4-cyclobutoxy-5-(4- (methylcarbamoyl)phenyl)-7H...)
Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC3COC3)nc(OC3CCC3)c12
Show InChI InChI=1S/C29H30N6O5/c1-30-26(36)17-8-6-16(7-9-17)21-13-31-25-24(21)28(40-20-4-3-5-20)35-29(34-25)33-22-11-10-18(12-23(22)38-2)27(37)32-19-14-39-15-19/h6-13,19-20H,3-5,14-15H2,1-2H3,(H,30,36)(H,32,37)(H2,31,33,34,35)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317465
PNG
(4-(4-(cyclopentyloxy)-5-(4- (methylcarbamoyl)pheny...)
Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC)nc(OC3CCCC3)c12
Show InChI InChI=1S/C28H30N6O4/c1-29-25(35)17-10-8-16(9-11-17)20-15-31-24-23(20)27(38-19-6-4-5-7-19)34-28(33-24)32-21-13-12-18(26(36)30-2)14-22(21)37-3/h8-15,19H,4-7H2,1-3H3,(H,29,35)(H,30,36)(H2,31,32,33,34)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317472
PNG
(N,3-dimethyl-4-(5-(2- methylbenzo[d]oxazol-6-yl)-4...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(C)c1
Show InChI InChI=1S/C28H28N6O4/c1-15-12-18(26(35)29-3)5-6-21(15)32-28-33-25-24(27(34-28)38-19-8-10-36-11-9-19)20(14-30-25)17-4-7-22-23(13-17)37-16(2)31-22/h4-7,12-14,19H,8-11H2,1-3H3,(H,29,35)(H2,30,32,33,34)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317474
PNG
(4-(4-cyclopropoxy-5-(2- methylbenzo[d]oxazol-6-yl)...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1
Show InChI InChI=1S/C26H24N6O4/c1-13-29-19-8-4-14(10-21(19)35-13)17-12-28-23-22(17)25(36-16-6-7-16)32-26(31-23)30-18-9-5-15(24(33)27-2)11-20(18)34-3/h4-5,8-12,16H,6-7H2,1-3H3,(H,27,33)(H2,28,30,31,32)
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n/an/a 2.96n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317485
PNG
(3-chloro-N-methyl-4-(5-(1- methyl-1H-pyrazol-4-yl)...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2cnn(C)c2)c(Cl)c1
Show InChI InChI=1S/C23H24ClN7O3/c1-25-21(32)13-3-4-18(17(24)9-13)28-23-29-20-19(16(11-26-20)14-10-27-31(2)12-14)22(30-23)34-15-5-7-33-8-6-15/h3-4,9-12,15H,5-8H2,1-2H3,(H,25,32)(H2,26,28,29,30)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317468
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Show SMILES COc1cc(ccc1Nc1nc(OC2CCCC2)c2c(c[nH]c2n1)-c1ccc2nc(C)oc2c1)C(=O)NCCO
Show InChI InChI=1S/C29H30N6O5/c1-16-32-22-9-7-17(13-24(22)39-16)20-15-31-26-25(20)28(40-19-5-3-4-6-19)35-29(34-26)33-21-10-8-18(14-23(21)38-2)27(37)30-11-12-36/h7-10,13-15,19,36H,3-6,11-12H2,1-2H3,(H,30,37)(H2,31,33,34,35)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317467
PNG
(3-methoxy-N-methyl-4-(5-(2- methylbenzo[d]oxazol-6...)
Show SMILES CNC(=O)c1ccc(Nc2nc(NC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1
Show InChI InChI=1S/C28H29N7O4/c1-15-31-21-6-4-16(12-23(21)39-15)19-14-30-25-24(19)26(32-18-8-10-38-11-9-18)35-28(34-25)33-20-7-5-17(27(36)29-2)13-22(20)37-3/h4-7,12-14,18H,8-11H2,1-3H3,(H,29,36)(H3,30,32,33,34,35)
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n/an/a 3.5n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317476
PNG
(N-methyl-4-(5-(2- methylbenzo[d]oxazol-6-yl)-4- (t...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H25F3N6O4/c1-14-34-21-6-3-15(12-22(21)40-14)18-13-33-24-23(18)26(41-17-7-9-39-10-8-17)37-27(36-24)35-20-5-4-16(25(38)32-2)11-19(20)28(29,30)31/h3-6,11-13,17H,7-10H2,1-2H3,(H,32,38)(H2,33,35,36,37)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317470
PNG
(3-chloro-N-methyl-4-(5-(2- methylbenzo[d]oxazol-6-...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(Cl)c1
Show InChI InChI=1S/C27H25ClN6O4/c1-14-31-21-6-3-15(12-22(21)37-14)18-13-30-24-23(18)26(38-17-7-9-36-10-8-17)34-27(33-24)32-20-5-4-16(11-19(20)28)25(35)29-2/h3-6,11-13,17H,7-10H2,1-2H3,(H,29,35)(H2,30,32,33,34)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317460
PNG
(4-(5-(4-hydroxyphenyl)-4- (tetrahydro-2H-pyran-4-y...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc(O)cc2)c(OC)c1
Show InChI InChI=1S/C26H27N5O5/c1-27-24(33)16-5-8-20(21(13-16)34-2)29-26-30-23-22(25(31-26)36-18-9-11-35-12-10-18)19(14-28-23)15-3-6-17(32)7-4-15/h3-8,13-14,18,32H,9-12H2,1-2H3,(H,27,33)(H2,28,29,30,31)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317478
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Show SMILES COc1cc(ccc1Nc1nc(OC2CCCC2)c2c(c[nH]c2n1)-c1ccc2nc(C)oc2c1)C(=O)NC1CN(C)C1
Show InChI InChI=1S/C31H33N7O4/c1-17-33-24-10-8-18(12-26(24)41-17)22-14-32-28-27(22)30(42-21-6-4-5-7-21)37-31(36-28)35-23-11-9-19(13-25(23)40-3)29(39)34-20-15-38(2)16-20/h8-14,20-21H,4-7,15-16H2,1-3H3,(H,34,39)(H2,32,35,36,37)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317466
PNG
(4-(4-methoxy-5-(pyridin-4-yl)- 7H-pyrrolo[2,3-d]py...)
Show SMILES COc1nc(Nc2ccc(cc2C)C(=O)N(C)C)nc2[nH]cc(-c3ccncc3)c12
Show InChI InChI=1S/C22H22N6O2/c1-13-11-15(21(29)28(2)3)5-6-17(13)25-22-26-19-18(20(27-22)30-4)16(12-24-19)14-7-9-23-10-8-14/h5-12H,1-4H3,(H2,24,25,26,27)
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n/an/a 4.56n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317462
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1
Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)
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n/an/a 5n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human full length recombinant GST-tagged TTK expressed in baculovirus by LanthaScreen Eu kinase binding assay

J Med Chem 60: 8989-9002 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01223
BindingDB Entry DOI: 10.7270/Q2GF0WX9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317469
PNG
(3-methoxy-4-(4-methoxy-5-(6- methoxypyridin-3-yl)-...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC)c3c(c[nH]c3n2)-c2ccc(OC)nc2)c(OC)c1
Show InChI InChI=1S/C22H22N6O4/c1-23-20(29)12-5-7-15(16(9-12)30-2)26-22-27-19-18(21(28-22)32-4)14(11-25-19)13-6-8-17(31-3)24-10-13/h5-11H,1-4H3,(H,23,29)(H2,25,26,27,28)
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n/an/a 5.14n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317481
PNG
(4-(4-cyclobutoxy-5-(2- methylbenzo[d]oxazol-6-yl)-...)
Show SMILES COc1cc(ccc1Nc1nc(OC2CCC2)c2c(c[nH]c2n1)-c1ccc2nc(C)oc2c1)C(=O)NC1COC1
Show InChI InChI=1S/C29H28N6O5/c1-15-31-22-8-6-16(10-24(22)39-15)20-12-30-26-25(20)28(40-19-4-3-5-19)35-29(34-26)33-21-9-7-17(11-23(21)37-2)27(36)32-18-13-38-14-18/h6-12,18-19H,3-5,13-14H2,1-2H3,(H,32,36)(H2,30,33,34,35)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317462
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1
Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)
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n/an/a 6n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CLK2 expressed in baculovirus by Z'-LYTE assay

J Med Chem 60: 8989-9002 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01223
BindingDB Entry DOI: 10.7270/Q2GF0WX9
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317481
PNG
(4-(4-cyclobutoxy-5-(2- methylbenzo[d]oxazol-6-yl)-...)
Show SMILES COc1cc(ccc1Nc1nc(OC2CCC2)c2c(c[nH]c2n1)-c1ccc2nc(C)oc2c1)C(=O)NC1COC1
Show InChI InChI=1S/C29H28N6O5/c1-15-31-22-8-6-16(10-24(22)39-15)20-12-30-26-25(20)28(40-19-4-3-5-19)35-29(34-26)33-21-9-7-17(11-23(21)37-2)27(36)32-18-13-38-14-18/h6-12,18-19H,3-5,13-14H2,1-2H3,(H,32,36)(H2,30,33,34,35)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317477
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Show SMILES CNC(=O)c1cc(OC)c(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)cc1F
Show InChI InChI=1S/C28H27FN6O4/c1-14-32-20-9-8-15(10-23(20)38-14)18-13-31-25-24(18)27(39-16-6-4-5-7-16)35-28(34-25)33-21-12-19(29)17(26(36)30-2)11-22(21)37-3/h8-13,16H,4-7H2,1-3H3,(H,30,36)(H2,31,33,34,35)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317462
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1
Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317476
PNG
(N-methyl-4-(5-(2- methylbenzo[d]oxazol-6-yl)-4- (t...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H25F3N6O4/c1-14-34-21-6-3-15(12-22(21)40-14)18-13-33-24-23(18)26(41-17-7-9-39-10-8-17)37-27(36-24)35-20-5-4-16(25(38)32-2)11-19(20)28(29,30)31/h3-6,11-13,17H,7-10H2,1-2H3,(H,32,38)(H2,33,35,36,37)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317477
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Show SMILES CNC(=O)c1cc(OC)c(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)cc1F
Show InChI InChI=1S/C28H27FN6O4/c1-14-32-20-9-8-15(10-23(20)38-14)18-13-31-25-24(18)27(39-16-6-4-5-7-16)35-28(34-25)33-21-12-19(29)17(26(36)30-2)11-22(21)37-3/h8-13,16H,4-7H2,1-3H3,(H,30,36)(H2,31,33,34,35)
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n/an/a 10.4n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317484
PNG
(3-chloro-4-(4-(cyclopentyloxy)-5- (2-methylbenzo[d...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(Cl)c1
Show InChI InChI=1S/C27H25ClN6O3/c1-14-31-21-10-7-15(12-22(21)36-14)18-13-30-24-23(18)26(37-17-5-3-4-6-17)34-27(33-24)32-20-9-8-16(11-19(20)28)25(35)29-2/h7-13,17H,3-6H2,1-2H3,(H,29,35)(H2,30,32,33,34)
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n/an/a 11.6n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317484
PNG
(3-chloro-4-(4-(cyclopentyloxy)-5- (2-methylbenzo[d...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(Cl)c1
Show InChI InChI=1S/C27H25ClN6O3/c1-14-31-21-10-7-15(12-22(21)36-14)18-13-30-24-23(18)26(37-17-5-3-4-6-17)34-27(33-24)32-20-9-8-16(11-19(20)28)25(35)29-2/h7-13,17H,3-6H2,1-2H3,(H,29,35)(H2,30,32,33,34)
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n/an/a 12.5n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317463
PNG
(4-(4-(cyclopentyloxy)-5-(6- methoxypyridin-3-yl)-7...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc(OC)nc2)c(OC)c1
Show InChI InChI=1S/C26H28N6O4/c1-27-24(33)15-8-10-19(20(12-15)34-2)30-26-31-23-22(25(32-26)36-17-6-4-5-7-17)18(14-29-23)16-9-11-21(35-3)28-13-16/h8-14,17H,4-7H2,1-3H3,(H,27,33)(H2,29,30,31,32)
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n/an/a 13.3n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317462
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1
Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)
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n/an/a 14n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317462
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1
Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)
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n/an/a 15n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of CLK2 in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to control

J Med Chem 60: 8989-9002 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01223
BindingDB Entry DOI: 10.7270/Q2GF0WX9
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317464
PNG
(4-(4-(cyclopentyloxy)-5-(6- ethoxypyridin-3-yl)-7H...)
Show SMILES CCOc1ccc(cn1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC)nc(OC3CCCC3)c12
Show InChI InChI=1S/C27H30N6O4/c1-4-36-22-12-10-17(14-29-22)19-15-30-24-23(19)26(37-18-7-5-6-8-18)33-27(32-24)31-20-11-9-16(25(34)28-2)13-21(20)35-3/h9-15,18H,4-8H2,1-3H3,(H,28,34)(H2,30,31,32,33)
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n/an/a 16n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317458
PNG
(4-(4-(cyclopentylamino)-5-(4- hydroxyphenyl)-7H-py...)
Show SMILES CNC(=O)c1ccc(Nc2nc(NC3CCCC3)c3c(c[nH]c3n2)-c2ccc(O)cc2)c(OC)c1
Show InChI InChI=1S/C26H28N6O3/c1-27-25(34)16-9-12-20(21(13-16)35-2)30-26-31-23-22(24(32-26)29-17-5-3-4-6-17)19(14-28-23)15-7-10-18(33)11-8-15/h7-14,17,33H,3-6H2,1-2H3,(H,27,34)(H3,28,29,30,31,32)
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n/an/a 26n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317470
PNG
(3-chloro-N-methyl-4-(5-(2- methylbenzo[d]oxazol-6-...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(Cl)c1
Show InChI InChI=1S/C27H25ClN6O4/c1-14-31-21-6-3-15(12-22(21)37-14)18-13-30-24-23(18)26(38-17-7-9-36-10-8-17)34-27(33-24)32-20-5-4-16(11-19(20)28)25(35)29-2/h3-6,11-13,17H,7-10H2,1-2H3,(H,29,35)(H2,30,32,33,34)
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n/an/a 29.1n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Homo sapiens (Human))		BDBM317465
PNG
(4-(4-(cyclopentyloxy)-5-(4- (methylcarbamoyl)pheny...)
Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC)nc(OC3CCCC3)c12
Show InChI InChI=1S/C28H30N6O4/c1-29-25(35)17-10-8-16(9-11-17)20-15-31-24-23(20)27(38-19-6-4-5-7-19)34-28(33-24)32-21-13-12-18(26(36)30-2)14-22(21)37-3/h8-15,19H,4-7H2,1-3H3,(H,29,35)(H,30,36)(H2,31,32,33,34)
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Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317456
PNG
(4-(4-(cyclopentyloxy)-5-(4- hydroxyphenyl)-7H-pyrr...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc(O)cc2)c(c1)C(C)C
Show InChI InChI=1S/C28H31N5O3/c1-16(2)21-14-18(26(35)29-3)10-13-23(21)31-28-32-25-24(27(33-28)36-20-6-4-5-7-20)22(15-30-25)17-8-11-19(34)12-9-17/h8-16,20,34H,4-7H2,1-3H3,(H,29,35)(H2,30,31,32,33)
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n/an/a 34.9n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317472
PNG
(N,3-dimethyl-4-(5-(2- methylbenzo[d]oxazol-6-yl)-4...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(C)c1
Show InChI InChI=1S/C28H28N6O4/c1-15-12-18(26(35)29-3)5-6-21(15)32-28-33-25-24(27(34-28)38-19-8-10-36-11-9-19)20(14-30-25)17-4-7-22-23(13-17)37-16(2)31-22/h4-7,12-14,19H,8-11H2,1-3H3,(H,29,35)(H2,30,32,33,34)
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n/an/a 40.1n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM317466
PNG
(4-(4-methoxy-5-(pyridin-4-yl)- 7H-pyrrolo[2,3-d]py...)
Show SMILES COc1nc(Nc2ccc(cc2C)C(=O)N(C)C)nc2[nH]cc(-c3ccncc3)c12
Show InChI InChI=1S/C22H22N6O2/c1-13-11-15(21(29)28(2)3)5-6-17(13)25-22-26-19-18(20(27-22)30-4)16(12-24-19)14-7-9-23-10-8-14/h5-12H,1-4H3,(H2,24,25,26,27)
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n/an/a 41.5n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))		BDBM317455
PNG
(4-(4-(cyclopentyloxy)-5-(4- hydroxyphenyl)-7H-pyrr...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc(O)cc2)c(OC)c1
Show InChI InChI=1S/C26H27N5O4/c1-27-24(33)16-9-12-20(21(13-16)34-2)29-26-30-23-22(25(31-26)35-18-5-3-4-6-18)19(14-28-23)15-7-10-17(32)11-8-15/h7-14,18,32H,3-6H2,1-2H3,(H,27,33)(H2,28,29,30,31)
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n/an/a 53.9n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM317462
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1
Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)
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n/an/a 57n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of TTK phosphorylation at T686 residue in human CAL51 cells after 1 hr by Western blot analysis

J Med Chem 60: 8989-9002 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01223
BindingDB Entry DOI: 10.7270/Q2GF0WX9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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