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Patent code US8791257

Compile Data Set for Download or QSAR
Found 60 hits of Enzyme Inhibition Constant Data   
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
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127331
PNG
(US8791257, 138)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CCOC2)c2c(N)ncnn12
Show InChI InChI=1S/C17H18N6O3/c1-25-14-6-10(2-4-19-14)13-7-12(15-16(18)20-9-21-23(13)15)17(24)22-11-3-5-26-8-11/h2,4,6-7,9,11H,3,5,8H2,1H3,(H,22,24)(H2,18,20,21)/t11-/m0/s1
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n/an/a 2.20n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127326
PNG
(US8791257, 118)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@@H]2CCCN(C2)C(=O)C2(N)CC2)c2c(N)ncnn12
Show InChI InChI=1S/C22H26N8O3/c1-33-17-9-13(4-7-25-17)16-10-15(18-19(23)26-12-27-30(16)18)20(31)28-14-3-2-8-29(11-14)21(32)22(24)5-6-22/h4,7,9-10,12,14H,2-3,5-6,8,11,24H2,1H3,(H,28,31)(H2,23,26,27)/t14-/m1/s1
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n/an/a 2.5n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127327
PNG
(US8791257, 119)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)C(C)(C)O)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-2.11,-10.43,;-1.63,-8.96,;-.13,-8.64,;.35,-7.18,;1.86,-6.86,;2.89,-8,;2.41,-9.47,;.9,-9.79,;2.33,-5.39,;1.43,-4.15,;2.33,-2.9,;1.86,-1.44,;2.89,-.29,;.35,-1.12,;-.13,.35,;-1.63,.67,;-2.11,2.13,;-1.08,3.28,;.43,2.96,;.9,1.49,;-1.55,4.74,;-.52,5.89,;.98,5.57,;-1,7.35,;-1.48,8.82,;.46,7.83,;-2.46,6.88,;3.8,-3.38,;5.13,-2.61,;5.13,-1.07,;6.46,-3.38,;6.46,-4.92,;5.13,-5.69,;3.8,-4.92,)|
Show InChI InChI=1S/C23H29N7O4/c1-23(2,33)22(32)29-15-6-4-14(5-7-15)28-21(31)16-11-17(13-8-9-25-18(10-13)34-3)30-19(16)20(24)26-12-27-30/h8-12,14-15,33H,4-7H2,1-3H3,(H,28,31)(H,29,32)(H2,24,26,27)/t14-,15-
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n/an/a 2.70n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127319
PNG
(US8791257, 17)
Show SMILES CCOC(=O)NC1CCC(CC1)NC(=O)c1cc(-c2ccnc(OC)c2)n2ncnc(N)c12 |(3.3,-4.34,;4.79,-3.95,;5.19,-2.46,;4.1,-1.37,;2.61,-1.77,;4.5,.12,;3.41,1.21,;1.92,.81,;.83,1.9,;1.23,3.38,;2.72,3.78,;3.81,2.69,;.14,4.47,;-1.35,4.08,;-2.44,5.16,;-1.75,2.59,;-.84,1.34,;-1.75,.1,;-1.35,-1.39,;-2.44,-2.48,;-2.04,-3.97,;-.55,-4.37,;.54,-3.28,;2.03,-3.68,;2.43,-5.16,;.14,-1.79,;-3.21,.57,;-4.54,-.2,;-5.88,.57,;-5.88,2.11,;-4.54,2.88,;-4.54,4.42,;-3.21,2.11,)|
Show InChI InChI=1S/C22H27N7O4/c1-3-33-22(31)28-15-6-4-14(5-7-15)27-21(30)16-11-17(13-8-9-24-18(10-13)32-2)29-19(16)20(23)25-12-26-29/h8-12,14-15H,3-7H2,1-2H3,(H,27,30)(H,28,31)(H2,23,25,26)
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n/an/a 2.80n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127329
PNG
(US8791257, 126)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)NC[C@H]2CC[C@H](O)CC2)c2c(N)ncnn12 |wU:15.15,wD:18.19,(-5.12,-9.38,;-4.65,-7.92,;-3.14,-7.6,;-2.66,-6.13,;-1.16,-5.81,;-.13,-6.96,;-.6,-8.42,;-2.11,-8.74,;-.68,-4.35,;-1.59,-3.1,;-.68,-1.86,;-1.16,-.39,;-2.66,-.07,;-.13,.75,;-.6,2.22,;.43,3.36,;-.05,4.83,;.98,5.97,;2.49,5.65,;3.52,6.79,;2.96,4.18,;1.93,3.04,;.78,-2.33,;2.12,-1.56,;2.12,-.02,;3.45,-2.33,;3.45,-3.87,;2.12,-4.64,;.78,-3.87,)|
Show InChI InChI=1S/C20H24N6O3/c1-29-17-8-13(6-7-22-17)16-9-15(18-19(21)24-11-25-26(16)18)20(28)23-10-12-2-4-14(27)5-3-12/h6-9,11-12,14,27H,2-5,10H2,1H3,(H,23,28)(H2,21,24,25)/t12-,14-
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n/an/a 3.20n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127328
PNG
(US8791257, 125)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@@H]2CC[C@H](CO)CC2)c2c(N)ncnn12 |wU:17.18,14.14,(-3.38,-9.14,;-2.9,-7.68,;-1.39,-7.36,;-.92,-5.89,;.59,-5.57,;1.62,-6.72,;1.14,-8.18,;-.36,-8.5,;1.06,-4.11,;.16,-2.86,;1.06,-1.62,;.59,-.15,;1.62,.99,;-.92,.17,;-1.39,1.63,;-.36,2.78,;-.84,4.24,;-2.35,4.56,;-2.82,6.03,;-4.33,6.35,;-3.38,3.42,;-2.9,1.95,;2.53,-2.09,;3.86,-1.32,;3.86,.22,;5.2,-2.09,;5.2,-3.63,;3.86,-4.4,;2.53,-3.63,)|
Show InChI InChI=1S/C20H24N6O3/c1-29-17-8-13(6-7-22-17)16-9-15(18-19(21)23-11-24-26(16)18)20(28)25-14-4-2-12(10-27)3-5-14/h6-9,11-12,14,27H,2-5,10H2,1H3,(H,25,28)(H2,21,23,24)/t12-,14+
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n/an/a 3.40n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127325
PNG
(US8791257, 111)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)C2(CN)CC2)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-.99,-10.44,;-.51,-8.98,;.99,-8.66,;1.47,-7.19,;2.97,-6.87,;4.01,-8.02,;3.53,-9.48,;2.02,-9.8,;3.45,-5.41,;2.55,-4.16,;3.45,-2.92,;2.97,-1.45,;4.01,-.31,;1.47,-1.13,;.99,.33,;-.51,.65,;-.99,2.12,;.04,3.26,;1.55,2.94,;2.02,1.48,;-.43,4.73,;-1.94,5.05,;-2.97,3.9,;-2.42,6.51,;-3.63,5.56,;-5.06,6.14,;-2.76,8.01,;-1.29,7.56,;4.92,-3.39,;6.25,-2.62,;6.25,-1.08,;7.58,-3.39,;7.58,-4.93,;6.25,-5.7,;4.92,-4.93,)|
Show InChI InChI=1S/C24H30N8O3/c1-35-19-10-14(6-9-27-19)18-11-17(20-21(26)28-13-29-32(18)20)22(33)30-15-2-4-16(5-3-15)31-23(34)24(12-25)7-8-24/h6,9-11,13,15-16H,2-5,7-8,12,25H2,1H3,(H,30,33)(H,31,34)(H2,26,28,29)/t15-,16-
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n/an/a 3.60n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127330
PNG
(US8791257, 129)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)C(O)=O)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-3.74,-9.57,;-3.26,-8.1,;-1.75,-7.78,;-1.28,-6.32,;.23,-6,;1.26,-7.14,;.78,-8.61,;-.72,-8.93,;.71,-4.53,;-.2,-3.29,;.71,-2.04,;.23,-.58,;-1.28,-.26,;1.26,.57,;.78,2.03,;-.72,2.35,;-1.2,3.82,;-.17,4.96,;1.34,4.64,;1.81,3.18,;-.64,6.42,;-2.15,6.74,;.39,7.57,;2.17,-2.52,;3.5,-1.75,;3.5,-.21,;4.84,-2.52,;4.84,-4.06,;3.5,-4.83,;2.17,-4.06,)|
Show InChI InChI=1S/C20H22N6O4/c1-30-16-8-12(6-7-22-16)15-9-14(17-18(21)23-10-24-26(15)17)19(27)25-13-4-2-11(3-5-13)20(28)29/h6-11,13H,2-5H2,1H3,(H,25,27)(H,28,29)(H2,21,23,24)/t11-,13-
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n/an/a 3.60n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127333
PNG
(US8791257, 152)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)C(C)(C)CN2CCCC2)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-.94,-11.83,;-.47,-10.36,;1.04,-10.04,;1.52,-8.58,;3.02,-8.26,;4.05,-9.4,;3.58,-10.87,;2.07,-11.19,;3.5,-6.79,;2.59,-5.55,;3.5,-4.3,;3.02,-2.84,;4.05,-1.69,;1.52,-2.52,;1.04,-1.05,;-.47,-.73,;-.94,.73,;.09,1.88,;1.59,1.56,;2.07,.09,;-.39,3.34,;.64,4.49,;2.15,4.16,;.17,5.95,;1.63,6.43,;-1.3,5.47,;-.31,7.41,;.72,8.56,;.4,10.07,;1.73,10.84,;2.88,9.8,;2.25,8.4,;4.96,-4.78,;6.3,-4.01,;6.3,-2.47,;7.63,-4.78,;7.63,-6.32,;6.3,-7.09,;4.96,-6.32,)|
Show InChI InChI=1S/C28H38N8O3/c1-28(2,16-35-12-4-5-13-35)27(38)34-20-8-6-19(7-9-20)33-26(37)21-15-22(18-10-11-30-23(14-18)39-3)36-24(21)25(29)31-17-32-36/h10-11,14-15,17,19-20H,4-9,12-13,16H2,1-3H3,(H,33,37)(H,34,38)(H2,29,31,32)/t19-,20-
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n/an/a 3.70n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127332
PNG
(US8791257, 147)
Show SMILES CCN1CCCC1CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cc(-c2ccnc(OC)c2)n2ncnc(N)c12 |wU:14.18,wD:11.11,(-3.31,10.1,;-2.54,8.77,;-3.31,7.43,;-4.84,7.27,;-5.16,5.76,;-3.83,4.99,;-2.68,6.02,;-1.18,5.7,;-.7,4.24,;.81,3.92,;1.84,5.06,;1.28,2.46,;.25,1.31,;.73,-.15,;2.23,-.47,;3.26,.67,;2.79,2.13,;2.71,-1.94,;4.22,-2.26,;5.25,-1.11,;4.69,-3.72,;3.79,-4.97,;4.69,-6.22,;4.22,-7.68,;5.25,-8.82,;4.77,-10.29,;3.26,-10.61,;2.23,-9.46,;.73,-9.78,;.25,-11.25,;2.71,-8,;6.16,-5.74,;7.49,-6.51,;8.82,-5.74,;8.82,-4.2,;7.49,-3.43,;7.49,-1.89,;6.16,-4.2,)|
Show InChI InChI=1S/C27H36N8O3/c1-3-34-12-4-5-20(34)15-30-26(36)17-6-8-19(9-7-17)33-27(37)21-14-22(18-10-11-29-23(13-18)38-2)35-24(21)25(28)31-16-32-35/h10-11,13-14,16-17,19-20H,3-9,12,15H2,1-2H3,(H,30,36)(H,33,37)(H2,28,31,32)/t17-,19-,20?
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n/an/a 3.90n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127330
PNG
(US8791257, 129)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)C(O)=O)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-3.74,-9.57,;-3.26,-8.1,;-1.75,-7.78,;-1.28,-6.32,;.23,-6,;1.26,-7.14,;.78,-8.61,;-.72,-8.93,;.71,-4.53,;-.2,-3.29,;.71,-2.04,;.23,-.58,;-1.28,-.26,;1.26,.57,;.78,2.03,;-.72,2.35,;-1.2,3.82,;-.17,4.96,;1.34,4.64,;1.81,3.18,;-.64,6.42,;-2.15,6.74,;.39,7.57,;2.17,-2.52,;3.5,-1.75,;3.5,-.21,;4.84,-2.52,;4.84,-4.06,;3.5,-4.83,;2.17,-4.06,)|
Show InChI InChI=1S/C20H22N6O4/c1-30-16-8-12(6-7-22-16)15-9-14(17-18(21)23-10-24-26(15)17)19(27)25-13-4-2-11(3-5-13)20(28)29/h6-11,13H,2-5H2,1H3,(H,25,27)(H,28,29)(H2,21,23,24)/t11-,13-
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n/an/a 10n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127328
PNG
(US8791257, 125)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@@H]2CC[C@H](CO)CC2)c2c(N)ncnn12 |wU:17.18,14.14,(-3.38,-9.14,;-2.9,-7.68,;-1.39,-7.36,;-.92,-5.89,;.59,-5.57,;1.62,-6.72,;1.14,-8.18,;-.36,-8.5,;1.06,-4.11,;.16,-2.86,;1.06,-1.62,;.59,-.15,;1.62,.99,;-.92,.17,;-1.39,1.63,;-.36,2.78,;-.84,4.24,;-2.35,4.56,;-2.82,6.03,;-4.33,6.35,;-3.38,3.42,;-2.9,1.95,;2.53,-2.09,;3.86,-1.32,;3.86,.22,;5.2,-2.09,;5.2,-3.63,;3.86,-4.4,;2.53,-3.63,)|
Show InChI InChI=1S/C20H24N6O3/c1-29-17-8-13(6-7-22-17)16-9-15(18-19(21)23-11-24-26(16)18)20(28)25-14-4-2-12(10-27)3-5-14/h6-9,11-12,14,27H,2-5,10H2,1H3,(H,25,28)(H2,21,23,24)/t12-,14+
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n/an/a 10n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127327
PNG
(US8791257, 119)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)C(C)(C)O)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-2.11,-10.43,;-1.63,-8.96,;-.13,-8.64,;.35,-7.18,;1.86,-6.86,;2.89,-8,;2.41,-9.47,;.9,-9.79,;2.33,-5.39,;1.43,-4.15,;2.33,-2.9,;1.86,-1.44,;2.89,-.29,;.35,-1.12,;-.13,.35,;-1.63,.67,;-2.11,2.13,;-1.08,3.28,;.43,2.96,;.9,1.49,;-1.55,4.74,;-.52,5.89,;.98,5.57,;-1,7.35,;-1.48,8.82,;.46,7.83,;-2.46,6.88,;3.8,-3.38,;5.13,-2.61,;5.13,-1.07,;6.46,-3.38,;6.46,-4.92,;5.13,-5.69,;3.8,-4.92,)|
Show InChI InChI=1S/C23H29N7O4/c1-23(2,33)22(32)29-15-6-4-14(5-7-15)28-21(31)16-11-17(13-8-9-25-18(10-13)34-3)30-19(16)20(24)26-12-27-30/h8-12,14-15,33H,4-7H2,1-3H3,(H,28,31)(H,29,32)(H2,24,26,27)/t14-,15-
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n/an/a 10n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127332
PNG
(US8791257, 147)
Show SMILES CCN1CCCC1CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cc(-c2ccnc(OC)c2)n2ncnc(N)c12 |wU:14.18,wD:11.11,(-3.31,10.1,;-2.54,8.77,;-3.31,7.43,;-4.84,7.27,;-5.16,5.76,;-3.83,4.99,;-2.68,6.02,;-1.18,5.7,;-.7,4.24,;.81,3.92,;1.84,5.06,;1.28,2.46,;.25,1.31,;.73,-.15,;2.23,-.47,;3.26,.67,;2.79,2.13,;2.71,-1.94,;4.22,-2.26,;5.25,-1.11,;4.69,-3.72,;3.79,-4.97,;4.69,-6.22,;4.22,-7.68,;5.25,-8.82,;4.77,-10.29,;3.26,-10.61,;2.23,-9.46,;.73,-9.78,;.25,-11.25,;2.71,-8,;6.16,-5.74,;7.49,-6.51,;8.82,-5.74,;8.82,-4.2,;7.49,-3.43,;7.49,-1.89,;6.16,-4.2,)|
Show InChI InChI=1S/C27H36N8O3/c1-3-34-12-4-5-20(34)15-30-26(36)17-6-8-19(9-7-17)33-27(37)21-14-22(18-10-11-29-23(13-18)38-2)35-24(21)25(28)31-16-32-35/h10-11,13-14,16-17,19-20H,3-9,12,15H2,1-2H3,(H,30,36)(H,33,37)(H2,28,31,32)/t17-,19-,20?
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n/an/a 10n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127329
PNG
(US8791257, 126)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)NC[C@H]2CC[C@H](O)CC2)c2c(N)ncnn12 |wU:15.15,wD:18.19,(-5.12,-9.38,;-4.65,-7.92,;-3.14,-7.6,;-2.66,-6.13,;-1.16,-5.81,;-.13,-6.96,;-.6,-8.42,;-2.11,-8.74,;-.68,-4.35,;-1.59,-3.1,;-.68,-1.86,;-1.16,-.39,;-2.66,-.07,;-.13,.75,;-.6,2.22,;.43,3.36,;-.05,4.83,;.98,5.97,;2.49,5.65,;3.52,6.79,;2.96,4.18,;1.93,3.04,;.78,-2.33,;2.12,-1.56,;2.12,-.02,;3.45,-2.33,;3.45,-3.87,;2.12,-4.64,;.78,-3.87,)|
Show InChI InChI=1S/C20H24N6O3/c1-29-17-8-13(6-7-22-17)16-9-15(18-19(21)24-11-25-26(16)18)20(28)23-10-12-2-4-14(27)5-3-12/h6-9,11-12,14,27H,2-5,10H2,1H3,(H,23,28)(H2,21,24,25)/t12-,14-
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n/an/a 20n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127333
PNG
(US8791257, 152)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)C(C)(C)CN2CCCC2)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-.94,-11.83,;-.47,-10.36,;1.04,-10.04,;1.52,-8.58,;3.02,-8.26,;4.05,-9.4,;3.58,-10.87,;2.07,-11.19,;3.5,-6.79,;2.59,-5.55,;3.5,-4.3,;3.02,-2.84,;4.05,-1.69,;1.52,-2.52,;1.04,-1.05,;-.47,-.73,;-.94,.73,;.09,1.88,;1.59,1.56,;2.07,.09,;-.39,3.34,;.64,4.49,;2.15,4.16,;.17,5.95,;1.63,6.43,;-1.3,5.47,;-.31,7.41,;.72,8.56,;.4,10.07,;1.73,10.84,;2.88,9.8,;2.25,8.4,;4.96,-4.78,;6.3,-4.01,;6.3,-2.47,;7.63,-4.78,;7.63,-6.32,;6.3,-7.09,;4.96,-6.32,)|
Show InChI InChI=1S/C28H38N8O3/c1-28(2,16-35-12-4-5-13-35)27(38)34-20-8-6-19(7-9-20)33-26(37)21-15-22(18-10-11-30-23(14-18)39-3)36-24(21)25(29)31-17-32-36/h10-11,14-15,17,19-20H,4-9,12-13,16H2,1-3H3,(H,33,37)(H,34,38)(H2,29,31,32)/t19-,20-
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n/an/a 20n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127319
PNG
(US8791257, 17)
Show SMILES CCOC(=O)NC1CCC(CC1)NC(=O)c1cc(-c2ccnc(OC)c2)n2ncnc(N)c12 |(3.3,-4.34,;4.79,-3.95,;5.19,-2.46,;4.1,-1.37,;2.61,-1.77,;4.5,.12,;3.41,1.21,;1.92,.81,;.83,1.9,;1.23,3.38,;2.72,3.78,;3.81,2.69,;.14,4.47,;-1.35,4.08,;-2.44,5.16,;-1.75,2.59,;-.84,1.34,;-1.75,.1,;-1.35,-1.39,;-2.44,-2.48,;-2.04,-3.97,;-.55,-4.37,;.54,-3.28,;2.03,-3.68,;2.43,-5.16,;.14,-1.79,;-3.21,.57,;-4.54,-.2,;-5.88,.57,;-5.88,2.11,;-4.54,2.88,;-4.54,4.42,;-3.21,2.11,)|
Show InChI InChI=1S/C22H27N7O4/c1-3-33-22(31)28-15-6-4-14(5-7-15)27-21(30)16-11-17(13-8-9-24-18(10-13)32-2)29-19(16)20(23)25-12-26-29/h8-12,14-15H,3-7H2,1-2H3,(H,27,30)(H,28,31)(H2,23,25,26)
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n/an/a 20n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127325
PNG
(US8791257, 111)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)C2(CN)CC2)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-.99,-10.44,;-.51,-8.98,;.99,-8.66,;1.47,-7.19,;2.97,-6.87,;4.01,-8.02,;3.53,-9.48,;2.02,-9.8,;3.45,-5.41,;2.55,-4.16,;3.45,-2.92,;2.97,-1.45,;4.01,-.31,;1.47,-1.13,;.99,.33,;-.51,.65,;-.99,2.12,;.04,3.26,;1.55,2.94,;2.02,1.48,;-.43,4.73,;-1.94,5.05,;-2.97,3.9,;-2.42,6.51,;-3.63,5.56,;-5.06,6.14,;-2.76,8.01,;-1.29,7.56,;4.92,-3.39,;6.25,-2.62,;6.25,-1.08,;7.58,-3.39,;7.58,-4.93,;6.25,-5.7,;4.92,-4.93,)|
Show InChI InChI=1S/C24H30N8O3/c1-35-19-10-14(6-9-27-19)18-11-17(20-21(26)28-13-29-32(18)20)22(33)30-15-2-4-16(5-3-15)31-23(34)24(12-25)7-8-24/h6,9-11,13,15-16H,2-5,7-8,12,25H2,1H3,(H,30,33)(H,31,34)(H2,26,28,29)/t15-,16-
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n/an/a 20n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127331
PNG
(US8791257, 138)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CCOC2)c2c(N)ncnn12
Show InChI InChI=1S/C17H18N6O3/c1-25-14-6-10(2-4-19-14)13-7-12(15-16(18)20-9-21-23(13)15)17(24)22-11-3-5-26-8-11/h2,4,6-7,9,11H,3,5,8H2,1H3,(H,22,24)(H2,18,20,21)/t11-/m0/s1
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n/an/a 30n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127326
PNG
(US8791257, 118)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@@H]2CCCN(C2)C(=O)C2(N)CC2)c2c(N)ncnn12
Show InChI InChI=1S/C22H26N8O3/c1-33-17-9-13(4-7-25-17)16-10-15(18-19(23)26-12-27-30(16)18)20(31)28-14-3-2-8-29(11-14)21(32)22(24)5-6-22/h4,7,9-10,12,14H,2-3,5-6,8,11,24H2,1H3,(H,28,31)(H2,23,26,27)/t14-/m1/s1
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n/an/a 40n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127322
PNG
(US8791257, 36)
Show SMILES CC(=O)NC1CCC(CC1)NC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12 |(.96,8.48,;-.55,8.8,;-1.02,10.26,;-1.58,7.65,;-1.1,6.19,;-2.13,5.05,;-1.66,3.58,;-.15,3.26,;.88,4.41,;.41,5.87,;.33,1.8,;1.83,1.48,;2.86,2.62,;2.31,.01,;1.4,-1.23,;2.31,-2.48,;1.83,-3.95,;.33,-4.27,;-.15,-5.73,;.88,-6.87,;2.39,-6.55,;2.86,-5.09,;3.77,-2,;5.11,-2.77,;6.44,-2,;6.44,-.46,;5.11,.31,;5.11,1.85,;3.77,-.46,)|
Show InChI InChI=1S/C20H23N7O2/c1-12(28)25-14-2-4-15(5-3-14)26-20(29)16-10-17(13-6-8-22-9-7-13)27-18(16)19(21)23-11-24-27/h6-11,14-15H,2-5H2,1H3,(H,25,28)(H,26,29)(H2,21,23,24)
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n/an/a 50n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127318
PNG
(US8791257, 4)
Show SMILES Nc1ncnn2c(cc(C(=O)N[C@H]3CC[C@H](O)CC3)c12)-c1ccnc(F)c1 |r,wU:12.11,wD:15.15,(-3.89,4.03,;-3.89,2.49,;-5.23,1.72,;-5.23,.18,;-3.89,-.59,;-2.56,.18,;-1.09,-.29,;-.19,.95,;-1.09,2.2,;-.62,3.67,;-1.71,4.75,;.87,4.06,;1.96,2.97,;3.45,3.37,;4.54,2.28,;4.14,.8,;5.23,-.29,;2.65,.4,;1.56,1.49,;-2.56,1.72,;-.69,-1.78,;-1.78,-2.87,;-1.39,-4.36,;.1,-4.75,;1.19,-3.67,;2.68,-4.06,;.79,-2.18,)|
Show InChI InChI=1S/C18H19FN6O2/c19-15-7-10(5-6-21-15)14-8-13(16-17(20)22-9-23-25(14)16)18(27)24-11-1-3-12(26)4-2-11/h5-9,11-12,26H,1-4H2,(H,24,27)(H2,20,22,23)/t11-,12-
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127347
PNG
(US8791257, 50)
Show SMILES Nc1ncnn2c(cc(C(=O)NCCc3ccccn3)c12)-c1ccncc1
Show InChI InChI=1S/C19H17N7O/c20-18-17-15(19(27)23-10-6-14-3-1-2-7-22-14)11-16(26(17)25-12-24-18)13-4-8-21-9-5-13/h1-5,7-9,11-12H,6,10H2,(H,23,27)(H2,20,24,25)
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n/an/a 50n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127334
PNG
(US8791257, 172)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)OCC(C)(C)C)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-2.29,-10.26,;-1.81,-8.79,;-.31,-8.47,;.17,-7.01,;1.67,-6.69,;2.71,-7.83,;2.23,-9.3,;.72,-9.62,;2.15,-5.22,;1.25,-3.98,;2.15,-2.73,;1.67,-1.27,;2.71,-.12,;.17,-.95,;-.31,.52,;-1.81,.84,;-2.29,2.3,;-1.26,3.45,;.25,3.13,;.72,1.66,;-1.73,4.91,;-.7,6.06,;-1.18,7.52,;-1.66,8.98,;.28,8,;-2.64,7.04,;3.62,-3.21,;4.95,-2.44,;4.95,-.9,;6.28,-3.21,;6.28,-4.75,;4.95,-5.52,;3.62,-4.75,)|
Show InChI InChI=1S/C24H32N6O3/c1-24(2,3)13-33-17-7-5-16(6-8-17)29-23(31)18-12-19(15-9-10-26-20(11-15)32-4)30-21(18)22(25)27-14-28-30/h9-12,14,16-17H,5-8,13H2,1-4H3,(H,29,31)(H2,25,27,28)/t16-,17-
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127345
PNG
(US8791257, 42)
Show SMILES Nc1ncnn2c(cc(C(=O)N[C@@H]3CC[C@H](O)CC3)c12)-c1ccncc1 |wU:15.15,12.11,(3.54,.34,;3.54,-1.2,;4.88,-1.97,;4.88,-3.51,;3.54,-4.28,;2.21,-3.51,;.75,-3.98,;-.16,-2.74,;.75,-1.49,;.27,-.03,;1.3,1.12,;-1.24,.29,;-1.71,1.76,;-.68,2.9,;-1.16,4.37,;-2.66,4.69,;-3.14,6.15,;-3.69,3.54,;-3.22,2.08,;2.21,-1.97,;.27,-5.45,;-1.24,-5.77,;-1.71,-7.23,;-.68,-8.38,;.82,-8.06,;1.3,-6.59,)|
Show InChI InChI=1S/C18H20N6O2/c19-17-16-14(18(26)23-12-1-3-13(25)4-2-12)9-15(24(16)22-10-21-17)11-5-7-20-8-6-11/h5-10,12-13,25H,1-4H2,(H,23,26)(H2,19,21,22)/t12-,13+
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n/an/a 50n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127335
PNG
(US8791257, 184)
Show SMILES CC1CCN(CC1)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
Show InChI InChI=1S/C18H20N6O/c1-12-4-8-23(9-5-12)18(25)14-10-15(13-2-6-20-7-3-13)24-16(14)17(19)21-11-22-24/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H2,19,21,22)
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n/an/a 50n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127324
PNG
(US8791257, 94)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)CC(C)(C)O)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-1.05,-10.45,;-.58,-8.99,;.93,-8.67,;1.41,-7.2,;2.91,-6.88,;3.94,-8.03,;3.47,-9.49,;1.96,-9.81,;3.39,-5.42,;2.48,-4.17,;3.39,-2.93,;2.91,-1.46,;3.94,-.32,;1.41,-1.14,;.93,.32,;-.58,.64,;-1.05,2.11,;-.02,3.25,;1.49,2.93,;1.96,1.47,;-.5,4.72,;-2,5.04,;-3.03,3.89,;-2.48,6.5,;-3.99,6.82,;-5.49,7.14,;-3.67,8.33,;-4.31,5.32,;4.85,-3.4,;6.19,-2.63,;6.19,-1.09,;7.52,-3.4,;7.52,-4.94,;6.19,-5.71,;4.85,-4.94,)|
Show InChI InChI=1S/C24H31N7O4/c1-24(2,34)12-19(32)29-15-4-6-16(7-5-15)30-23(33)17-11-18(14-8-9-26-20(10-14)35-3)31-21(17)22(25)27-13-28-31/h8-11,13,15-16,34H,4-7,12H2,1-3H3,(H,29,32)(H,30,33)(H2,25,27,28)/t15-,16-
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n/an/a 50n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127324
PNG
(US8791257, 94)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)CC(C)(C)O)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-1.05,-10.45,;-.58,-8.99,;.93,-8.67,;1.41,-7.2,;2.91,-6.88,;3.94,-8.03,;3.47,-9.49,;1.96,-9.81,;3.39,-5.42,;2.48,-4.17,;3.39,-2.93,;2.91,-1.46,;3.94,-.32,;1.41,-1.14,;.93,.32,;-.58,.64,;-1.05,2.11,;-.02,3.25,;1.49,2.93,;1.96,1.47,;-.5,4.72,;-2,5.04,;-3.03,3.89,;-2.48,6.5,;-3.99,6.82,;-5.49,7.14,;-3.67,8.33,;-4.31,5.32,;4.85,-3.4,;6.19,-2.63,;6.19,-1.09,;7.52,-3.4,;7.52,-4.94,;6.19,-5.71,;4.85,-4.94,)|
Show InChI InChI=1S/C24H31N7O4/c1-24(2,34)12-19(32)29-15-4-6-16(7-5-15)30-23(33)17-11-18(14-8-9-26-20(10-14)35-3)31-21(17)22(25)27-13-28-31/h8-11,13,15-16,34H,4-7,12H2,1-3H3,(H,29,32)(H,30,33)(H2,25,27,28)/t15-,16-
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n/an/a 60n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127323
PNG
(US8791257, 51)
Show SMILES Nc1ncnn2c(cc(C(=O)NC3CCOCC3)c12)-c1ccncc1
Show InChI InChI=1S/C17H18N6O2/c18-16-15-13(17(24)22-12-3-7-25-8-4-12)9-14(23(15)21-10-20-16)11-1-5-19-6-2-11/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,22,24)(H2,18,20,21)
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n/an/a 60n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127346
PNG
(US8791257, 28)
Show SMILES CC(C)(C)OC(=O)NCCCCCNC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
Show InChI InChI=1S/C22H29N7O3/c1-22(2,3)32-21(31)26-10-6-4-5-9-25-20(30)16-13-17(15-7-11-24-12-8-15)29-18(16)19(23)27-14-28-29/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,25,30)(H,26,31)(H2,23,27,28)
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n/an/a 60n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127320
PNG
(US8791257, 38)
Show SMILES CCOC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12 |wU:6.5,wD:9.12,(4.88,11.7,;5.35,10.24,;4.32,9.09,;4.8,7.63,;6.31,7.31,;3.77,6.48,;4.24,5.02,;5.75,4.7,;6.23,3.23,;5.2,2.09,;3.69,2.41,;3.21,3.87,;5.67,.62,;4.64,-.52,;3.14,-.2,;5.12,-1.99,;4.21,-3.23,;5.12,-4.48,;4.64,-5.94,;3.14,-6.26,;2.66,-7.73,;3.69,-8.87,;5.2,-8.55,;5.67,-7.09,;6.58,-4,;7.92,-4.77,;9.25,-4,;9.25,-2.46,;7.92,-1.69,;7.92,-.15,;6.58,-2.46,)|
Show InChI InChI=1S/C21H25N7O3/c1-2-31-21(30)27-15-5-3-14(4-6-15)26-20(29)16-11-17(13-7-9-23-10-8-13)28-18(16)19(22)24-12-25-28/h7-12,14-15H,2-6H2,1H3,(H,26,29)(H,27,30)(H2,22,24,25)/t14-,15-
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n/an/a 70n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127318
PNG
(US8791257, 4)
Show SMILES Nc1ncnn2c(cc(C(=O)N[C@H]3CC[C@H](O)CC3)c12)-c1ccnc(F)c1 |r,wU:12.11,wD:15.15,(-3.89,4.03,;-3.89,2.49,;-5.23,1.72,;-5.23,.18,;-3.89,-.59,;-2.56,.18,;-1.09,-.29,;-.19,.95,;-1.09,2.2,;-.62,3.67,;-1.71,4.75,;.87,4.06,;1.96,2.97,;3.45,3.37,;4.54,2.28,;4.14,.8,;5.23,-.29,;2.65,.4,;1.56,1.49,;-2.56,1.72,;-.69,-1.78,;-1.78,-2.87,;-1.39,-4.36,;.1,-4.75,;1.19,-3.67,;2.68,-4.06,;.79,-2.18,)|
Show InChI InChI=1S/C18H19FN6O2/c19-15-7-10(5-6-21-15)14-8-13(16-17(20)22-9-23-25(14)16)18(27)24-11-1-3-12(26)4-2-11/h5-9,11-12,26H,1-4H2,(H,24,27)(H2,20,22,23)/t11-,12-
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n/an/a 110n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127334
PNG
(US8791257, 172)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)OCC(C)(C)C)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-2.29,-10.26,;-1.81,-8.79,;-.31,-8.47,;.17,-7.01,;1.67,-6.69,;2.71,-7.83,;2.23,-9.3,;.72,-9.62,;2.15,-5.22,;1.25,-3.98,;2.15,-2.73,;1.67,-1.27,;2.71,-.12,;.17,-.95,;-.31,.52,;-1.81,.84,;-2.29,2.3,;-1.26,3.45,;.25,3.13,;.72,1.66,;-1.73,4.91,;-.7,6.06,;-1.18,7.52,;-1.66,8.98,;.28,8,;-2.64,7.04,;3.62,-3.21,;4.95,-2.44,;4.95,-.9,;6.28,-3.21,;6.28,-4.75,;4.95,-5.52,;3.62,-4.75,)|
Show InChI InChI=1S/C24H32N6O3/c1-24(2,3)13-33-17-7-5-16(6-8-17)29-23(31)18-12-19(15-9-10-26-20(11-15)32-4)30-21(18)22(25)27-14-28-30/h9-12,14,16-17H,5-8,13H2,1-4H3,(H,29,31)(H2,25,27,28)/t16-,17-
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n/an/a 150n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127347
PNG
(US8791257, 50)
Show SMILES Nc1ncnn2c(cc(C(=O)NCCc3ccccn3)c12)-c1ccncc1
Show InChI InChI=1S/C19H17N7O/c20-18-17-15(19(27)23-10-6-14-3-1-2-7-22-14)11-16(26(17)25-12-24-18)13-4-8-21-9-5-13/h1-5,7-9,11-12H,6,10H2,(H,23,27)(H2,20,24,25)
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n/an/a 150n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127323
PNG
(US8791257, 51)
Show SMILES Nc1ncnn2c(cc(C(=O)NC3CCOCC3)c12)-c1ccncc1
Show InChI InChI=1S/C17H18N6O2/c18-16-15-13(17(24)22-12-3-7-25-8-4-12)9-14(23(15)21-10-20-16)11-1-5-19-6-2-11/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,22,24)(H2,18,20,21)
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n/an/a 170n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127322
PNG
(US8791257, 36)
Show SMILES CC(=O)NC1CCC(CC1)NC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12 |(.96,8.48,;-.55,8.8,;-1.02,10.26,;-1.58,7.65,;-1.1,6.19,;-2.13,5.05,;-1.66,3.58,;-.15,3.26,;.88,4.41,;.41,5.87,;.33,1.8,;1.83,1.48,;2.86,2.62,;2.31,.01,;1.4,-1.23,;2.31,-2.48,;1.83,-3.95,;.33,-4.27,;-.15,-5.73,;.88,-6.87,;2.39,-6.55,;2.86,-5.09,;3.77,-2,;5.11,-2.77,;6.44,-2,;6.44,-.46,;5.11,.31,;5.11,1.85,;3.77,-.46,)|
Show InChI InChI=1S/C20H23N7O2/c1-12(28)25-14-2-4-15(5-3-14)26-20(29)16-10-17(13-6-8-22-9-7-13)27-18(16)19(21)23-11-24-27/h6-11,14-15H,2-5H2,1H3,(H,25,28)(H,26,29)(H2,21,23,24)
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n/an/a 170n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127320
PNG
(US8791257, 38)
Show SMILES CCOC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12 |wU:6.5,wD:9.12,(4.88,11.7,;5.35,10.24,;4.32,9.09,;4.8,7.63,;6.31,7.31,;3.77,6.48,;4.24,5.02,;5.75,4.7,;6.23,3.23,;5.2,2.09,;3.69,2.41,;3.21,3.87,;5.67,.62,;4.64,-.52,;3.14,-.2,;5.12,-1.99,;4.21,-3.23,;5.12,-4.48,;4.64,-5.94,;3.14,-6.26,;2.66,-7.73,;3.69,-8.87,;5.2,-8.55,;5.67,-7.09,;6.58,-4,;7.92,-4.77,;9.25,-4,;9.25,-2.46,;7.92,-1.69,;7.92,-.15,;6.58,-2.46,)|
Show InChI InChI=1S/C21H25N7O3/c1-2-31-21(30)27-15-5-3-14(4-6-15)26-20(29)16-11-17(13-7-9-23-10-8-13)28-18(16)19(22)24-12-25-28/h7-12,14-15H,2-6H2,1H3,(H,26,29)(H,27,30)(H2,22,24,25)/t14-,15-
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n/an/a 190n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127345
PNG
(US8791257, 42)
Show SMILES Nc1ncnn2c(cc(C(=O)N[C@@H]3CC[C@H](O)CC3)c12)-c1ccncc1 |wU:15.15,12.11,(3.54,.34,;3.54,-1.2,;4.88,-1.97,;4.88,-3.51,;3.54,-4.28,;2.21,-3.51,;.75,-3.98,;-.16,-2.74,;.75,-1.49,;.27,-.03,;1.3,1.12,;-1.24,.29,;-1.71,1.76,;-.68,2.9,;-1.16,4.37,;-2.66,4.69,;-3.14,6.15,;-3.69,3.54,;-3.22,2.08,;2.21,-1.97,;.27,-5.45,;-1.24,-5.77,;-1.71,-7.23,;-.68,-8.38,;.82,-8.06,;1.3,-6.59,)|
Show InChI InChI=1S/C18H20N6O2/c19-17-16-14(18(26)23-12-1-3-13(25)4-2-12)9-15(24(16)22-10-21-17)11-5-7-20-8-6-11/h5-10,12-13,25H,1-4H2,(H,23,26)(H2,19,21,22)/t12-,13+
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n/an/a 290n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127344
PNG
(US8791257, 200)
Show SMILES NC1CCC(CC1)NC(=O)c1cc(-c2ccnc(CCO)c2)n2ncnc(N)c12 |(-1.43,9.34,;-.96,7.88,;-1.99,6.73,;-1.51,5.27,;-.01,4.95,;1.02,6.09,;.55,7.56,;.47,3.48,;1.98,3.16,;3.01,4.31,;2.45,1.7,;1.55,.45,;2.45,-.79,;1.98,-2.26,;3.01,-3.4,;2.53,-4.87,;1.02,-5.19,;-.01,-4.04,;-1.51,-4.36,;-1.99,-5.83,;-3.49,-6.15,;.47,-2.58,;3.92,-.32,;5.25,-1.09,;6.58,-.32,;6.58,1.22,;5.25,1.99,;5.25,3.53,;3.92,1.22,)|
Show InChI InChI=1S/C20H25N7O2/c21-13-1-3-14(4-2-13)26-20(29)16-10-17(27-18(16)19(22)24-11-25-27)12-5-7-23-15(9-12)6-8-28/h5,7,9-11,13-14,28H,1-4,6,8,21H2,(H,26,29)(H2,22,24,25)
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n/an/a 330n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127346
PNG
(US8791257, 28)
Show SMILES CC(C)(C)OC(=O)NCCCCCNC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
Show InChI InChI=1S/C22H29N7O3/c1-22(2,3)32-21(31)26-10-6-4-5-9-25-20(30)16-13-17(15-7-11-24-12-8-15)29-18(16)19(23)27-14-28-29/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,25,30)(H,26,31)(H2,23,27,28)
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n/an/a 340n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127321
PNG
(US8791257, 26)
Show SMILES CNCCCNC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
Show InChI InChI=1S/C16H19N7O/c1-18-5-2-6-20-16(24)12-9-13(11-3-7-19-8-4-11)23-14(12)15(17)21-10-22-23/h3-4,7-10,18H,2,5-6H2,1H3,(H,20,24)(H2,17,21,22)
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n/an/a 380n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127335
PNG
(US8791257, 184)
Show SMILES CC1CCN(CC1)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
Show InChI InChI=1S/C18H20N6O/c1-12-4-8-23(9-5-12)18(25)14-10-15(13-2-6-20-7-3-13)24-16(14)17(19)21-11-22-24/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H2,19,21,22)
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n/an/a 440n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127337
PNG
(US8791257, 188)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N2CCC(O)CC2)c2c(N)ncnn12
Show InChI InChI=1S/C18H20N6O3/c1-27-15-8-11(2-5-20-15)14-9-13(16-17(19)21-10-22-24(14)16)18(26)23-6-3-12(25)4-7-23/h2,5,8-10,12,25H,3-4,6-7H2,1H3,(H2,19,21,22)
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n/an/a 560n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127336
PNG
(US8791257, 187)
Show SMILES CC(C)(C)C(OC(N)=O)C1CCN(C1)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
Show InChI InChI=1S/C22H27N7O3/c1-22(2,3)18(32-21(24)31)14-6-9-28(11-14)20(30)15-10-16(13-4-7-25-8-5-13)29-17(15)19(23)26-12-27-29/h4-5,7-8,10,12,14,18H,6,9,11H2,1-3H3,(H2,24,31)(H2,23,26,27)
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n/an/a 560n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127338
PNG
(US8791257, 189)
Show SMILES NCC1CCCN(C1)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
Show InChI InChI=1S/C18H21N7O/c19-9-12-2-1-7-24(10-12)18(26)14-8-15(13-3-5-21-6-4-13)25-16(14)17(20)22-11-23-25/h3-6,8,11-12H,1-2,7,9-10,19H2,(H2,20,22,23)
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n/an/a 670n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127343
PNG
(US8791257, 199)
Show SMILES CC(C)Oc1cc(ccn1)-c1cc(C(=O)NC2CCC(N)CC2)c2c(N)ncnn12 |(-3.33,-5.79,;-1.82,-5.47,;-.79,-6.61,;-1.35,-4,;.16,-3.68,;.63,-2.22,;2.14,-1.9,;3.17,-3.04,;2.7,-4.51,;1.19,-4.83,;2.62,-.43,;1.71,.81,;2.62,2.06,;2.14,3.52,;3.17,4.67,;.63,3.84,;.16,5.31,;-1.35,5.63,;-1.82,7.09,;-.79,8.24,;-1.27,9.7,;.71,7.92,;1.19,6.45,;4.08,1.58,;5.42,2.35,;5.42,3.89,;6.75,1.58,;6.75,.04,;5.42,-.73,;4.08,.04,)|
Show InChI InChI=1S/C21H27N7O2/c1-12(2)30-18-9-13(7-8-24-18)17-10-16(19-20(23)25-11-26-28(17)19)21(29)27-15-5-3-14(22)4-6-15/h7-12,14-15H,3-6,22H2,1-2H3,(H,27,29)(H2,23,25,26)
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n/an/a 700n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127339
PNG
(US8791257, 190)
Show SMILES CC(C)(C)N(CC1CCN(CC1)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12)C([O-])=O
Show InChI InChI=1S/C23H29N7O3/c1-23(2,3)29(22(32)33)13-15-6-10-28(11-7-15)21(31)17-12-18(16-4-8-25-9-5-16)30-19(17)20(24)26-14-27-30/h4-5,8-9,12,14-15H,6-7,10-11,13H2,1-3H3,(H,32,33)(H2,24,26,27)/p-1
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n/an/a 750n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127341
PNG
(US8791257, 196)
Show SMILES COc1cc(ccc1C(N)=O)-c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c2c(N)ncnn12 |wU:17.17,wD:20.21,(1.37,-7.38,;1.84,-5.92,;.81,-4.77,;1.29,-3.31,;.26,-2.16,;-1.25,-2.48,;-1.73,-3.95,;-.69,-5.09,;-1.17,-6.56,;-2.68,-6.88,;-.14,-7.7,;.73,-.7,;-.17,.55,;.73,1.79,;.26,3.26,;-1.25,3.58,;1.29,4.4,;.81,5.87,;-.69,6.19,;-1.17,7.65,;-.14,8.8,;-.62,10.26,;1.37,8.48,;1.84,7.01,;2.2,1.32,;3.53,2.09,;3.53,3.63,;4.86,1.32,;4.86,-.22,;3.53,-.99,;2.2,-.22,)|
Show InChI InChI=1S/C21H24N6O4/c1-31-17-8-11(2-7-14(17)20(23)29)16-9-15(18-19(22)24-10-25-27(16)18)21(30)26-12-3-5-13(28)6-4-12/h2,7-10,12-13,28H,3-6H2,1H3,(H2,23,29)(H,26,30)(H2,22,24,25)/t12-,13-
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n/an/a 790n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127340
PNG
(US8791257, 191)
Show SMILES CN(CCCN)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
Show InChI InChI=1S/C16H19N7O/c1-22(8-2-5-17)16(24)12-9-13(11-3-6-19-7-4-11)23-14(12)15(18)20-10-21-23/h3-4,6-7,9-10H,2,5,8,17H2,1H3,(H2,18,20,21)
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n/an/a 810n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM127342
PNG
(US8791257, 197)
Show SMILES NC(=O)c1cccc(c1)-c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c2c(N)ncnn12 |wU:15.15,wD:18.19,(1.21,-8.13,;1.68,-6.67,;3.19,-6.34,;.65,-5.52,;-.86,-5.84,;-1.89,-4.7,;-1.41,-3.23,;.1,-2.91,;1.13,-4.06,;.57,-1.45,;-.33,-.2,;.57,1.04,;.1,2.51,;-1.41,2.83,;1.13,3.65,;.65,5.12,;-.86,5.44,;-1.33,6.9,;-.3,8.05,;-.78,9.51,;1.21,7.73,;1.68,6.26,;2.04,.57,;3.37,1.34,;3.37,2.88,;4.7,.57,;4.7,-.97,;3.37,-1.74,;2.04,-.97,)|
Show InChI InChI=1S/C20H22N6O3/c21-18-17-15(20(29)25-13-4-6-14(27)7-5-13)9-16(26(17)24-10-23-18)11-2-1-3-12(8-11)19(22)28/h1-3,8-10,13-14,27H,4-7H2,(H2,22,28)(H,25,29)(H2,21,23,24)/t13-,14-
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n/an/a 1.00E+3n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127337
PNG
(US8791257, 188)
Show SMILES COc1cc(ccn1)-c1cc(C(=O)N2CCC(O)CC2)c2c(N)ncnn12
Show InChI InChI=1S/C18H20N6O3/c1-27-15-8-11(2-5-20-15)14-9-13(16-17(19)21-10-22-24(14)16)18(26)23-6-3-12(25)4-7-23/h2,5,8-10,12,25H,3-4,6-7H2,1H3,(H2,19,21,22)
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n/an/a 1.70E+3n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127344
PNG
(US8791257, 200)
Show SMILES NC1CCC(CC1)NC(=O)c1cc(-c2ccnc(CCO)c2)n2ncnc(N)c12 |(-1.43,9.34,;-.96,7.88,;-1.99,6.73,;-1.51,5.27,;-.01,4.95,;1.02,6.09,;.55,7.56,;.47,3.48,;1.98,3.16,;3.01,4.31,;2.45,1.7,;1.55,.45,;2.45,-.79,;1.98,-2.26,;3.01,-3.4,;2.53,-4.87,;1.02,-5.19,;-.01,-4.04,;-1.51,-4.36,;-1.99,-5.83,;-3.49,-6.15,;.47,-2.58,;3.92,-.32,;5.25,-1.09,;6.58,-.32,;6.58,1.22,;5.25,1.99,;5.25,3.53,;3.92,1.22,)|
Show InChI InChI=1S/C20H25N7O2/c21-13-1-3-14(4-2-13)26-20(29)16-10-17(27-18(16)19(22)24-11-25-27)12-5-7-23-15(9-12)6-8-28/h5,7,9-11,13-14,28H,1-4,6,8,21H2,(H,26,29)(H2,22,24,25)
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n/an/a 2.10E+3n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127336
PNG
(US8791257, 187)
Show SMILES CC(C)(C)C(OC(N)=O)C1CCN(C1)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
Show InChI InChI=1S/C22H27N7O3/c1-22(2,3)18(32-21(24)31)14-6-9-28(11-14)20(30)15-10-16(13-4-7-25-8-5-13)29-17(15)19(23)26-12-27-29/h4-5,7-8,10,12,14,18H,6,9,11H2,1-3H3,(H2,24,31)(H2,23,26,27)
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n/an/a 2.20E+3n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127341
PNG
(US8791257, 196)
Show SMILES COc1cc(ccc1C(N)=O)-c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c2c(N)ncnn12 |wU:17.17,wD:20.21,(1.37,-7.38,;1.84,-5.92,;.81,-4.77,;1.29,-3.31,;.26,-2.16,;-1.25,-2.48,;-1.73,-3.95,;-.69,-5.09,;-1.17,-6.56,;-2.68,-6.88,;-.14,-7.7,;.73,-.7,;-.17,.55,;.73,1.79,;.26,3.26,;-1.25,3.58,;1.29,4.4,;.81,5.87,;-.69,6.19,;-1.17,7.65,;-.14,8.8,;-.62,10.26,;1.37,8.48,;1.84,7.01,;2.2,1.32,;3.53,2.09,;3.53,3.63,;4.86,1.32,;4.86,-.22,;3.53,-.99,;2.2,-.22,)|
Show InChI InChI=1S/C21H24N6O4/c1-31-17-8-11(2-7-14(17)20(23)29)16-9-15(18-19(22)24-10-25-27(16)18)21(30)26-12-3-5-13(28)6-4-12/h2,7-10,12-13,28H,3-6H2,1H3,(H2,23,29)(H,26,30)(H2,22,24,25)/t12-,13-
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n/an/a 2.30E+3n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127339
PNG
(US8791257, 190)
Show SMILES CC(C)(C)N(CC1CCN(CC1)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12)C([O-])=O
Show InChI InChI=1S/C23H29N7O3/c1-23(2,3)29(22(32)33)13-15-6-10-28(11-7-15)21(31)17-12-18(16-4-8-25-9-5-16)30-19(17)20(24)26-14-27-30/h4-5,8-9,12,14-15H,6-7,10-11,13H2,1-3H3,(H,32,33)(H2,24,26,27)/p-1
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n/an/a 2.80E+3n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127342
PNG
(US8791257, 197)
Show SMILES NC(=O)c1cccc(c1)-c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c2c(N)ncnn12 |wU:15.15,wD:18.19,(1.21,-8.13,;1.68,-6.67,;3.19,-6.34,;.65,-5.52,;-.86,-5.84,;-1.89,-4.7,;-1.41,-3.23,;.1,-2.91,;1.13,-4.06,;.57,-1.45,;-.33,-.2,;.57,1.04,;.1,2.51,;-1.41,2.83,;1.13,3.65,;.65,5.12,;-.86,5.44,;-1.33,6.9,;-.3,8.05,;-.78,9.51,;1.21,7.73,;1.68,6.26,;2.04,.57,;3.37,1.34,;3.37,2.88,;4.7,.57,;4.7,-.97,;3.37,-1.74,;2.04,-.97,)|
Show InChI InChI=1S/C20H22N6O3/c21-18-17-15(20(29)25-13-4-6-14(27)7-5-13)9-16(26(17)24-10-23-18)11-2-1-3-12(8-11)19(22)28/h1-3,8-10,13-14,27H,4-7H2,(H2,22,28)(H,25,29)(H2,21,23,24)/t13-,14-
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n/an/a 4.30E+3n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127321
PNG
(US8791257, 26)
Show SMILES CNCCCNC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
Show InChI InChI=1S/C16H19N7O/c1-18-5-2-6-20-16(24)12-9-13(11-3-7-19-8-4-11)23-14(12)15(17)21-10-22-23/h3-4,7-10,18H,2,5-6H2,1H3,(H,20,24)(H2,17,21,22)
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n/an/a 4.40E+3n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127343
PNG
(US8791257, 199)
Show SMILES CC(C)Oc1cc(ccn1)-c1cc(C(=O)NC2CCC(N)CC2)c2c(N)ncnn12 |(-3.33,-5.79,;-1.82,-5.47,;-.79,-6.61,;-1.35,-4,;.16,-3.68,;.63,-2.22,;2.14,-1.9,;3.17,-3.04,;2.7,-4.51,;1.19,-4.83,;2.62,-.43,;1.71,.81,;2.62,2.06,;2.14,3.52,;3.17,4.67,;.63,3.84,;.16,5.31,;-1.35,5.63,;-1.82,7.09,;-.79,8.24,;-1.27,9.7,;.71,7.92,;1.19,6.45,;4.08,1.58,;5.42,2.35,;5.42,3.89,;6.75,1.58,;6.75,.04,;5.42,-.73,;4.08,.04,)|
Show InChI InChI=1S/C21H27N7O2/c1-12(2)30-18-9-13(7-8-24-18)17-10-16(19-20(23)25-11-26-28(17)19)21(29)27-15-5-3-14(22)4-6-15/h7-12,14-15H,3-6,22H2,1-2H3,(H,27,29)(H2,23,25,26)
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n/an/a 5.80E+3n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127340
PNG
(US8791257, 191)
Show SMILES CN(CCCN)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
Show InChI InChI=1S/C16H19N7O/c1-22(8-2-5-17)16(24)12-9-13(11-3-6-19-7-4-11)23-14(12)15(18)20-10-21-23/h3-4,6-7,9-10H,2,5,8,17H2,1H3,(H2,18,20,21)
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n/an/a 5.90E+3n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM127338
PNG
(US8791257, 189)
Show SMILES NCC1CCCN(C1)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
Show InChI InChI=1S/C18H21N7O/c19-9-12-2-1-7-24(10-12)18(26)14-8-15(13-3-5-21-6-4-13)25-16(14)17(20)22-11-23-25/h3-6,8,11-12H,1-2,7,9-10,19H2,(H2,20,22,23)
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n/an/a 1.20E+4n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...

US Patent US8791257 (2014)


BindingDB Entry DOI: 10.7270/Q2736PMF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%