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USPatent US9340549

Compile data set for download or QSAR
Found 193 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
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231074
PNG
(US9340549, 98)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc2[nH]c(=O)n(-c3ncccn3)c2c1 |r,wU:7.8,17.22,wD:14.15,(-7.97,.64,;-6.64,1.41,;-7.41,.08,;-6.64,2.95,;-5.17,3.43,;-4.4,4.76,;-4.27,2.18,;-5.17,.93,;-4.78,-.55,;-5.86,-1.64,;-5.47,-3.13,;-3.98,-3.53,;-2.89,-2.44,;-3.29,-.95,;-2.73,2.18,;-1.96,.85,;-.42,.85,;.35,2.18,;-.42,3.51,;-1.96,3.51,;1.89,2.18,;2.66,3.51,;4.2,3.51,;4.97,2.18,;6.48,1.86,;6.64,.33,;7.97,-.44,;5.23,-.3,;4.83,-1.79,;3.35,-2.18,;2.95,-3.67,;4.04,-4.76,;5.52,-4.36,;5.92,-2.87,;4.2,.85,;2.66,.85,)|
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n/an/a 0.316n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231158
PNG
(US9340549, 178)
Show SMILES C[C@H]1OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:1.0,6.7,16.21,wD:13.14,(-7.62,.02,;-6.28,.79,;-6.28,2.33,;-4.82,2.81,;-4.05,4.14,;-3.91,1.56,;-4.82,.32,;-4.42,-1.17,;-5.51,-2.26,;-5.11,-3.75,;-3.62,-4.14,;-2.53,-3.05,;-2.93,-1.57,;-2.37,1.56,;-1.6,.23,;-.06,.23,;.71,1.56,;-.06,2.9,;-1.6,2.9,;2.25,1.56,;3.15,.32,;2.83,-1.19,;3.98,-2.22,;5.44,-1.74,;5.76,-.24,;4.62,.79,;4.62,2.33,;3.15,2.81,;2.38,4.14,;6.58,-2.77,;7.73,-3.8,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231152
PNG
(US9340549, 174)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@H](CC1)c1cnc2ccn(-c3ncccn3)c2c1 |r,wU:7.8,wD:14.15,17.22,(-6.93,-3.44,;-6.16,-2.11,;-5.39,-3.44,;-7.06,-.86,;-6.16,.38,;-6.93,1.72,;-4.69,-.09,;-4.69,-1.63,;-3.6,-2.72,;-4,-4.21,;-2.91,-5.3,;-1.42,-4.9,;-1.03,-3.41,;-2.11,-2.32,;-3.36,.68,;-2.02,-.09,;-.69,.68,;-.69,2.22,;-2.02,2.99,;-3.36,2.22,;.64,2.99,;.64,4.53,;1.98,5.3,;3.31,4.53,;4.78,5,;5.68,3.76,;4.78,2.51,;5.17,1.02,;4.09,-.06,;4.48,-1.55,;5.97,-1.95,;7.06,-.86,;6.66,.63,;3.31,2.99,;1.98,2.22,)|
Show InChI InChI=1S/C28H29N5O2/c1-28(2)25(20-7-4-3-5-8-20)33(27(34)35-28)22-11-9-19(10-12-22)21-17-24-23(31-18-21)13-16-32(24)26-29-14-6-15-30-26/h3-8,13-19,22,25H,9-12H2,1-2H3/t19-,22+,25-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM50434155
PNG
(CHEMBL2381946 | US9340549, 60)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(C#N)c(F)c2[nH]c1=O |r,wU:17.22,7.8,wD:14.15,(35.11,-25.03,;35.89,-23.7,;34.35,-23.69,;35.89,-22.16,;37.36,-21.69,;37.84,-20.22,;38.27,-22.93,;37.36,-24.18,;38.19,-25.47,;37.48,-26.84,;38.31,-28.14,;39.85,-28.07,;40.55,-26.69,;39.72,-25.4,;39.81,-22.93,;40.58,-24.27,;42.12,-24.27,;42.89,-22.94,;42.11,-21.6,;40.57,-21.6,;44.43,-22.93,;45.33,-24.17,;45.01,-25.67,;46.16,-26.7,;47.63,-26.22,;48.78,-27.24,;49.93,-28.27,;47.94,-24.72,;49.4,-24.24,;46.8,-23.7,;46.8,-22.16,;45.33,-21.68,;44.85,-20.22,)|
Show InChI InChI=1S/C25H25FN4O3/c1-25(2)22(15-6-4-3-5-7-15)30(24(32)33-25)18-11-9-17(10-12-18)29-19-13-8-16(14-27)20(26)21(19)28-23(29)31/h3-8,13,17-18,22H,9-12H2,1-2H3,(H,28,31)/t17-,18-,22-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231030
PNG
(US9340549, 47)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:7.8,14.15,wD:17.22,(-7.62,.02,;-6.28,.79,;-7.05,-.54,;-6.28,2.33,;-4.82,2.81,;-4.05,4.14,;-3.91,1.56,;-4.82,.32,;-4.42,-1.17,;-5.51,-2.26,;-5.11,-3.75,;-3.62,-4.14,;-2.53,-3.05,;-2.93,-1.57,;-2.37,1.56,;-1.6,2.9,;-.06,2.9,;.71,1.56,;-.06,.23,;-1.6,.23,;2.25,1.56,;3.15,.32,;2.83,-1.19,;3.98,-2.22,;5.44,-1.74,;5.76,-.24,;4.62,.79,;4.62,2.33,;3.15,2.81,;2.38,4.14,;6.58,-2.77,;7.73,-3.8,)|
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AMGEN INC.

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Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM50444583
PNG
(CHEMBL3099716 | US9340549, 74)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1ncccn1 |r,wU:17.22,7.8,wD:14.15,(49.17,-3.5,;50.51,-4.26,;49.19,-5.04,;51.4,-3,;52.87,-3.46,;54.11,-2.55,;52.89,-5,;51.43,-5.5,;50.7,-6.85,;49.16,-6.89,;48.43,-8.25,;49.24,-9.56,;50.79,-9.51,;51.51,-8.15,;54.14,-5.9,;54.14,-7.45,;55.47,-8.22,;56.81,-7.45,;56.8,-5.9,;55.47,-5.13,;58.14,-8.21,;59.46,-7.44,;60.8,-8.2,;60.8,-9.75,;62.14,-10.52,;59.47,-10.52,;58.14,-9.76,;59.47,-12.05,;58.14,-12.83,;58.14,-14.36,;59.47,-15.13,;60.81,-14.35,;60.8,-12.82,)|
Show InChI InChI=1S/C26H29N5O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24/h3-8,13-17,20,22H,9-12H2,1-2H3,(H2,27,30)/t17-,20-,22-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231039
PNG
(US9340549, 56)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ncc(Br)cc2[nH]c1=O |r,wU:7.8,17.22,wD:14.15,(-7.07,.02,;-5.74,.79,;-6.51,-.54,;-5.74,2.33,;-4.28,2.81,;-3.51,4.14,;-3.37,1.56,;-4.28,.32,;-3.88,-1.17,;-4.97,-2.26,;-4.57,-3.75,;-3.08,-4.14,;-1.99,-3.05,;-2.39,-1.57,;-1.83,1.56,;-1.06,.23,;.48,.23,;1.25,1.56,;.48,2.9,;-1.06,2.9,;2.79,1.56,;3.7,.32,;3.38,-1.19,;4.52,-2.22,;5.98,-1.74,;7.07,-2.83,;6.3,-.24,;5.16,.79,;5.16,2.33,;3.7,2.81,;2.93,4.14,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231038
PNG
(US9340549, 55)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccc(F)cc1)[C@H]1CC[C@@H](CC1)n1c2ccncc2[nH]c1=O |r,wU:7.8,18.23,wD:15.16,(-6.69,.77,;-5.36,1.54,;-6.13,.2,;-5.36,3.08,;-3.89,3.55,;-3.12,4.89,;-2.99,2.31,;-3.89,1.06,;-3.49,-.43,;-4.58,-1.51,;-4.18,-3,;-2.69,-3.4,;-2.3,-4.89,;-1.61,-2.31,;-2,-.82,;-1.45,2.31,;-.68,.97,;.86,.97,;1.63,2.31,;.86,3.64,;-.68,3.64,;3.17,2.31,;4.08,1.06,;3.76,-.44,;4.9,-1.47,;6.37,-1,;6.69,.51,;5.54,1.54,;5.54,3.08,;4.08,3.55,;3.31,4.89,)|
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Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231070
PNG
(US9340549, 93)
Show SMILES C[C@]1(CN([C@H]2CC[C@H](CC2)n2c3ccc(cc3[nH]c2=O)C#N)C(=O)O1)c1ccccc1 |r,wU:4.3,7.10,wD:1.0,(-4.54,5.69,;-3.2,4.92,;-2.3,3.67,;-.83,4.15,;.5,3.38,;1.83,4.15,;3.17,3.38,;3.17,1.84,;1.83,1.07,;.5,1.84,;4.5,1.07,;4.5,-.47,;3.36,-1.5,;3.68,-3.01,;5.14,-3.48,;6.28,-2.45,;5.96,-.95,;6.87,.3,;5.96,1.54,;6.73,2.88,;5.54,-4.97,;5.94,-6.46,;-.83,5.69,;.5,6.46,;-2.3,6.16,;-4.29,3.83,;-5.78,4.23,;-6.87,3.14,;-6.47,1.65,;-4.98,1.25,;-3.89,2.34,)|
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AMGEN INC.

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Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231005
PNG
(US9340549, 23)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccncc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231042
PNG
(US9340549, 61)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccc(F)cc1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:7.8,18.23,wD:15.16,(-7.62,.77,;-6.28,1.54,;-7.05,.2,;-6.28,3.08,;-4.82,3.55,;-4.05,4.89,;-3.91,2.31,;-4.82,1.06,;-4.42,-.43,;-5.51,-1.51,;-5.11,-3,;-3.62,-3.4,;-3.23,-4.89,;-2.53,-2.31,;-2.93,-.82,;-2.37,2.31,;-1.6,.97,;-.06,.97,;.71,2.31,;-.06,3.64,;-1.6,3.64,;2.25,2.31,;3.15,1.06,;2.83,-.44,;3.98,-1.47,;5.44,-1,;5.76,.51,;4.62,1.54,;4.62,3.08,;3.15,3.55,;2.38,4.89,;6.58,-2.03,;7.73,-3.06,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM50434156
PNG
(CHEMBL2381945 | US9340549, 103)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(F)c(cc2[nH]c1=O)C#N |r,wU:17.22,7.8,wD:14.15,(18.3,-25.15,;19.08,-23.82,;17.54,-23.81,;19.09,-22.28,;20.55,-21.8,;21.03,-20.34,;21.46,-23.05,;20.55,-24.3,;21.38,-25.59,;20.67,-26.95,;21.5,-28.25,;23.04,-28.18,;23.75,-26.81,;22.91,-25.51,;23,-23.05,;23.77,-24.39,;25.31,-24.39,;26.08,-23.05,;25.3,-21.71,;23.76,-21.72,;27.62,-23.05,;28.53,-24.29,;28.21,-25.79,;29.35,-26.82,;29.03,-28.33,;30.82,-26.34,;31.13,-24.84,;29.99,-23.81,;29.99,-22.27,;28.52,-21.8,;28.04,-20.33,;31.97,-27.36,;33.12,-28.39,)|
Show InChI InChI=1S/C25H25FN4O3/c1-25(2)22(15-6-4-3-5-7-15)30(24(32)33-25)18-10-8-17(9-11-18)29-21-13-19(26)16(14-27)12-20(21)28-23(29)31/h3-7,12-13,17-18,22H,8-11H2,1-2H3,(H,28,31)/t17-,18-,22-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231034
PNG
(US9340549, 51)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cccc(C#N)c2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-8.18,.02,;-6.84,.79,;-7.61,-.54,;-6.84,2.33,;-5.38,2.81,;-4.61,4.14,;-4.47,1.56,;-5.38,.32,;-4.98,-1.17,;-6.07,-2.26,;-5.67,-3.75,;-4.18,-4.14,;-3.09,-3.05,;-3.49,-1.57,;-2.93,1.56,;-2.16,2.9,;-.62,2.9,;.15,1.56,;-.62,.23,;-2.16,.23,;1.69,1.56,;2.59,.32,;2.27,-1.19,;3.42,-2.22,;4.88,-1.74,;5.2,-.24,;6.67,.24,;8.13,.72,;4.06,.79,;4.06,2.33,;2.59,2.81,;1.82,4.14,)|
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n/an/a 3.56n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM50434158
PNG
(CHEMBL2381936 | US9340549, 59)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc2cc(F)cnc12 |r,wU:17.22,7.8,wD:14.15,(19.91,-58.3,;20.69,-56.97,;19.15,-56.96,;20.69,-55.43,;22.16,-54.95,;22.64,-53.49,;23.07,-56.2,;22.16,-57.45,;22.99,-58.73,;22.28,-60.1,;23.11,-61.4,;24.65,-61.33,;25.35,-59.95,;24.52,-58.66,;24.61,-56.2,;25.38,-57.54,;26.91,-57.54,;27.69,-56.2,;26.91,-54.86,;25.37,-54.87,;29.23,-56.2,;30,-57.53,;29.23,-58.87,;31.54,-57.53,;32.3,-56.2,;33.84,-56.19,;34.62,-57.53,;33.85,-58.86,;34.62,-60.19,;33.86,-61.52,;34.63,-62.85,;32.31,-61.52,;31.54,-60.19,;32.31,-58.86,)|
Show InChI InChI=1S/C26H27FN4O3/c1-26(2)23(16-6-4-3-5-7-16)31(25(33)34-26)19-10-8-18(9-11-19)30-24(32)20-12-13-28-21-14-17(27)15-29-22(20)21/h3-7,12-15,18-19,23H,8-11H2,1-2H3,(H,30,32)/t18-,19-,23-/m0/s1
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n/an/a 3.86n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231163
PNG
(US9340549, 183)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1csc(n1)-c1ncccn1 |r,wU:7.8,14.15,wD:17.22,(-9.1,-.02,;-7.77,.75,;-8.54,-.58,;-7.77,2.29,;-6.31,2.77,;-5.54,4.1,;-5.4,1.52,;-6.31,.27,;-5.91,-1.21,;-7,-2.3,;-6.6,-3.79,;-5.11,-4.19,;-4.02,-3.1,;-4.42,-1.61,;-3.86,1.52,;-3.09,2.85,;-1.55,2.85,;-.78,1.52,;-1.55,.19,;-3.09,.19,;.76,1.52,;1.53,2.85,;.76,4.19,;3.07,2.85,;3.97,4.1,;5.44,3.62,;5.44,2.08,;3.97,1.61,;6.53,1,;6.13,-.49,;7.22,-1.58,;8.71,-1.18,;9.1,.31,;8.02,1.39,)|
Show InChI InChI=1S/C25H27N5O3S/c1-25(2)20(16-7-4-3-5-8-16)30(24(32)33-25)18-11-9-17(10-12-18)28-22(31)19-15-34-23(29-19)21-26-13-6-14-27-21/h3-8,13-15,17-18,20H,9-12H2,1-2H3,(H,28,31)/t17-,18-,20-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231060
PNG
(US9340549, 83)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cnccc2[nH]c1=O |r,wU:7.8,17.22,wD:14.15,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,.23,;.86,.23,;1.63,1.56,;.86,2.9,;-.68,2.9,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231007
PNG
(US9340549, 25)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.16,4.23,;-5.83,3.47,;-7.16,2.69,;-4.92,4.71,;-3.46,4.23,;-2.13,5,;-3.46,2.69,;-4.92,2.22,;-5.32,.73,;-6.81,.33,;-7.21,-1.15,;-6.12,-2.24,;-4.63,-1.84,;-4.23,-.36,;-2.13,1.93,;-2.13,.38,;-.79,-.38,;.54,.38,;.54,1.93,;-.79,2.69,;1.87,-.38,;3.21,.38,;3.21,1.93,;4.54,-.38,;5.88,.38,;7.21,-.38,;7.21,-1.93,;5.88,-2.69,;5.88,-4.23,;4.54,-5,;3.21,-4.23,;3.21,-2.69,;4.54,-1.93,)|
Show InChI InChI=1S/C26H28N4O3/c1-26(2)23(17-7-4-3-5-8-17)30(25(32)33-26)19-12-10-18(11-13-19)29-24(31)20-14-16-27-21-9-6-15-28-22(20)21/h3-9,14-16,18-19,23H,10-13H2,1-2H3,(H,29,31)/t18-,19-,23-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]


(Homo sapiens (Human))		BDBM231008
PNG
(US9340549, 26 | US9340549, 27)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.16,4.23,;-5.83,3.47,;-7.16,2.69,;-4.92,4.71,;-3.46,4.23,;-2.13,5,;-3.46,2.69,;-4.92,2.22,;-5.32,.73,;-6.81,.33,;-7.21,-1.15,;-6.12,-2.24,;-4.63,-1.84,;-4.23,-.36,;-2.13,1.93,;-2.13,.38,;-.79,-.38,;.54,.38,;.54,1.93,;-.79,2.69,;1.87,-.38,;3.21,.38,;3.21,1.93,;4.54,-.38,;5.88,.38,;7.21,-.38,;7.21,-1.93,;5.88,-2.69,;5.88,-4.23,;4.54,-5,;3.21,-4.23,;3.21,-2.69,;4.54,-1.93,)|
Show InChI InChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)29-25(31)22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20-,21-,24-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231069
PNG
(US9340549, 92)
Show SMILES CC1(CN([C@H]2CC[C@H](CC2)n2c3ccc(cc3[nH]c2=O)C#N)C(=O)O1)c1ccccc1 |r,wU:4.3,7.10,(-4.54,5.69,;-3.2,4.92,;-2.3,3.67,;-.83,4.15,;.5,3.38,;1.83,4.15,;3.17,3.38,;3.17,1.84,;1.83,1.07,;.5,1.84,;4.5,1.07,;4.5,-.47,;3.36,-1.5,;3.68,-3.01,;5.14,-3.48,;6.28,-2.45,;5.96,-.95,;6.87,.3,;5.96,1.54,;6.73,2.88,;5.54,-4.97,;5.94,-6.46,;-.83,5.69,;.5,6.46,;-2.3,6.16,;-4.29,3.83,;-5.78,4.23,;-6.87,3.14,;-6.47,1.65,;-4.98,1.25,;-3.89,2.34,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]


(Homo sapiens (Human))		BDBM231012
PNG
(US9340549, 29)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(Cl)cc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-7.07,.02,;-5.74,.79,;-6.51,-.54,;-5.74,2.33,;-4.28,2.81,;-3.51,4.14,;-3.37,1.56,;-4.28,.32,;-3.88,-1.17,;-4.97,-2.26,;-4.57,-3.75,;-3.08,-4.14,;-1.99,-3.05,;-2.39,-1.57,;-1.83,1.56,;-1.06,2.9,;.48,2.9,;1.25,1.56,;.48,.23,;-1.06,.23,;2.79,1.56,;3.7,.32,;3.38,-1.19,;4.52,-2.22,;5.98,-1.74,;7.07,-2.83,;6.3,-.24,;5.16,.79,;5.16,2.33,;3.7,2.81,;2.93,4.14,)|
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n/an/a 4.98n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231033
PNG
(US9340549, 50)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ncncc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231111
PNG
(US9340549, 136)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)C1CC[C@@H](CC1)c1cnc2[nH]ccc2c1 |r,wU:7.8,wD:17.22,(-7.31,.02,;-5.97,.79,;-6.74,-.54,;-5.97,2.33,;-4.51,2.81,;-3.74,4.14,;-3.6,1.56,;-4.51,.32,;-4.11,-1.17,;-5.2,-2.26,;-4.8,-3.75,;-3.31,-4.14,;-2.22,-3.05,;-2.62,-1.57,;-2.06,1.56,;-1.29,2.9,;.25,2.9,;1.02,1.56,;.25,.23,;-1.29,.23,;2.56,1.56,;3.33,2.9,;4.87,2.9,;5.64,1.56,;7.14,1.24,;7.31,-.29,;5.9,-.91,;4.87,.23,;3.33,.23,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231131
PNG
(US9340549, 156)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1csc(n1)-c1ccccc1 |r,wU:7.8,17.22,wD:14.15,(-9.1,-.02,;-7.77,.75,;-8.54,-.58,;-7.77,2.29,;-6.31,2.77,;-5.54,4.1,;-5.4,1.52,;-6.31,.27,;-5.91,-1.21,;-7,-2.3,;-6.6,-3.79,;-5.11,-4.19,;-4.02,-3.1,;-4.42,-1.61,;-3.86,1.52,;-3.09,.19,;-1.55,.19,;-.78,1.52,;-1.55,2.85,;-3.09,2.85,;.76,1.52,;1.53,2.85,;.76,4.19,;3.07,2.85,;3.97,4.1,;5.44,3.62,;5.44,2.08,;3.97,1.61,;6.53,1,;6.13,-.49,;7.22,-1.58,;8.71,-1.18,;9.1,.31,;8.02,1.39,)|
Show InChI InChI=1S/C27H29N3O3S/c1-27(2)23(18-9-5-3-6-10-18)30(26(32)33-27)21-15-13-20(14-16-21)28-24(31)22-17-34-25(29-22)19-11-7-4-8-12-19/h3-12,17,20-21,23H,13-16H2,1-2H3,(H,28,31)/t20-,21-,23-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231012
PNG
(US9340549, 29)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(Cl)cc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-7.07,.02,;-5.74,.79,;-6.51,-.54,;-5.74,2.33,;-4.28,2.81,;-3.51,4.14,;-3.37,1.56,;-4.28,.32,;-3.88,-1.17,;-4.97,-2.26,;-4.57,-3.75,;-3.08,-4.14,;-1.99,-3.05,;-2.39,-1.57,;-1.83,1.56,;-1.06,2.9,;.48,2.9,;1.25,1.56,;.48,.23,;-1.06,.23,;2.79,1.56,;3.7,.32,;3.38,-1.19,;4.52,-2.22,;5.98,-1.74,;7.07,-2.83,;6.3,-.24,;5.16,.79,;5.16,2.33,;3.7,2.81,;2.93,4.14,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]


(Homo sapiens (Human))		BDBM231007
PNG
(US9340549, 25)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.16,4.23,;-5.83,3.47,;-7.16,2.69,;-4.92,4.71,;-3.46,4.23,;-2.13,5,;-3.46,2.69,;-4.92,2.22,;-5.32,.73,;-6.81,.33,;-7.21,-1.15,;-6.12,-2.24,;-4.63,-1.84,;-4.23,-.36,;-2.13,1.93,;-2.13,.38,;-.79,-.38,;.54,.38,;.54,1.93,;-.79,2.69,;1.87,-.38,;3.21,.38,;3.21,1.93,;4.54,-.38,;5.88,.38,;7.21,-.38,;7.21,-1.93,;5.88,-2.69,;5.88,-4.23,;4.54,-5,;3.21,-4.23,;3.21,-2.69,;4.54,-1.93,)|
Show InChI InChI=1S/C26H28N4O3/c1-26(2)23(17-7-4-3-5-8-17)30(25(32)33-26)19-12-10-18(11-13-19)29-24(31)20-14-16-27-21-9-6-15-28-22(20)21/h3-9,14-16,18-19,23H,10-13H2,1-2H3,(H,29,31)/t18-,19-,23-/m0/s1
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n/an/a 5.46n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231036
PNG
(US9340549, 53)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(Cl)ncc2[nH]c1=O |r,wU:7.8,17.22,wD:14.15,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,.23,;.86,.23,;1.63,1.56,;.86,2.9,;-.68,2.9,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;4.51,-3.71,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|
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n/an/a 6.52n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231164
PNG
(US9340549, 87)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)C1CCc(cC1)-c1cc2ccncc2[nH]c1=O |r|
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n/an/a 6.91n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM50444584
PNG
(CHEMBL3099718 | US9340549, 95)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)C#N |r,wU:17.22,7.8,wD:14.15,(26.78,-18.45,;28.12,-19.21,;26.8,-19.99,;29.01,-17.95,;30.48,-18.41,;31.72,-17.5,;30.5,-19.95,;29.04,-20.44,;28.31,-21.8,;26.77,-21.84,;26.04,-23.2,;26.85,-24.51,;28.4,-24.45,;29.12,-23.1,;31.75,-20.85,;31.74,-22.4,;33.08,-23.17,;34.42,-22.4,;34.41,-20.85,;33.08,-20.08,;35.74,-23.16,;37.07,-22.39,;38.4,-23.15,;38.41,-24.7,;39.75,-25.47,;37.08,-25.47,;35.74,-24.7,;37.09,-27.01,;37.09,-28.55,)|
Show InChI InChI=1S/C23H26N4O2/c1-23(2)20(16-6-4-3-5-7-16)27(22(28)29-23)19-10-8-15(9-11-19)18-12-17(13-24)21(25)26-14-18/h3-7,12,14-15,19-20H,8-11H2,1-2H3,(H2,25,26)/t15-,19-,20-/m0/s1
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n/an/a 6.98n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231037
PNG
(US9340549, 54)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(ncc2[nH]c1=O)C#N |r,wU:7.8,17.22,wD:14.15,(-6.69,.55,;-5.36,1.32,;-6.13,-.01,;-5.36,2.86,;-3.89,3.33,;-3.12,4.67,;-2.99,2.09,;-3.89,.84,;-3.49,-.64,;-4.58,-1.73,;-4.18,-3.22,;-2.69,-3.62,;-1.61,-2.53,;-2,-1.04,;-1.45,2.09,;-.68,.76,;.86,.76,;1.63,2.09,;.86,3.42,;-.68,3.42,;3.17,2.09,;4.08,.84,;3.76,-.66,;4.9,-1.69,;6.37,-1.22,;6.69,.29,;5.54,1.32,;5.54,2.86,;4.08,3.33,;3.31,4.67,;4.58,-3.2,;4.26,-4.71,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231041
PNG
(US9340549, 58)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)n1ccc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.38,-.02,;-6.04,.75,;-6.81,-.58,;-6.04,2.29,;-4.58,2.77,;-3.81,4.1,;-3.67,1.52,;-4.58,.27,;-4.18,-1.21,;-5.27,-2.3,;-4.87,-3.79,;-3.38,-4.19,;-2.29,-3.1,;-2.69,-1.61,;-2.13,1.52,;-1.36,.19,;.18,.19,;.95,1.52,;.18,2.85,;-1.36,2.85,;2.49,1.52,;3.26,2.85,;2.49,4.19,;4.59,2.08,;5.84,2.99,;7.08,2.08,;6.61,.62,;7.38,-.71,;6.61,-2.05,;5.07,-2.05,;4.3,-.71,;5.07,.62,)|
Show InChI InChI=1S/C25H28N4O3/c1-25(2)21(17-7-4-3-5-8-17)29(24(31)32-25)20-12-10-19(11-13-20)27-23(30)28-16-14-18-9-6-15-26-22(18)28/h3-9,14-16,19-21H,10-13H2,1-2H3,(H,27,30)/t19-,20-,21-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231043
PNG
(US9340549, 62)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)N1Cc2cc(ccc2NC1=O)C#N |r,wU:7.8,17.22,wD:14.15,(-8.01,-.02,;-6.68,.75,;-7.45,-.58,;-6.68,2.29,;-5.21,2.77,;-4.44,4.1,;-4.31,1.52,;-5.21,.27,;-4.81,-1.21,;-5.9,-2.3,;-5.51,-3.79,;-4.02,-4.19,;-2.93,-3.1,;-3.33,-1.61,;-2.77,1.52,;-2,.19,;-.46,.19,;.31,1.52,;-.46,2.85,;-2,2.85,;1.85,1.52,;2.62,.19,;4.16,.19,;4.93,-1.15,;6.47,-1.15,;7.24,.19,;6.47,1.52,;4.93,1.52,;4.16,2.85,;2.62,2.85,;1.85,4.19,;7.24,-2.48,;8.01,-3.81,)|
Show InChI InChI=1S/C26H28N4O3/c1-26(2)23(18-6-4-3-5-7-18)30(25(32)33-26)21-11-9-20(10-12-21)29-16-19-14-17(15-27)8-13-22(19)28-24(29)31/h3-8,13-14,20-21,23H,9-12,16H2,1-2H3,(H,28,31)/t20-,21-,23-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM50444583
PNG
(CHEMBL3099716 | US9340549, 74)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1ncccn1 |r,wU:17.22,7.8,wD:14.15,(49.17,-3.5,;50.51,-4.26,;49.19,-5.04,;51.4,-3,;52.87,-3.46,;54.11,-2.55,;52.89,-5,;51.43,-5.5,;50.7,-6.85,;49.16,-6.89,;48.43,-8.25,;49.24,-9.56,;50.79,-9.51,;51.51,-8.15,;54.14,-5.9,;54.14,-7.45,;55.47,-8.22,;56.81,-7.45,;56.8,-5.9,;55.47,-5.13,;58.14,-8.21,;59.46,-7.44,;60.8,-8.2,;60.8,-9.75,;62.14,-10.52,;59.47,-10.52,;58.14,-9.76,;59.47,-12.05,;58.14,-12.83,;58.14,-14.36,;59.47,-15.13,;60.81,-14.35,;60.8,-12.82,)|
Show InChI InChI=1S/C26H29N5O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24/h3-8,13-17,20,22H,9-12H2,1-2H3,(H2,27,30)/t17-,20-,22-/m0/s1
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n/an/a 8.30n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231068
PNG
(US9340549, 91)
Show SMILES C[C@@]1(CN([C@H]2CC[C@@H](CC2)n2c3ccncc3[nH]c2=O)C(=O)O1)c1ccccc1 |r,wU:1.0,4.3,wD:7.10,(-4.58,-1.5,;-3.81,-.17,;-2.34,-.64,;-1.44,.6,;.1,.6,;.87,1.94,;2.41,1.94,;3.18,.6,;2.41,-.73,;.87,-.73,;4.72,.6,;5.63,-.64,;5.31,-2.15,;6.45,-3.18,;7.92,-2.71,;8.24,-1.2,;7.09,-.17,;7.09,1.37,;5.63,1.85,;4.86,3.18,;-2.34,1.85,;-1.57,3.18,;-3.81,1.37,;-5.35,-.17,;-6.12,1.17,;-7.66,1.17,;-8.43,-.17,;-7.66,-1.5,;-6.12,-1.5,)|
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n/an/a 9.01n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231121
PNG
(US9340549, 146)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2cccnc12 |r,wU:7.8,14.15,wD:17.22,(-7.84,-.02,;-6.51,.75,;-7.28,-.58,;-6.51,2.29,;-5.05,2.77,;-4.28,4.1,;-4.14,1.52,;-5.05,.27,;-4.65,-1.21,;-5.74,-2.3,;-5.34,-3.79,;-3.85,-4.19,;-2.76,-3.1,;-3.16,-1.61,;-2.6,1.52,;-1.83,2.85,;-.29,2.85,;.48,1.52,;-.29,.19,;-1.83,.19,;2.02,1.52,;2.79,2.85,;2.02,4.19,;4.33,2.85,;5.23,4.1,;6.7,3.62,;6.7,2.08,;7.84,1.05,;7.52,-.45,;6.06,-.93,;4.91,.1,;5.23,1.61,)|
Show InChI InChI=1S/C24H27N5O3/c1-24(2)20(16-7-4-3-5-8-16)29(23(31)32-24)18-11-9-17(10-12-18)27-22(30)19-15-26-28-14-6-13-25-21(19)28/h3-8,13-15,17-18,20H,9-12H2,1-2H3,(H,27,30)/t17-,18-,20-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231150
PNG
(US9340549, 173)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CCC(=CC1)c1cnc2ccn(-c3ncccn3)c2c1 |r,c:19|
Show InChI InChI=1S/C28H27N5O2/c1-28(2)25(20-7-4-3-5-8-20)33(27(34)35-28)22-11-9-19(10-12-22)21-17-24-23(31-18-21)13-16-32(24)26-29-14-6-15-30-26/h3-9,13-18,22,25H,10-12H2,1-2H3/t22-,25+/m1/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231008
PNG
(US9340549, 26 | US9340549, 27)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.16,4.23,;-5.83,3.47,;-7.16,2.69,;-4.92,4.71,;-3.46,4.23,;-2.13,5,;-3.46,2.69,;-4.92,2.22,;-5.32,.73,;-6.81,.33,;-7.21,-1.15,;-6.12,-2.24,;-4.63,-1.84,;-4.23,-.36,;-2.13,1.93,;-2.13,.38,;-.79,-.38,;.54,.38,;.54,1.93,;-.79,2.69,;1.87,-.38,;3.21,.38,;3.21,1.93,;4.54,-.38,;5.88,.38,;7.21,-.38,;7.21,-1.93,;5.88,-2.69,;5.88,-4.23,;4.54,-5,;3.21,-4.23,;3.21,-2.69,;4.54,-1.93,)|
Show InChI InChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)29-25(31)22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20-,21-,24-/m0/s1
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n/an/a 10.3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231013
PNG
(US9340549, 30)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cccnc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]


(Homo sapiens (Human))		BDBM231015
PNG
(US9340549, 32)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)C(=O)Nc1cccc2cccnc12 |r,wU:7.8,14.15,wD:17.22,(-7.63,.02,;-6.29,.79,;-7.06,-.54,;-6.29,2.33,;-4.83,2.81,;-4.06,4.14,;-3.92,1.56,;-4.83,.32,;-4.43,-1.17,;-5.52,-2.26,;-5.12,-3.75,;-3.63,-4.14,;-2.54,-3.05,;-2.94,-1.57,;-2.38,1.56,;-1.61,2.9,;-.07,2.9,;.7,1.56,;-.07,.23,;-1.61,.23,;2.24,1.56,;3.01,2.9,;3.01,.23,;4.55,.23,;5.32,1.56,;6.86,1.56,;7.63,.23,;6.86,-1.1,;7.63,-2.44,;6.86,-3.77,;5.32,-3.77,;4.55,-2.44,;5.32,-1.1,)|
Show InChI InChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)25(31)29-22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20-,21-,24-/m0/s1
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n/an/a 10.9n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]


(Homo sapiens (Human))		BDBM230983
PNG
(US9340549, 1)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)C(=O)Nc1ccnc2cccnc12 |r|
Show InChI InChI=1S/C26H22N4O3/c1-26(2)23(17-7-4-3-5-8-17)30(25(32)33-26)19-12-10-18(11-13-19)24(31)29-21-14-16-27-20-9-6-15-28-22(20)21/h3-16,23H,1-2H3,(H,27,29,31)/t23-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231058
PNG
(US9340549, 81)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cc(c[nH]c1=O)-c1ncccn1 |r,wU:7.8,17.22,wD:14.15,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,.19,;4.55,.19,;5.32,1.52,;4.55,2.85,;3.01,2.85,;2.24,4.19,;5.32,-1.15,;4.55,-2.48,;5.32,-3.81,;6.86,-3.81,;7.63,-2.48,;6.86,-1.15,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231123
PNG
(US9340549, 148)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc(n1)-c1ccccc1 |r,wU:7.8,17.22,wD:14.15,(-8.78,-.02,;-7.45,.75,;-8.22,-.58,;-7.45,2.29,;-5.98,2.77,;-5.21,4.1,;-5.08,1.52,;-5.98,.27,;-5.58,-1.21,;-6.67,-2.3,;-6.28,-3.79,;-4.79,-4.19,;-3.7,-3.1,;-4.1,-1.61,;-3.54,1.52,;-2.77,.19,;-1.23,.19,;-.46,1.52,;-1.23,2.85,;-2.77,2.85,;1.08,1.52,;1.85,2.85,;1.08,4.19,;3.39,2.85,;4.16,4.19,;5.7,4.19,;6.47,2.85,;5.7,1.52,;4.16,1.52,;6.47,.19,;5.7,-1.15,;6.47,-2.48,;8.01,-2.48,;8.78,-1.15,;8.01,.19,)|
Show InChI InChI=1S/C28H30N4O3/c1-28(2)24(19-9-5-3-6-10-19)32(27(34)35-28)22-15-13-21(14-16-22)30-26(33)23-17-18-29-25(31-23)20-11-7-4-8-12-20/h3-12,17-18,21-22,24H,13-16H2,1-2H3,(H,30,33)/t21-,22-,24-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231114
PNG
(US9340549, 139)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)C1CC[C@@H](CC1)c1cc2ccncc2[nH]c1=O |r,wU:7.8,17.22,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,.19,;4.55,.19,;5.32,-1.15,;6.86,-1.15,;7.63,.19,;6.86,1.52,;5.32,1.52,;4.55,2.85,;3.01,2.85,;2.24,4.19,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231020
PNG
(US9340549, 37)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ncccc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231018
PNG
(US9340549, 35)
Show SMILES CC1(C)OC(=O)N(C1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccccc2[nH]c1=O |r,w:7.8,wU:14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231065
PNG
(US9340549, 88)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc2ccncc2[nH]c1=O |r|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231120
PNG
(US9340549, 145)
Show SMILES Cn1cc2cccc(C(=O)N[C@H]3CC[C@@H](CC3)N3[C@@H](c4ccccc4)C(C)(C)OC3=O)c2n1 |r,wU:18.19,11.10,wD:14.17,(6.09,-2.39,;6.09,-.85,;7.33,.06,;6.86,1.52,;7.63,2.85,;6.86,4.19,;5.32,4.19,;4.55,2.85,;3.01,2.85,;2.24,4.19,;2.24,1.52,;.7,1.52,;-.07,.19,;-1.61,.19,;-2.38,1.52,;-1.61,2.85,;-.07,2.85,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-6.29,.75,;-7.63,-.02,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;5.32,1.52,;4.84,.06,)|
Show InChI InChI=1S/C26H30N4O3/c1-26(2)23(17-8-5-4-6-9-17)30(25(32)33-26)20-14-12-19(13-15-20)27-24(31)21-11-7-10-18-16-29(3)28-22(18)21/h4-11,16,19-20,23H,12-15H2,1-3H3,(H,27,31)/t19-,20-,23-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231075
PNG
(US9340549, 99)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1nccc(n1)C(N)=N |r,wU:17.22,7.8,wD:14.15,(-7.16,6.16,;-5.83,5.39,;-7.16,4.62,;-4.92,6.64,;-3.46,6.16,;-2.13,6.93,;-3.46,4.62,;-4.92,4.14,;-5.32,2.66,;-6.81,2.26,;-7.21,.77,;-6.12,-.32,;-4.63,.08,;-4.23,1.57,;-2.13,3.85,;-2.13,2.31,;-.79,1.54,;.54,2.31,;.54,3.85,;-.79,4.62,;1.87,1.54,;3.21,2.31,;4.54,1.54,;4.54,,;5.88,-.77,;3.21,-.77,;1.87,,;3.21,-2.31,;1.87,-3.08,;1.87,-4.62,;3.21,-5.39,;4.54,-4.62,;4.54,-3.08,;5.88,-5.39,;7.21,-4.62,;5.88,-6.93,)|
Show InChI InChI=1S/C27H31N7O2/c1-27(2)22(17-6-4-3-5-7-17)34(26(35)36-27)19-10-8-16(9-11-19)18-14-20(24(30)32-15-18)25-31-13-12-21(33-25)23(28)29/h3-7,12-16,19,22H,8-11H2,1-2H3,(H3,28,29)(H2,30,32)/t16-,19-,22-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231106
PNG
(US9340549, 131)
Show SMILES CC1(C)OC(=O)N(C1c1ccccc1)C1CCc(cC1)-c1cnc(N)c(c1)-c1ncccn1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231077
PNG
(US9340549, 101)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1cnnc(Cl)c1 |r|
Show InChI InChI=1S/C26H22ClN5O2/c1-26(2)23(17-6-4-3-5-7-17)32(25(33)34-26)20-10-8-16(9-11-20)18-12-21(24(28)29-14-18)19-13-22(27)31-30-15-19/h3-15,23H,1-2H3,(H2,28,29)/t23-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231015
PNG
(US9340549, 32)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)C(=O)Nc1cccc2cccnc12 |r,wU:7.8,14.15,wD:17.22,(-7.63,.02,;-6.29,.79,;-7.06,-.54,;-6.29,2.33,;-4.83,2.81,;-4.06,4.14,;-3.92,1.56,;-4.83,.32,;-4.43,-1.17,;-5.52,-2.26,;-5.12,-3.75,;-3.63,-4.14,;-2.54,-3.05,;-2.94,-1.57,;-2.38,1.56,;-1.61,2.9,;-.07,2.9,;.7,1.56,;-.07,.23,;-1.61,.23,;2.24,1.56,;3.01,2.9,;3.01,.23,;4.55,.23,;5.32,1.56,;6.86,1.56,;7.63,.23,;6.86,-1.1,;7.63,-2.44,;6.86,-3.77,;5.32,-3.77,;4.55,-2.44,;5.32,-1.1,)|
Show InChI InChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)25(31)29-22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20-,21-,24-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231066
PNG
(US9340549, 89)
Show SMILES CC1(CN([C@H]2CC[C@@H](CC2)n2c3ccncc3[nH]c2=O)C(=O)O1)c1ccccc1 |r,wU:4.3,wD:7.10,(-4.58,-1.5,;-3.81,-.17,;-2.34,-.64,;-1.44,.6,;.1,.6,;.87,1.94,;2.41,1.94,;3.18,.6,;2.41,-.73,;.87,-.73,;4.72,.6,;5.63,-.64,;5.31,-2.15,;6.45,-3.18,;7.92,-2.71,;8.24,-1.2,;7.09,-.17,;7.09,1.37,;5.63,1.85,;4.86,3.18,;-2.34,1.85,;-1.57,3.18,;-3.81,1.37,;-5.35,-.17,;-6.12,1.17,;-7.66,1.17,;-8.43,-.17,;-7.66,-1.5,;-6.12,-1.5,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM230983
PNG
(US9340549, 1)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)C(=O)Nc1ccnc2cccnc12 |r|
Show InChI InChI=1S/C26H22N4O3/c1-26(2)23(17-7-4-3-5-8-17)30(25(32)33-26)19-12-10-18(11-13-19)24(31)29-21-14-16-27-20-9-6-15-28-22(20)21/h3-16,23H,1-2H3,(H,27,29,31)/t23-/m0/s1
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n/an/a 18.3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231148
PNG
(US9340549, 171)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc2cc[nH]c2c1 |r,wU:7.8,17.22,wD:14.15,(-6.24,-3.44,;-5.47,-2.11,;-4.7,-3.44,;-6.37,-.86,;-5.47,.38,;-6.24,1.72,;-4,-.09,;-4,-1.63,;-2.91,-2.72,;-3.31,-4.21,;-2.22,-5.3,;-.73,-4.9,;-.34,-3.41,;-1.42,-2.32,;-2.67,.68,;-1.33,-.09,;,.68,;,2.22,;-1.33,2.99,;-2.67,2.22,;1.33,2.99,;1.33,4.53,;2.67,5.3,;4,4.53,;5.47,5,;6.37,3.76,;5.47,2.51,;4,2.99,;2.67,2.22,)|
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n/an/a 19n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231019
PNG
(US9340549, 36)
Show SMILES CC1(C)OC(=O)N(C1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ncccc2[nH]c1=O |r,w:7.8,wU:14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|
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n/an/a 20.1n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]


(Homo sapiens (Human))		BDBM231008
PNG
(US9340549, 26 | US9340549, 27)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.16,4.23,;-5.83,3.47,;-7.16,2.69,;-4.92,4.71,;-3.46,4.23,;-2.13,5,;-3.46,2.69,;-4.92,2.22,;-5.32,.73,;-6.81,.33,;-7.21,-1.15,;-6.12,-2.24,;-4.63,-1.84,;-4.23,-.36,;-2.13,1.93,;-2.13,.38,;-.79,-.38,;.54,.38,;.54,1.93,;-.79,2.69,;1.87,-.38,;3.21,.38,;3.21,1.93,;4.54,-.38,;5.88,.38,;7.21,-.38,;7.21,-1.93,;5.88,-2.69,;5.88,-4.23,;4.54,-5,;3.21,-4.23,;3.21,-2.69,;4.54,-1.93,)|
Show InChI InChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)29-25(31)22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20-,21-,24-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231008
PNG
(US9340549, 26 | US9340549, 27)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.16,4.23,;-5.83,3.47,;-7.16,2.69,;-4.92,4.71,;-3.46,4.23,;-2.13,5,;-3.46,2.69,;-4.92,2.22,;-5.32,.73,;-6.81,.33,;-7.21,-1.15,;-6.12,-2.24,;-4.63,-1.84,;-4.23,-.36,;-2.13,1.93,;-2.13,.38,;-.79,-.38,;.54,.38,;.54,1.93,;-.79,2.69,;1.87,-.38,;3.21,.38,;3.21,1.93,;4.54,-.38,;5.88,.38,;7.21,-.38,;7.21,-1.93,;5.88,-2.69,;5.88,-4.23,;4.54,-5,;3.21,-4.23,;3.21,-2.69,;4.54,-1.93,)|
Show InChI InChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)29-25(31)22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20-,21-,24-/m0/s1
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n/an/a 22n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM230987
PNG
(US9340549, 5)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CCC(=CC1)c1cc(c[nH]c1=O)-c1ncccn1 |r,c:19|
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n/an/a 24.1n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231115
PNG
(US9340549, 140)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)C1CCN(CC1)c1cnc2ccn(-c3ncccn3)c2c1 |r|
Show InChI InChI=1S/C27H28N6O2/c1-27(2)24(19-7-4-3-5-8-19)33(26(34)35-27)20-9-14-31(15-10-20)21-17-23-22(30-18-21)11-16-32(23)25-28-12-6-13-29-25/h3-8,11-13,16-18,20,24H,9-10,14-15H2,1-2H3/t24-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231035
PNG
(US9340549, 52)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(ncc2[nH]c1=O)C(F)(F)F |r,wU:7.8,17.22,wD:14.15,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,.23,;.86,.23,;1.63,1.56,;.86,2.9,;-.68,2.9,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,;4.51,-3.71,;3.02,-4.1,;4.51,-5.25,;5.84,-4.48,)|
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n/an/a 25.8n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]


(Homo sapiens (Human))		BDBM50444585
PNG
(CHEMBL3099720 | US9340549, 65)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1ncccn1 |r|
Show InChI InChI=1S/C26H23N5O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24/h3-16,22H,1-2H3,(H2,27,30)/t22-/m0/s1
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n/an/a 25.9n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231122
PNG
(US9340549, 147)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2cc[nH]c2n1 |r,wU:7.8,17.22,wD:14.15,(-8.46,-.59,;-7.13,.18,;-7.9,-1.16,;-7.13,1.72,;-5.66,2.19,;-4.89,3.53,;-4.76,.95,;-5.66,-.3,;-5.26,-1.79,;-6.35,-2.87,;-5.95,-4.36,;-4.47,-4.76,;-3.38,-3.67,;-3.78,-2.18,;-3.22,.95,;-2.45,-.39,;-.91,-.39,;-.14,.95,;-.91,2.28,;-2.45,2.28,;1.4,.95,;2.17,2.28,;1.4,3.62,;3.71,2.28,;4.48,.95,;6.02,.95,;6.79,2.28,;8.3,2.6,;8.46,4.13,;7.05,4.76,;6.02,3.62,;4.48,3.62,)|
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n/an/a 26.4n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM230996
PNG
(US9340549, 14)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc2[nH]c(=O)n(-c3ncccn3)c2c1 |r,wU:17.22,wD:7.8,14.15,(-7.97,.64,;-6.64,1.41,;-7.41,.08,;-6.64,2.95,;-5.17,3.43,;-4.4,4.76,;-4.27,2.18,;-5.17,.93,;-4.78,-.55,;-5.86,-1.64,;-5.47,-3.13,;-3.98,-3.53,;-2.89,-2.44,;-3.29,-.95,;-2.73,2.18,;-1.96,.85,;-.42,.85,;.35,2.18,;-.42,3.51,;-1.96,3.51,;1.89,2.18,;2.66,3.51,;4.2,3.51,;4.97,2.18,;6.48,1.86,;6.64,.33,;7.97,-.44,;5.23,-.3,;4.83,-1.79,;3.35,-2.18,;2.95,-3.67,;4.04,-4.76,;5.52,-4.36,;5.92,-2.87,;4.2,.85,;2.66,.85,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM230989
PNG
(US9340549, 7)
Show SMILES CC1(C)OC(=O)N(C1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cc(c[nH]c1=O)-c1ncccn1 |r,w:7.8,wU:17.22,wD:14.15,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,.19,;4.55,.19,;5.32,1.52,;4.55,2.85,;3.01,2.85,;2.24,4.19,;5.32,-1.15,;4.55,-2.48,;5.32,-3.81,;6.86,-3.81,;7.63,-2.48,;6.86,-1.15,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231162
PNG
(US9340549, 182)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1csc(Br)n1 |r,wU:7.8,14.15,wD:17.22,(-7.94,-.02,;-6.6,.75,;-7.37,-.58,;-6.6,2.29,;-5.14,2.77,;-4.37,4.1,;-4.23,1.52,;-5.14,.27,;-4.74,-1.21,;-5.83,-2.3,;-5.43,-3.79,;-3.94,-4.19,;-2.86,-3.1,;-3.25,-1.61,;-2.69,1.52,;-1.93,2.85,;-.38,2.85,;.38,1.52,;-.38,.19,;-1.93,.19,;1.93,1.52,;2.69,2.85,;1.93,4.19,;4.23,2.85,;5.14,4.1,;6.6,3.62,;6.6,2.08,;7.94,1.31,;5.14,1.61,)|
Show InChI InChI=1S/C21H24BrN3O3S/c1-21(2)17(13-6-4-3-5-7-13)25(20(27)28-21)15-10-8-14(9-11-15)23-18(26)16-12-29-19(22)24-16/h3-7,12,14-15,17H,8-11H2,1-2H3,(H,23,26)/t14-,15-,17-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231063
PNG
(US9340549, 86)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:14.15,wD:7.8,17.22,(-7.95,.02,;-6.62,.79,;-7.39,-.54,;-6.62,2.33,;-5.15,2.81,;-4.38,4.14,;-4.25,1.56,;-5.15,.32,;-4.75,-1.17,;-5.84,-2.26,;-5.44,-3.75,;-3.96,-4.14,;-2.87,-3.05,;-3.26,-1.57,;-2.71,1.56,;-1.94,2.9,;-.4,2.9,;.37,1.56,;-.4,.23,;-1.94,.23,;1.91,1.56,;2.82,2.81,;4.28,2.33,;4.28,.79,;2.82,.32,;5.37,-.29,;4.97,-1.78,;6.06,-2.87,;7.55,-2.47,;7.95,-.98,;6.86,.1,)|
Show InChI InChI=1S/C25H27N3O3/c1-25(2)21(17-9-5-3-6-10-17)28(24(29)31-25)20-15-13-19(14-16-20)23-27-26-22(30-23)18-11-7-4-8-12-18/h3-12,19-21H,13-16H2,1-2H3/t19-,20-,21-/m1/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231124
PNG
(US9340549, 149)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2ccncc2[nH]1 |r,wU:7.8,17.22,wD:14.15,(-8.61,-.12,;-7.27,.65,;-8.04,-.69,;-7.27,2.19,;-5.81,2.66,;-5.04,4,;-4.9,1.42,;-5.81,.17,;-5.41,-1.32,;-6.5,-2.41,;-6.1,-3.89,;-4.61,-4.29,;-3.52,-3.2,;-3.92,-1.71,;-3.36,1.42,;-2.59,.08,;-1.05,.08,;-.28,1.42,;-1.05,2.75,;-2.59,2.75,;1.26,1.42,;2.03,2.75,;1.26,4.08,;3.57,2.75,;4.47,4,;5.94,3.52,;7.27,4.29,;8.61,3.52,;8.61,1.98,;7.27,1.21,;5.94,1.98,;4.47,1.51,)|
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n/an/a 34n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231017
PNG
(US9340549, 34)
Show SMILES CC1(CN([C@H]2CC[C@@H](CC2)n2c3ccccc3[nH]c2=O)C(=O)O1)c1ccccc1 |r,wU:4.3,wD:7.10,(-4.48,-1.5,;-3.71,-.17,;-2.25,-.64,;-1.34,.6,;.2,.6,;.97,1.94,;2.51,1.94,;3.28,.6,;2.51,-.73,;.97,-.73,;4.82,.6,;5.72,-.64,;5.4,-2.15,;6.55,-3.18,;8.01,-2.71,;8.33,-1.2,;7.19,-.17,;7.19,1.37,;5.72,1.85,;4.95,3.18,;-2.25,1.85,;-1.48,3.18,;-3.71,1.37,;-5.25,-.17,;-6.02,1.17,;-7.56,1.17,;-8.33,-.17,;-7.56,-1.5,;-6.02,-1.5,)|
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n/an/a 42.8n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231062
PNG
(US9340549, 85)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:7.8,14.15,wD:17.22,(-7.95,.02,;-6.62,.79,;-7.39,-.54,;-6.62,2.33,;-5.15,2.81,;-4.38,4.14,;-4.25,1.56,;-5.15,.32,;-4.75,-1.17,;-5.84,-2.26,;-5.44,-3.75,;-3.96,-4.14,;-2.87,-3.05,;-3.26,-1.57,;-2.71,1.56,;-1.94,2.9,;-.4,2.9,;.37,1.56,;-.4,.23,;-1.94,.23,;1.91,1.56,;2.82,2.81,;4.28,2.33,;4.28,.79,;2.82,.32,;5.37,-.29,;4.97,-1.78,;6.06,-2.87,;7.55,-2.47,;7.95,-.98,;6.86,.1,)|
Show InChI InChI=1S/C25H27N3O3/c1-25(2)21(17-9-5-3-6-10-17)28(24(29)31-25)20-15-13-19(14-16-20)23-27-26-22(30-23)18-11-7-4-8-12-18/h3-12,19-21H,13-16H2,1-2H3/t19-,20-,21-/m0/s1
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n/an/a 45.2n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM230988
PNG
(US9340549, 6)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@@H]1CCC(=CC1)c1cc(c[nH]c1=O)-c1ncccn1 |r,c:19|
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n/an/a 46.8n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]


(Homo sapiens (Human))		BDBM231045
PNG
(US9340549, 64)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C26H22FN5O2/c1-26(2)22(17-6-4-3-5-7-17)32(25(33)34-26)20-10-8-16(9-11-20)18-12-21(23(28)29-13-18)24-30-14-19(27)15-31-24/h3-15,22H,1-2H3,(H2,28,29)/t22-/m0/s1
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n/an/a 48.3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM50444585
PNG
(CHEMBL3099720 | US9340549, 65)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1ncccn1 |r|
Show InChI InChI=1S/C26H23N5O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24/h3-16,22H,1-2H3,(H2,27,30)/t22-/m0/s1
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n/an/a 49n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]


(Homo sapiens (Human))		BDBM230994
PNG
(US9340549, 12)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc2nncn2n1 |r|
Show InChI InChI=1S/C27H23N7O2/c1-27(2)24(18-6-4-3-5-7-18)34(26(35)36-27)20-10-8-17(9-11-20)19-14-21(25(28)29-15-19)22-12-13-23-31-30-16-33(23)32-22/h3-16,24H,1-2H3,(H2,28,29)/t24-/m0/s1
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n/an/a 49.3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231139
PNG
(US9340549, 164)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1coc(n1)-c1ccccc1 |r,wU:7.8,17.22,wD:14.15,(-9.1,-.02,;-7.77,.75,;-8.54,-.58,;-7.77,2.29,;-6.31,2.77,;-5.54,4.1,;-5.4,1.52,;-6.31,.27,;-5.91,-1.21,;-7,-2.3,;-6.6,-3.79,;-5.11,-4.19,;-4.02,-3.1,;-4.42,-1.61,;-3.86,1.52,;-3.09,.19,;-1.55,.19,;-.78,1.52,;-1.55,2.85,;-3.09,2.85,;.76,1.52,;1.53,2.85,;.76,4.19,;3.07,2.85,;3.97,4.1,;5.44,3.62,;5.44,2.08,;3.97,1.61,;6.53,1,;6.13,-.49,;7.22,-1.58,;8.71,-1.18,;9.1,.31,;8.02,1.39,)|
Show InChI InChI=1S/C27H29N3O4/c1-27(2)23(18-9-5-3-6-10-18)30(26(32)34-27)21-15-13-20(14-16-21)28-24(31)22-17-33-25(29-22)19-11-7-4-8-12-19/h3-12,17,20-21,23H,13-16H2,1-2H3,(H,28,31)/t20-,21-,23-/m0/s1
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n/an/a 51.9n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM230994
PNG
(US9340549, 12)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc2nncn2n1 |r|
Show InChI InChI=1S/C27H23N7O2/c1-27(2)24(18-6-4-3-5-7-18)34(26(35)36-27)20-10-8-17(9-11-20)19-14-21(25(28)29-15-19)22-12-13-23-31-30-16-33(23)32-22/h3-16,24H,1-2H3,(H2,28,29)/t24-/m0/s1
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n/an/a 52.1n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]


(Homo sapiens (Human))		BDBM230986
PNG
(US9340549, 4)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(c[nH]c1=O)-c1ncccn1 |r|
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n/an/a 65.9n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231095
PNG
(US9340549, 120)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(c[nH]c1=O)-c1nccc(n1)C#N |r|
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n/an/a 75.8n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231132
PNG
(US9340549, 157)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1nc2ccccc2[nH]1 |r,wU:7.8,17.22,wD:14.15,(-8.61,-.12,;-7.27,.65,;-8.04,-.69,;-7.27,2.19,;-5.81,2.66,;-5.04,4,;-4.9,1.42,;-5.81,.17,;-5.41,-1.32,;-6.5,-2.41,;-6.1,-3.89,;-4.61,-4.29,;-3.52,-3.2,;-3.92,-1.71,;-3.36,1.42,;-2.59,.08,;-1.05,.08,;-.28,1.42,;-1.05,2.75,;-2.59,2.75,;1.26,1.42,;2.03,2.75,;1.26,4.08,;3.57,2.75,;4.47,4,;5.94,3.52,;7.27,4.29,;8.61,3.52,;8.61,1.98,;7.27,1.21,;5.94,1.98,;4.47,1.51,)|
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n/an/a 76.8n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM230986
PNG
(US9340549, 4)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(c[nH]c1=O)-c1ncccn1 |r|
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n/an/a 76.9n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231045
PNG
(US9340549, 64)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C26H22FN5O2/c1-26(2)22(17-6-4-3-5-7-17)32(25(33)34-26)20-10-8-16(9-11-20)18-12-21(23(28)29-13-18)24-30-14-19(27)15-31-24/h3-15,22H,1-2H3,(H2,28,29)/t22-/m0/s1
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n/an/a 85n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231144
PNG
(US9340549, 169)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CCC(=CC1)c1cnc2cc[nH]c2c1 |r,c:19|
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n/an/a 88.6n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231082
PNG
(US9340549, 107)
Show SMILES COc1cccc(c1)[C@@H]1N(C(=O)OC1(C)C)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C28H25N3O4/c1-28(2)25(20-8-4-10-22(17-20)34-3)31(27(33)35-28)21-14-12-19(13-15-21)26(32)30-23-11-5-7-18-9-6-16-29-24(18)23/h4-17,25H,1-3H3,(H,30,32)/t25-/m0/s1
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n/an/a 89.9n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231079
PNG
(US9340549, 104)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(F)cc(F)c2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-7.43,.02,;-6.1,.79,;-6.87,-.54,;-6.1,2.33,;-4.63,2.81,;-3.86,4.14,;-3.73,1.56,;-4.63,.32,;-4.24,-1.17,;-5.32,-2.26,;-4.93,-3.75,;-3.44,-4.14,;-2.35,-3.05,;-2.75,-1.57,;-2.19,1.56,;-1.42,2.9,;.12,2.9,;.89,1.56,;.12,.23,;-1.42,.23,;2.43,1.56,;3.34,.32,;3.02,-1.19,;4.16,-2.22,;3.76,-3.71,;5.63,-1.74,;5.95,-.24,;7.43,.16,;4.8,.79,;4.8,2.33,;3.34,2.81,;2.57,4.14,)|
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n/an/a 93n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231090
PNG
(US9340549, 115)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(c[nH]c1=O)-c1ccccn1 |r|
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n/an/a 95.3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231137
PNG
(US9340549, 162)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cn2ccccc2n1 |r,wU:14.15,wD:7.8,17.22,(-8.61,-.12,;-7.27,.65,;-8.04,-.69,;-7.27,2.19,;-5.81,2.66,;-5.04,4,;-4.9,1.42,;-5.81,.17,;-5.41,-1.32,;-6.5,-2.41,;-6.1,-3.89,;-4.61,-4.29,;-3.52,-3.2,;-3.92,-1.71,;-3.36,1.42,;-2.59,2.75,;-1.05,2.75,;-.28,1.42,;-1.05,.08,;-2.59,.08,;1.26,1.42,;2.03,2.75,;1.26,4.08,;3.57,2.75,;4.47,1.51,;5.94,1.98,;7.27,1.21,;8.61,1.98,;8.61,3.52,;7.27,4.29,;5.94,3.52,;4.47,4,)|
Show InChI InChI=1S/C25H28N4O3/c1-25(2)22(17-8-4-3-5-9-17)29(24(31)32-25)19-13-11-18(12-14-19)26-23(30)20-16-28-15-7-6-10-21(28)27-20/h3-10,15-16,18-19,22H,11-14H2,1-2H3,(H,26,30)/t18-,19-,22-/m1/s1
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n/an/a 101n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM230997
PNG
(US9340549, 15)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-n1c2cnccc2[nH]c1=O |r|
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n/an/a 105n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM230998
PNG
(US9340549, 16)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-n1c2ccncc2[nH]c1=O |r|
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n/an/a 114n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231024
PNG
(US9340549, 41)
Show SMILES Cc1ccccc1[C@@H]1N(C(=O)OC1(C)C)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C28H25N3O3/c1-18-8-4-5-11-22(18)25-28(2,3)34-27(33)31(25)21-15-13-20(14-16-21)26(32)30-23-12-6-9-19-10-7-17-29-24(19)23/h4-17,25H,1-3H3,(H,30,32)/t25-/m0/s1
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n/an/a 116n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231159
PNG
(US9340549, 179)
Show SMILES C[C@@H]1OC(=O)N(C1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:13.14,wD:1.0,16.21,(-7.62,.02,;-6.28,.79,;-6.28,2.33,;-4.82,2.81,;-4.05,4.14,;-3.91,1.56,;-4.82,.32,;-4.42,-1.17,;-5.51,-2.26,;-5.11,-3.75,;-3.62,-4.14,;-2.53,-3.05,;-2.93,-1.57,;-2.37,1.56,;-1.6,2.9,;-.06,2.9,;.71,1.56,;-.06,.23,;-1.6,.23,;2.25,1.56,;3.15,.32,;2.83,-1.19,;3.98,-2.22,;5.44,-1.74,;5.76,-.24,;4.62,.79,;4.62,2.33,;3.15,2.81,;2.38,4.14,;6.58,-2.77,;7.73,-3.8,)|
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n/an/a 129n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231088
PNG
(US9340549, 113)
Show SMILES COc1ccc(cc1)[C@@H]1N(C(=O)OC1(C)C)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C28H25N3O4/c1-28(2)25(19-11-15-22(34-3)16-12-19)31(27(33)35-28)21-13-9-20(10-14-21)26(32)30-23-8-4-6-18-7-5-17-29-24(18)23/h4-17,25H,1-3H3,(H,30,32)/t25-/m0/s1
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n/an/a 130n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231133
PNG
(US9340549, 158)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc[nH]1 |r,wU:7.8,17.22,wD:14.15,(-7.27,-.02,;-5.94,.75,;-6.71,-.58,;-5.94,2.29,;-4.47,2.77,;-3.7,4.1,;-3.57,1.52,;-4.47,.27,;-4.07,-1.21,;-5.16,-2.3,;-4.77,-3.79,;-3.28,-4.19,;-2.19,-3.1,;-2.59,-1.61,;-2.03,1.52,;-1.26,.19,;.28,.19,;1.05,1.52,;.28,2.85,;-1.26,2.85,;2.59,1.52,;3.36,2.85,;2.59,4.19,;4.9,2.85,;5.81,1.61,;7.27,2.08,;7.27,3.62,;5.81,4.1,)|
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n/an/a 142n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231040
PNG
(US9340549, 57)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ncc(cc2[nH]c1=O)C#N |r,wU:7.8,17.22,wD:14.15,(-7.62,.02,;-6.28,.79,;-7.05,-.54,;-6.28,2.33,;-4.82,2.81,;-4.05,4.14,;-3.91,1.56,;-4.82,.32,;-4.42,-1.17,;-5.51,-2.26,;-5.11,-3.75,;-3.62,-4.14,;-2.53,-3.05,;-2.93,-1.57,;-2.37,1.56,;-1.6,.23,;-.06,.23,;.71,1.56,;-.06,2.9,;-1.6,2.9,;2.25,1.56,;3.15,.32,;2.83,-1.19,;3.98,-2.22,;5.44,-1.74,;5.76,-.24,;4.62,.79,;4.62,2.33,;3.15,2.81,;2.38,4.14,;6.58,-2.77,;7.73,-3.8,)|
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n/an/a 143n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231093
PNG
(US9340549, 118)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(c[nH]c1=O)-c1cccnc1 |r|
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n/an/a 150n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231080
PNG
(US9340549, 105)
Show SMILES COc1cccc(c1)C1N(C(=O)OC1(C)C)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |w:8.8|
Show InChI InChI=1S/C28H25N3O4/c1-28(2)25(20-8-4-10-22(17-20)34-3)31(27(33)35-28)21-14-12-19(13-15-21)26(32)30-23-11-5-7-18-9-6-16-29-24(18)23/h4-17,25H,1-3H3,(H,30,32)
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231091
PNG
(US9340549, 116)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(c[nH]c1=O)-c1ncco1 |r|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231053
PNG
(US9340549, 75)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1ncccn1 |r,wU:17.22,wD:7.8,14.15,(-7.63,.02,;-6.29,.79,;-7.06,-.54,;-6.29,2.33,;-4.83,2.81,;-4.06,4.14,;-3.92,1.56,;-4.83,.32,;-4.43,-1.17,;-5.52,-2.26,;-5.12,-3.75,;-3.63,-4.14,;-2.54,-3.05,;-2.94,-1.57,;-2.38,1.56,;-1.61,.23,;-.07,.23,;.7,1.56,;-.07,2.9,;-1.61,2.9,;2.24,1.56,;3.01,2.9,;4.55,2.9,;5.32,1.56,;6.86,1.56,;4.55,.23,;3.01,.23,;5.32,-1.1,;4.55,-2.44,;5.32,-3.77,;6.86,-3.77,;7.63,-2.44,;6.86,-1.1,)|
Show InChI InChI=1S/C26H29N5O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24/h3-8,13-17,20,22H,9-12H2,1-2H3,(H2,27,30)/t17-,20-,22-/m1/s1
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n/an/a 174n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]


(Homo sapiens (Human))		BDBM231011
PNG
(US9340549, 28)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2cccnc12 |r,wU:17.22,wD:14.15,7.8,(-7.16,4.23,;-5.83,3.47,;-7.16,2.69,;-4.92,4.71,;-3.46,4.23,;-2.13,5,;-3.46,2.69,;-4.92,2.22,;-5.32,.73,;-6.81,.33,;-7.21,-1.15,;-6.12,-2.24,;-4.63,-1.84,;-4.23,-.36,;-2.13,1.93,;-2.13,.38,;-.79,-.38,;.54,.38,;.54,1.93,;-.79,2.69,;1.87,-.38,;3.21,.38,;3.21,1.93,;4.54,-.38,;5.88,.38,;7.21,-.38,;7.21,-1.93,;5.88,-2.69,;5.88,-4.23,;4.54,-5,;3.21,-4.23,;3.21,-2.69,;4.54,-1.93,)|
Show InChI InChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)29-25(31)22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20-,21-,24-/m1/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]


(Homo sapiens (Human))		BDBM50434157
PNG
(CHEMBL2381958 | US9340549, 78)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C27H23N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)25(31)29-22-12-6-10-18-11-7-17-28-23(18)22/h3-17,24H,1-2H3,(H,29,31)/t24-/m0/s1
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n/an/a 189n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231085
PNG
(US9340549, 110)
Show SMILES CC1(C)OC(=O)N([C@H]1c1cccc(F)c1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C27H22FN3O3/c1-27(2)24(19-7-3-9-20(28)16-19)31(26(33)34-27)21-13-11-18(12-14-21)25(32)30-22-10-4-6-17-8-5-15-29-23(17)22/h3-16,24H,1-2H3,(H,30,32)/t24-/m0/s1
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n/an/a 193n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231092
PNG
(US9340549, 117)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(cnc1F)-c1cccnc1 |r|
Show InChI InChI=1S/C27H22FN3O2/c1-27(2)24(19-7-4-3-5-8-19)31(26(32)33-27)22-12-10-18(11-13-22)23-15-21(17-30-25(23)28)20-9-6-14-29-16-20/h3-17,24H,1-2H3/t24-/m0/s1
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n/an/a 193n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231059
PNG
(US9340549, 82)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cc(c[nH]c1=O)-c1ncccn1 |r,wU:17.22,wD:7.8,14.15,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,.19,;4.55,.19,;5.32,1.52,;4.55,2.85,;3.01,2.85,;2.24,4.19,;5.32,-1.15,;4.55,-2.48,;5.32,-3.81,;6.86,-3.81,;7.63,-2.48,;6.86,-1.15,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM50434157
PNG
(CHEMBL2381958 | US9340549, 78)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C27H23N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)25(31)29-22-12-6-10-18-11-7-17-28-23(18)22/h3-17,24H,1-2H3,(H,29,31)/t24-/m0/s1
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n/an/a 198n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231117
PNG
(US9340549, 142)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccncc1 |r,wU:17.22,7.8,wD:14.15,(-7.16,3.08,;-5.83,2.31,;-7.16,1.54,;-4.92,3.56,;-3.46,3.08,;-2.13,3.85,;-3.46,1.54,;-4.92,1.06,;-5.32,-.42,;-6.81,-.82,;-7.21,-2.31,;-6.12,-3.4,;-4.63,-3,;-4.23,-1.51,;-2.13,.77,;-2.13,-.77,;-.79,-1.54,;.54,-.77,;.54,.77,;-.79,1.54,;1.87,-1.54,;3.21,-.77,;3.21,.77,;4.54,-1.54,;4.54,-3.08,;5.88,-3.85,;7.21,-3.08,;7.21,-1.54,;5.88,-.77,)|
Show InChI InChI=1S/C23H27N3O3/c1-23(2)20(16-6-4-3-5-7-16)26(22(28)29-23)19-10-8-18(9-11-19)25-21(27)17-12-14-24-15-13-17/h3-7,12-15,18-20H,8-11H2,1-2H3,(H,25,27)/t18-,19-,20-/m0/s1
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n/an/a 205n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231112
PNG
(US9340549, 137)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)C1CC[C@@H](CC1)c1cnc2[nH]ccc2c1 |r,wU:7.8,17.22,(-7.31,.02,;-5.97,.79,;-6.74,-.54,;-5.97,2.33,;-4.51,2.81,;-3.74,4.14,;-3.6,1.56,;-4.51,.32,;-4.11,-1.17,;-5.2,-2.26,;-4.8,-3.75,;-3.31,-4.14,;-2.22,-3.05,;-2.62,-1.57,;-2.06,1.56,;-1.29,.23,;.25,.23,;1.02,1.56,;.25,2.9,;-1.29,2.9,;2.56,1.56,;3.33,2.9,;4.87,2.9,;5.64,1.56,;7.14,1.24,;7.31,-.29,;5.9,-.91,;4.87,.23,;3.33,.23,)|
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n/an/a 218n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231076
PNG
(US9340549, 100)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1cc(Cl)cnn1 |r|
Show InChI InChI=1S/C26H22ClN5O2/c1-26(2)23(17-6-4-3-5-7-17)32(25(33)34-26)20-10-8-16(9-11-20)18-12-21(24(28)29-14-18)22-13-19(27)15-30-31-22/h3-15,23H,1-2H3,(H2,28,29)/t23-/m0/s1
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n/an/a 220n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231138
PNG
(US9340549, 163)
Show SMILES COc1ccccc1C(=O)N[C@H]1CC[C@@H](CC1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r,wU:18.20,11.11,wD:14.18,(5.32,5.52,;4.55,4.19,;5.32,2.85,;6.86,2.85,;7.63,1.52,;6.86,.19,;5.32,.19,;4.55,1.52,;3.01,1.52,;2.24,2.85,;2.24,.19,;.7,.19,;-.07,-1.15,;-1.61,-1.15,;-2.38,.19,;-1.61,1.52,;-.07,1.52,;-3.92,.19,;-4.83,-1.06,;-4.43,-2.55,;-5.52,-3.64,;-5.12,-5.12,;-3.63,-5.52,;-2.54,-4.43,;-2.94,-2.95,;-6.29,-.58,;-7.63,-1.35,;-7.06,-1.92,;-6.29,.96,;-4.83,1.43,;-4.06,2.77,)|
Show InChI InChI=1S/C25H30N2O4/c1-25(2)22(17-9-5-4-6-10-17)27(24(29)31-25)19-15-13-18(14-16-19)26-23(28)20-11-7-8-12-21(20)30-3/h4-12,18-19,22H,13-16H2,1-3H3,(H,26,28)/t18-,19-,22-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231119
PNG
(US9340549, 144)
Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@@H](CC1)N1[C@H](c2ccccc2)C(C)(C)OC1=O |r,wU:16.21,wD:20.23,13.14,(6.09,-2.39,;6.09,-.85,;4.84,.06,;5.32,1.52,;4.55,2.85,;5.32,4.19,;6.86,4.19,;7.63,2.85,;6.86,1.52,;7.33,.06,;3.01,2.85,;2.24,4.19,;2.24,1.52,;.7,1.52,;-.07,2.85,;-1.61,2.85,;-2.38,1.52,;-1.61,.19,;-.07,.19,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-6.29,.75,;-7.63,-.02,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,)|
Show InChI InChI=1S/C26H30N4O3/c1-26(2)23(17-8-5-4-6-9-17)30(25(32)33-26)19-14-12-18(13-15-19)27-24(31)20-10-7-11-22-21(20)16-29(3)28-22/h4-11,16,18-19,23H,12-15H2,1-3H3,(H,27,31)/t18-,19-,23-/m1/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231118
PNG
(US9340549, 143)
Show SMILES Cn1cc(C(=O)N[C@H]2CC[C@@H](CC2)N2[C@@H](c3ccccc3)C(C)(C)OC2=O)c2ccccc12 |r,wU:14.15,7.6,wD:10.13,(7.94,4.29,;6.6,3.52,;5.14,4,;4.23,2.75,;2.69,2.75,;1.93,4.08,;1.93,1.42,;.38,1.42,;-.38,.08,;-1.93,.08,;-2.69,1.42,;-1.93,2.75,;-.38,2.75,;-4.23,1.42,;-5.14,.17,;-4.74,-1.32,;-5.83,-2.41,;-5.43,-3.89,;-3.94,-4.29,;-2.86,-3.2,;-3.25,-1.71,;-6.6,.65,;-7.94,-.12,;-7.37,-.69,;-6.6,2.19,;-5.14,2.66,;-4.37,4,;5.14,1.51,;4.82,-0,;5.96,-1.03,;7.43,-.56,;7.75,.95,;6.6,1.98,)|
Show InChI InChI=1S/C27H31N3O3/c1-27(2)24(18-9-5-4-6-10-18)30(26(32)33-27)20-15-13-19(14-16-20)28-25(31)22-17-29(3)23-12-8-7-11-21(22)23/h4-12,17,19-20,24H,13-16H2,1-3H3,(H,28,31)/t19-,20-,24-/m0/s1
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n/an/a 225n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231098
PNG
(US9340549, 123)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccn1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C26H22N4O3/c1-26(2)23(21-9-3-4-15-27-21)30(25(32)33-26)19-13-11-18(12-14-19)24(31)29-20-10-5-7-17-8-6-16-28-22(17)20/h3-16,23H,1-2H3,(H,29,31)/t23-/m0/s1
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n/an/a 228n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231127
PNG
(US9340549, 152)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc2[nH]ccc12 |r,wU:7.8,17.22,wD:14.15,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,2.85,;2.24,4.19,;4.55,2.85,;5.32,4.19,;6.86,4.19,;7.63,2.85,;6.86,1.52,;7.33,.06,;6.09,-.85,;4.84,.06,;5.32,1.52,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231006
PNG
(US9340549, 24)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccncc2[nH]c1=O |r,wU:14.15,wD:7.8,17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|
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n/an/a 249n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231140
PNG
(US9340549, 165)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccncn1 |r,wU:7.8,17.22,wD:14.15,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,2.85,;2.24,4.19,;4.55,2.85,;5.32,4.19,;6.86,4.19,;7.63,2.85,;6.86,1.52,;5.32,1.52,)|
Show InChI InChI=1S/C22H26N4O3/c1-22(2)19(15-6-4-3-5-7-15)26(21(28)29-22)17-10-8-16(9-11-17)25-20(27)18-12-13-23-14-24-18/h3-7,12-14,16-17,19H,8-11H2,1-2H3,(H,25,27)/t16-,17-,19-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231025
PNG
(US9340549, 42)
Show SMILES CC1(C)OC(=O)N(C1c1ccccc1F)c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C27H22FN3O3/c1-27(2)24(20-9-3-4-10-21(20)28)31(26(33)34-27)19-14-12-18(13-15-19)25(32)30-22-11-5-7-17-8-6-16-29-23(17)22/h3-16,24H,1-2H3,(H,30,32)
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231073
PNG
(US9340549, 97)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1c[nH]c(=O)c(c1)-c1ncccn1 |r,wU:17.22,7.8,wD:14.15,(-6.5,5.39,;-5.16,4.62,;-6.5,3.85,;-4.26,5.87,;-2.79,5.39,;-1.46,6.16,;-2.79,3.85,;-4.26,3.37,;-4.66,1.89,;-6.14,1.49,;-6.54,0,;-5.45,-1.09,;-3.97,-.69,;-3.57,.8,;-1.46,3.08,;-1.46,1.54,;-.13,.77,;1.21,1.54,;1.21,3.08,;-.13,3.85,;2.54,.77,;3.88,1.54,;5.21,.77,;5.21,-.77,;6.54,-1.54,;3.88,-1.54,;2.54,-.77,;3.88,-3.08,;2.54,-3.85,;2.54,-5.39,;3.88,-6.16,;5.21,-5.39,;5.21,-3.85,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231071
PNG
(US9340549, 94)
Show SMILES C[C@@]1(CN([C@H]2CC[C@@H](CC2)n2c3ccc(cc3[nH]c2=O)C#N)C(=O)O1)c1ccccc1 |r,wU:4.3,1.0,wD:7.10,(-4.54,5.69,;-3.2,4.92,;-2.3,3.67,;-.83,4.15,;.5,3.38,;1.83,4.15,;3.17,3.38,;3.17,1.84,;1.83,1.07,;.5,1.84,;4.5,1.07,;4.5,-.47,;3.36,-1.5,;3.68,-3.01,;5.14,-3.48,;6.28,-2.45,;5.96,-.95,;6.87,.3,;5.96,1.54,;6.73,2.88,;5.54,-4.97,;5.94,-6.46,;-.83,5.69,;.5,6.46,;-2.3,6.16,;-4.29,3.83,;-5.78,4.23,;-6.87,3.14,;-6.47,1.65,;-4.98,1.25,;-3.89,2.34,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231101
PNG
(US9340549, 126)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccncc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C26H22N4O3/c1-26(2)23(18-12-15-27-16-13-18)30(25(32)33-26)20-10-8-19(9-11-20)24(31)29-21-7-3-5-17-6-4-14-28-22(17)21/h3-16,23H,1-2H3,(H,29,31)/t23-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231102
PNG
(US9340549, 127)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-n1cc(ccc1=O)-c1ncccn1 |r|
Show InChI InChI=1S/C26H22N4O3/c1-26(2)23(18-7-4-3-5-8-18)30(25(32)33-26)21-12-10-20(11-13-21)29-17-19(9-14-22(29)31)24-27-15-6-16-28-24/h3-17,23H,1-2H3/t23-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM230984
PNG
(US9340549, 2)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccc(F)cc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C27H22FN3O3/c1-27(2)24(18-8-12-20(28)13-9-18)31(26(33)34-27)21-14-10-19(11-15-21)25(32)30-22-7-3-5-17-6-4-16-29-23(17)22/h3-16,24H,1-2H3,(H,30,32)/t24-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231096
PNG
(US9340549, 121)
Show SMILES CC1(C)OC(=O)N(C1c1ccccn1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |w:7.8|
Show InChI InChI=1S/C26H22N4O3/c1-26(2)23(21-9-3-4-15-27-21)30(25(32)33-26)19-13-11-18(12-14-19)24(31)29-20-10-5-7-17-8-6-16-28-22(17)20/h3-16,23H,1-2H3,(H,29,31)
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231011
PNG
(US9340549, 28)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2cccnc12 |r,wU:17.22,wD:14.15,7.8,(-7.16,4.23,;-5.83,3.47,;-7.16,2.69,;-4.92,4.71,;-3.46,4.23,;-2.13,5,;-3.46,2.69,;-4.92,2.22,;-5.32,.73,;-6.81,.33,;-7.21,-1.15,;-6.12,-2.24,;-4.63,-1.84,;-4.23,-.36,;-2.13,1.93,;-2.13,.38,;-.79,-.38,;.54,.38,;.54,1.93,;-.79,2.69,;1.87,-.38,;3.21,.38,;3.21,1.93,;4.54,-.38,;5.88,.38,;7.21,-.38,;7.21,-1.93,;5.88,-2.69,;5.88,-4.23,;4.54,-5,;3.21,-4.23,;3.21,-2.69,;4.54,-1.93,)|
Show InChI InChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)29-25(31)22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20-,21-,24-/m1/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231136
PNG
(US9340549, 161)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cnn(c1)-c1ccccc1 |r,wU:7.8,17.22,wD:14.15,(-9.1,-.02,;-7.77,.75,;-8.54,-.58,;-7.77,2.29,;-6.31,2.77,;-5.54,4.1,;-5.4,1.52,;-6.31,.27,;-5.91,-1.21,;-7,-2.3,;-6.6,-3.79,;-5.11,-4.19,;-4.02,-3.1,;-4.42,-1.61,;-3.86,1.52,;-3.09,.19,;-1.55,.19,;-.78,1.52,;-1.55,2.85,;-3.09,2.85,;.76,1.52,;1.53,2.85,;.76,4.19,;3.07,2.85,;3.97,4.1,;5.44,3.62,;5.44,2.08,;3.97,1.61,;6.53,1,;6.13,-.49,;7.22,-1.58,;8.71,-1.18,;9.1,.31,;8.02,1.39,)|
Show InChI InChI=1S/C27H30N4O3/c1-27(2)24(19-9-5-3-6-10-19)31(26(33)34-27)23-15-13-21(14-16-23)29-25(32)20-17-28-30(18-20)22-11-7-4-8-12-22/h3-12,17-18,21,23-24H,13-16H2,1-2H3,(H,29,32)/t21-,23-,24-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231052
PNG
(US9340549, 72)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@H](CC1)c1cnc(N)c(c1)-c1ncccn1 |r,wU:7.8,wD:14.15,17.22,(-6.5,5.39,;-5.16,4.62,;-6.5,3.85,;-4.26,5.87,;-2.79,5.39,;-1.46,6.16,;-2.79,3.85,;-4.26,3.37,;-4.66,1.89,;-6.14,1.49,;-6.54,0,;-5.45,-1.09,;-3.97,-.69,;-3.57,.8,;-1.46,3.08,;-1.46,1.54,;-.13,.77,;1.21,1.54,;1.21,3.08,;-.13,3.85,;2.54,.77,;3.88,1.54,;5.21,.77,;5.21,-.77,;6.54,-1.54,;3.88,-1.54,;2.54,-.77,;3.88,-3.08,;2.54,-3.85,;2.54,-5.39,;3.88,-6.16,;5.21,-5.39,;5.21,-3.85,)|
Show InChI InChI=1S/C26H29N5O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24/h3-8,13-17,20,22H,9-12H2,1-2H3,(H2,27,30)/t17-,20+,22-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231014
PNG
(US9340549, 31)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cccnc2[nH]c1=O |r,wU:14.15,wD:7.8,17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM230985
PNG
(US9340549, 3)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(cnc1F)-c1ncccn1 |r|
Show InChI InChI=1S/C26H21FN4O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)21-15-19(16-30-23(21)27)24-28-13-6-14-29-24/h3-16,22H,1-2H3/t22-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM230993
PNG
(US9340549, 11)
Show SMILES CC1(C)OC(=O)N([C@H]1c1cccnc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C26H22N4O3/c1-26(2)23(19-8-4-14-27-16-19)30(25(32)33-26)20-12-10-18(11-13-20)24(31)29-21-9-3-6-17-7-5-15-28-22(17)21/h3-16,23H,1-2H3,(H,29,31)/t23-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231089
PNG
(US9340549, 114)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(cnc1F)-c1ccccn1 |r|
Show InChI InChI=1S/C27H22FN3O2/c1-27(2)24(19-8-4-3-5-9-19)31(26(32)33-27)21-13-11-18(12-14-21)22-16-20(17-30-25(22)28)23-10-6-7-15-29-23/h3-17,24H,1-2H3/t24-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231022
PNG
(US9340549, 39)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccncc2n(CC(F)F)c1=O |r,wU:7.8,17.22,wD:14.15,(-8.12,.02,;-6.78,.79,;-7.55,-.54,;-6.78,2.33,;-5.32,2.81,;-4.55,4.14,;-4.41,1.56,;-5.32,.32,;-4.92,-1.17,;-6.01,-2.26,;-5.61,-3.75,;-4.12,-4.14,;-3.03,-3.05,;-3.43,-1.57,;-2.87,1.56,;-2.1,.23,;-.56,.23,;.21,1.56,;-.56,2.9,;-2.1,2.9,;1.75,1.56,;2.65,.32,;2.33,-1.19,;3.48,-2.22,;4.94,-1.74,;5.26,-.24,;4.12,.79,;4.12,2.33,;5.45,3.1,;6.78,2.33,;8.12,3.1,;6.78,.79,;2.65,2.81,;1.88,4.14,)|
Show InChI InChI=1S/C25H28F2N4O3/c1-25(2)22(16-6-4-3-5-7-16)31(24(33)34-25)18-10-8-17(9-11-18)30-19-12-13-28-14-20(19)29(23(30)32)15-21(26)27/h3-7,12-14,17-18,21-22H,8-11,15H2,1-2H3/t17-,18-,22-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231021
PNG
(US9340549, 38)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ncccc2[nH]c1=O |r,wU:14.15,wD:7.8,17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231061
PNG
(US9340549, 84)
Show SMILES CC1(C)OC(=O)N(C1c1ccccc1)[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:14.15,wD:17.22,(-7.95,.02,;-6.62,.79,;-7.39,-.54,;-6.62,2.33,;-5.15,2.81,;-4.38,4.14,;-4.25,1.56,;-5.15,.32,;-4.75,-1.17,;-5.84,-2.26,;-5.44,-3.75,;-3.96,-4.14,;-2.87,-3.05,;-3.26,-1.57,;-2.71,1.56,;-1.94,2.9,;-.4,2.9,;.37,1.56,;-.4,.23,;-1.94,.23,;1.91,1.56,;2.82,2.81,;4.28,2.33,;4.28,.79,;2.82,.32,;5.37,-.29,;4.97,-1.78,;6.06,-2.87,;7.55,-2.47,;7.95,-.98,;6.86,.1,)|
Show InChI InChI=1S/C25H27N3O3/c1-25(2)21(17-9-5-3-6-10-17)28(24(29)31-25)20-15-13-19(14-16-20)23-27-26-22(30-23)18-11-7-4-8-12-18/h3-12,19-21H,13-16H2,1-2H3/t19-,20-,21?
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231051
PNG
(US9340549, 71)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccn2c(Nc3ccnc4cccnc34)nnc2c1 |r|
Show InChI InChI=1S/C25H21N7O2/c1-25(2)22(16-7-4-3-5-8-16)32(24(33)34-25)17-11-14-31-20(15-17)29-30-23(31)28-19-10-13-26-18-9-6-12-27-21(18)19/h3-15,22H,1-2H3,(H,26,28,30)/t22-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231072
PNG
(US9340549, 96)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@H](CC1)c1c[nH]c(=O)c(c1)-c1ncccn1 |r,wU:7.8,wD:14.15,17.22,(-6.5,5.39,;-5.16,4.62,;-6.5,3.85,;-4.26,5.87,;-2.79,5.39,;-1.46,6.16,;-2.79,3.85,;-4.26,3.37,;-4.66,1.89,;-6.14,1.49,;-6.54,0,;-5.45,-1.09,;-3.97,-.69,;-3.57,.8,;-1.46,3.08,;-1.46,1.54,;-.13,.77,;1.21,1.54,;1.21,3.08,;-.13,3.85,;2.54,.77,;3.88,1.54,;5.21,.77,;5.21,-.77,;6.54,-1.54,;3.88,-1.54,;2.54,-.77,;3.88,-3.08,;2.54,-3.85,;2.54,-5.39,;3.88,-6.16,;5.21,-5.39,;5.21,-3.85,)|
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n/an/a 511n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231130
PNG
(US9340549, 155)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2ccccc2c1 |r,wU:14.15,wD:7.8,17.22,(-8.78,-.02,;-7.45,.75,;-8.22,-.58,;-7.45,2.29,;-5.98,2.77,;-5.21,4.1,;-5.08,1.52,;-5.98,.27,;-5.58,-1.21,;-6.67,-2.3,;-6.28,-3.79,;-4.79,-4.19,;-3.7,-3.1,;-4.1,-1.61,;-3.54,1.52,;-2.77,2.85,;-1.23,2.85,;-.46,1.52,;-1.23,.19,;-2.77,.19,;1.08,1.52,;1.85,2.85,;1.08,4.19,;3.39,2.85,;4.16,4.19,;5.7,4.19,;6.47,2.85,;8.01,2.85,;8.78,1.52,;8.01,.19,;6.47,.19,;5.7,1.52,;4.16,1.52,)|
Show InChI InChI=1S/C27H29N3O3/c1-27(2)24(18-8-4-3-5-9-18)30(26(32)33-27)22-14-12-21(13-15-22)29-25(31)20-16-19-10-6-7-11-23(19)28-17-20/h3-11,16-17,21-22,24H,12-15H2,1-2H3,(H,29,31)/t21-,22-,24-/m1/s1
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n/an/a 548n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231083
PNG
(US9340549, 108)
Show SMILES CC1(C)OC(=O)N(C1c1cccc(F)c1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |w:7.8|
Show InChI InChI=1S/C27H22FN3O3/c1-27(2)24(19-7-3-9-20(28)16-19)31(26(33)34-27)21-13-11-18(12-14-21)25(32)30-22-10-4-6-17-8-5-15-29-23(17)22/h3-16,24H,1-2H3,(H,30,32)
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231031
PNG
(US9340549, 48)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)N1C(=O)C(F)(F)c2ccccc12 |r,wU:7.8,17.22,wD:14.15,(-6.78,.02,;-5.45,.79,;-6.22,-.54,;-5.45,2.33,;-3.99,2.81,;-3.22,4.14,;-3.08,1.56,;-3.99,.32,;-3.59,-1.17,;-4.68,-2.26,;-4.28,-3.75,;-2.79,-4.14,;-1.7,-3.05,;-2.1,-1.57,;-1.54,1.56,;-.77,.23,;.77,.23,;1.54,1.56,;.77,2.9,;-.77,2.9,;3.08,1.56,;3.99,2.81,;3.22,4.14,;5.45,2.33,;6.78,3.1,;6.22,3.67,;5.45,.79,;6.59,-.24,;6.27,-1.74,;4.81,-2.22,;3.67,-1.19,;3.99,.32,)|
Show InChI InChI=1S/C25H26F2N2O3/c1-24(2)21(16-8-4-3-5-9-16)29(23(31)32-24)18-14-12-17(13-15-18)28-20-11-7-6-10-19(20)25(26,27)22(28)30/h3-11,17-18,21H,12-15H2,1-2H3/t17-,18-,21-/m0/s1
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n/an/a 617n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231023
PNG
(US9340549, 40)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(cnn1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H22N4O2/c1-26(2)24(19-8-4-3-5-9-19)30(25(31)32-26)21-13-11-18(12-14-21)23-16-20(17-28-29-23)22-10-6-7-15-27-22/h3-17,24H,1-2H3/t24-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231086
PNG
(US9340549, 111)
Show SMILES COc1ccc(cc1)C1N(C(=O)OC1(C)C)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |w:8.8|
Show InChI InChI=1S/C28H25N3O4/c1-28(2)25(19-11-15-22(34-3)16-12-19)31(27(33)35-28)21-13-9-20(10-14-21)26(32)30-23-8-4-6-18-7-5-17-29-24(18)23/h4-17,25H,1-3H3,(H,30,32)
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231103
PNG
(US9340549, 128)
Show SMILES Cc1cc(ccc1C(=O)Nc1ccnc2cccnc12)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r|
Show InChI InChI=1S/C27H24N4O3/c1-17-16-19(31-24(18-8-5-4-6-9-18)27(2,3)34-26(31)33)11-12-20(17)25(32)30-22-13-15-28-21-10-7-14-29-23(21)22/h4-16,24H,1-3H3,(H,28,30,32)/t24-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231161
PNG
(US9340549, 181)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1ncc2cc(ccc12)C#N |r,wU:7.8,14.15,wD:17.22,(-7.62,.02,;-6.28,.79,;-7.05,-.54,;-6.28,2.33,;-4.82,2.81,;-4.05,4.14,;-3.91,1.56,;-4.82,.32,;-4.42,-1.17,;-5.51,-2.26,;-5.11,-3.75,;-3.62,-4.14,;-2.53,-3.05,;-2.93,-1.57,;-2.37,1.56,;-1.6,2.9,;-.06,2.9,;.71,1.56,;-.06,.23,;-1.6,.23,;2.25,1.56,;3.15,2.81,;4.62,2.33,;4.62,.79,;5.76,-.24,;5.44,-1.74,;3.98,-2.22,;2.83,-1.19,;3.15,.32,;6.53,-2.83,;7.62,-3.92,)|
Show InChI InChI=1S/C25H26N4O2/c1-25(2)23(18-6-4-3-5-7-18)28(24(30)31-25)20-9-11-21(12-10-20)29-22-13-8-17(15-26)14-19(22)16-27-29/h3-8,13-14,16,20-21,23H,9-12H2,1-2H3/t20-,21-,23-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231116
PNG
(US9340549, 141)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1 |r,wU:17.22,7.8,wD:14.15,(-7.16,3.08,;-5.83,2.31,;-7.16,1.54,;-4.92,3.56,;-3.46,3.08,;-2.13,3.85,;-3.46,1.54,;-4.92,1.06,;-5.32,-.42,;-6.81,-.82,;-7.21,-2.31,;-6.12,-3.4,;-4.63,-3,;-4.23,-1.51,;-2.13,.77,;-2.13,-.77,;-.79,-1.54,;.54,-.77,;.54,.77,;-.79,1.54,;1.87,-1.54,;3.21,-.77,;3.21,.77,;4.54,-1.54,;4.54,-3.08,;5.88,-3.85,;7.21,-3.08,;7.21,-1.54,;5.88,-.77,)|
Show InChI InChI=1S/C24H28N2O3/c1-24(2)21(17-9-5-3-6-10-17)26(23(28)29-24)20-15-13-19(14-16-20)25-22(27)18-11-7-4-8-12-18/h3-12,19-21H,13-16H2,1-2H3,(H,25,27)/t19-,20-,21-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231099
PNG
(US9340549, 124)
Show SMILES CC1(C)OC(=O)N(C1c1ccncc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |w:7.8|
Show InChI InChI=1S/C26H22N4O3/c1-26(2)23(18-12-15-27-16-13-18)30(25(32)33-26)20-10-8-19(9-11-20)24(31)29-21-7-3-5-17-6-4-14-28-22(17)21/h3-16,23H,1-2H3,(H,29,31)
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231067
PNG
(US9340549, 90)
Show SMILES C[C@]1(CN([C@H]2CC[C@@H](CC2)n2c3ccncc3[nH]c2=O)C(=O)O1)c1ccccc1 |r,wU:4.3,wD:1.0,7.10,(-4.58,-1.5,;-3.81,-.17,;-2.34,-.64,;-1.44,.6,;.1,.6,;.87,1.94,;2.41,1.94,;3.18,.6,;2.41,-.73,;.87,-.73,;4.72,.6,;5.63,-.64,;5.31,-2.15,;6.45,-3.18,;7.92,-2.71,;8.24,-1.2,;7.09,-.17,;7.09,1.37,;5.63,1.85,;4.86,3.18,;-2.34,1.85,;-1.57,3.18,;-3.81,1.37,;-5.35,-.17,;-6.12,1.17,;-7.66,1.17,;-8.43,-.17,;-7.66,-1.5,;-6.12,-1.5,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231105
PNG
(US9340549, 130)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cc(c[nH]c1=O)C1=NCCCN1 |r,wU:7.8,17.22,wD:14.15,t:31,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,.19,;4.55,.19,;5.32,1.52,;4.55,2.85,;3.01,2.85,;2.24,4.19,;5.32,-1.15,;4.55,-2.48,;5.32,-3.81,;6.86,-3.81,;7.63,-2.48,;6.86,-1.15,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231026
PNG
(US9340549, 43)
Show SMILES CCC1(CC)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C29H27N3O3/c1-3-29(4-2)26(21-10-6-5-7-11-21)32(28(34)35-29)23-17-15-22(16-18-23)27(33)31-24-14-8-12-20-13-9-19-30-25(20)24/h5-19,26H,3-4H2,1-2H3,(H,31,33)/t26-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231027
PNG
(US9340549, 44)
Show SMILES O=C(Nc1cccc2cccnc12)c1ccc(cc1)N1C(c2ccccc2)C2(CCC2)OC1=O
Show InChI InChI=1S/C28H23N3O3/c32-26(30-23-11-4-9-19-10-5-18-29-24(19)23)21-12-14-22(15-13-21)31-25(20-7-2-1-3-8-20)28(16-6-17-28)34-27(31)33/h1-5,7-15,18,25H,6,16-17H2,(H,30,32)
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231128
PNG
(US9340549, 153)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2[nH]ncc12 |r,wU:7.8,17.22,wD:14.15,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,2.85,;2.24,4.19,;4.55,2.85,;5.32,4.19,;6.86,4.19,;7.63,2.85,;6.86,1.52,;7.33,.06,;6.09,-.85,;4.84,.06,;5.32,1.52,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231001
PNG
(US9340549, 19)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-n1c2ccccc2[nH]c1=O |r|
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n/an/a 863n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231160
PNG
(US9340549, 180)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1ncc2cc(ccc12)C#N |r,wU:14.15,wD:7.8,17.22,(-7.62,.02,;-6.28,.79,;-7.05,-.54,;-6.28,2.33,;-4.82,2.81,;-4.05,4.14,;-3.91,1.56,;-4.82,.32,;-4.42,-1.17,;-5.51,-2.26,;-5.11,-3.75,;-3.62,-4.14,;-2.53,-3.05,;-2.93,-1.57,;-2.37,1.56,;-1.6,2.9,;-.06,2.9,;.71,1.56,;-.06,.23,;-1.6,.23,;2.25,1.56,;3.15,2.81,;4.62,2.33,;4.62,.79,;5.76,-.24,;5.44,-1.74,;3.98,-2.22,;2.83,-1.19,;3.15,.32,;6.53,-2.83,;7.62,-3.92,)|
Show InChI InChI=1S/C25H26N4O2/c1-25(2)23(18-6-4-3-5-7-18)28(24(30)31-25)20-9-11-21(12-10-20)29-22-13-8-17(15-26)14-19(22)16-27-29/h3-8,13-14,16,20-21,23H,9-12H2,1-2H3/t20-,21-,23-/m1/s1
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n/an/a 915n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231078
PNG
(US9340549, 102)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1nccc(n1)C#N |r|
Show InChI InChI=1S/C27H22N6O2/c1-27(2)23(18-6-4-3-5-7-18)33(26(34)35-27)21-10-8-17(9-11-21)19-14-22(24(29)31-16-19)25-30-13-12-20(15-28)32-25/h3-14,16,23H,1-2H3,(H2,29,31)/t23-/m0/s1
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n/an/a 920n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231000
PNG
(US9340549, 18)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)N1C(=O)Cc2ccccc12 |r|
Show InChI InChI=1S/C25H22N2O3/c1-25(2)23(17-8-4-3-5-9-17)27(24(29)30-25)20-14-12-19(13-15-20)26-21-11-7-6-10-18(21)16-22(26)28/h3-15,23H,16H2,1-2H3/t23-/m0/s1
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n/an/a 973n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231157
PNG
(US9340549, 177)
Show SMILES CC1(C)OC(=O)N([C@H]2CC(C2)c2nnc(o2)-c2ccccc2)[C@H]1c1ccccc1 |r,wU:22.26,7.6,(-7.13,-1.48,;-6.36,-.14,;-7.69,-.91,;-6.83,1.32,;-5.59,2.23,;-5.59,3.77,;-4.34,1.32,;-2.85,1.72,;-2.08,3.05,;-.75,2.28,;-1.52,.95,;.74,2.68,;1.21,4.15,;2.75,4.15,;3.23,2.68,;1.98,1.78,;4.72,2.28,;5.11,.79,;6.6,.4,;7.69,1.49,;7.29,2.97,;5.81,3.37,;-4.82,-.14,;-4.05,-1.48,;-4.82,-2.81,;-4.05,-4.15,;-2.51,-4.15,;-1.74,-2.81,;-2.51,-1.48,)|
Show InChI InChI=1S/C23H23N3O3/c1-23(2)19(15-9-5-3-6-10-15)26(22(27)29-23)18-13-17(14-18)21-25-24-20(28-21)16-11-7-4-8-12-16/h3-12,17-19H,13-14H2,1-2H3/t17?,18-,19-/m0/s1
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n/an/a 1.02E+3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM230991
PNG
(US9340549, 9)
Show SMILES CC1(C)OC(=O)N(C1c1cccnc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |w:7.8|
Show InChI InChI=1S/C26H22N4O3/c1-26(2)23(19-8-4-14-27-16-19)30(25(32)33-26)20-12-10-18(11-13-20)24(31)29-21-9-3-6-17-7-5-15-28-22(17)21/h3-16,23H,1-2H3,(H,29,31)
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n/an/a 1.16E+3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231149
PNG
(US9340549, 172)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@H](CC1)c1cnc2cc[nH]c2c1 |r,wU:7.8,wD:14.15,17.22,(-6.24,-3.44,;-5.47,-2.11,;-4.7,-3.44,;-6.37,-.86,;-5.47,.38,;-6.24,1.72,;-4,-.09,;-4,-1.63,;-2.91,-2.72,;-3.31,-4.21,;-2.22,-5.3,;-.73,-4.9,;-.34,-3.41,;-1.42,-2.32,;-2.67,.68,;-1.33,-.09,;,.68,;,2.22,;-1.33,2.99,;-2.67,2.22,;1.33,2.99,;1.33,4.53,;2.67,5.3,;4,4.53,;5.47,5,;6.37,3.76,;5.47,2.51,;4,2.99,;2.67,2.22,)|
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n/an/a 1.25E+3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231028
PNG
(US9340549, 45)
Show SMILES O=C(Nc1cccc2cccnc12)c1ccc(cc1)N1C(c2ccccc2)C2(CCCC2)OC1=O
Show InChI InChI=1S/C29H25N3O3/c33-27(31-24-12-6-10-20-11-7-19-30-25(20)24)22-13-15-23(16-14-22)32-26(21-8-2-1-3-9-21)29(35-28(32)34)17-4-5-18-29/h1-3,6-16,19,26H,4-5,17-18H2,(H,31,33)
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n/an/a 1.25E+3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231113
PNG
(US9340549, 138)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)C1CC[C@@H](CC1)c1cc2ccncc2[nH]c1=O |r,wU:7.8,wD:17.22,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,2.85,;-.07,2.85,;.7,1.52,;-.07,.19,;-1.61,.19,;2.24,1.52,;3.01,.19,;4.55,.19,;5.32,-1.15,;6.86,-1.15,;7.63,.19,;6.86,1.52,;5.32,1.52,;4.55,2.85,;3.01,2.85,;2.24,4.19,)|
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n/an/a 1.25E+3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231003
PNG
(US9340549, 21)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)C(=O)Nc1cnccc1O |r|
Show InChI InChI=1S/C23H21N3O4/c1-23(2)20(15-6-4-3-5-7-15)26(22(29)30-23)17-10-8-16(9-11-17)21(28)25-18-14-24-13-12-19(18)27/h3-14,20H,1-2H3,(H,24,27)(H,25,28)/t20-/m0/s1
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n/an/a 1.34E+3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231094
PNG
(US9340549, 119)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1ccc[nH]c1=O |r|
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n/an/a 1.35E+3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231108
PNG
(US9340549, 133)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)C1CC[C@@H](CC1)c1cccnc1 |r,wU:7.8,17.22,(-6.47,.02,;-5.14,.79,;-5.91,-.54,;-5.14,2.33,;-3.67,2.81,;-2.9,4.14,;-2.77,1.56,;-3.67,.32,;-3.27,-1.17,;-4.36,-2.26,;-3.97,-3.75,;-2.48,-4.14,;-1.39,-3.05,;-1.79,-1.57,;-1.23,1.56,;-.46,.23,;1.08,.23,;1.85,1.56,;1.08,2.9,;-.46,2.9,;3.39,1.56,;4.16,.23,;5.7,.23,;6.47,1.56,;5.7,2.9,;4.16,2.9,)|
Show InChI InChI=1S/C22H26N2O2/c1-22(2)20(17-7-4-3-5-8-17)24(21(25)26-22)19-12-10-16(11-13-19)18-9-6-14-23-15-18/h3-9,14-16,19-20H,10-13H2,1-2H3/t16-,19?,20-/m0/s1
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n/an/a 1.38E+3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231110
PNG
(US9340549, 135)
Show SMILES Cc1ccc(cn1)[C@H]1CCC(CC1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r,wU:14.16,7.7,(7.3,1.56,;5.76,1.56,;4.93,.23,;3.39,.23,;2.62,1.56,;3.39,2.9,;4.93,2.9,;1.08,1.56,;.31,.23,;-1.23,.23,;-2,1.56,;-1.23,2.9,;.31,2.9,;-3.54,1.56,;-4.44,.32,;-4.04,-1.17,;-5.13,-2.26,;-4.74,-3.75,;-3.25,-4.14,;-2.16,-3.05,;-2.56,-1.57,;-5.91,.79,;-7.24,.02,;-6.68,-.54,;-5.91,2.33,;-4.44,2.81,;-3.67,4.14,)|
Show InChI InChI=1S/C23H28N2O2/c1-16-9-10-19(15-24-16)17-11-13-20(14-12-17)25-21(18-7-5-4-6-8-18)23(2,3)27-22(25)26/h4-10,15,17,20-21H,11-14H2,1-3H3/t17-,20?,21-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231004
PNG
(US9340549, 22)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(nc1)-n1c2ccccc2[nH]c1=O |r|
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n/an/a 1.43E+3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231135
PNG
(US9340549, 160)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1nccs1 |r,wU:7.8,17.22,wD:14.15,(-7.27,-.02,;-5.94,.75,;-6.71,-.58,;-5.94,2.29,;-4.47,2.77,;-3.7,4.1,;-3.57,1.52,;-4.47,.27,;-4.07,-1.21,;-5.16,-2.3,;-4.77,-3.79,;-3.28,-4.19,;-2.19,-3.1,;-2.59,-1.61,;-2.03,1.52,;-1.26,.19,;.28,.19,;1.05,1.52,;.28,2.85,;-1.26,2.85,;2.59,1.52,;3.36,2.85,;2.59,4.19,;4.9,2.85,;5.81,1.61,;7.27,2.08,;7.27,3.62,;5.81,4.1,)|
Show InChI InChI=1S/C21H25N3O3S/c1-21(2)17(14-6-4-3-5-7-14)24(20(26)27-21)16-10-8-15(9-11-16)23-18(25)19-22-12-13-28-19/h3-7,12-13,15-17H,8-11H2,1-2H3,(H,23,25)/t15-,16-,17-/m0/s1
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n/an/a 1.46E+3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231154
PNG
(US9340549, 175 | US9340549, 176)
Show SMILES CC1(C)OC(=O)N([C@H]2CC(C2)c2nnc(o2)-c2ccccc2)[C@@H]1c1ccccc1 |r,wU:7.6,wD:22.26,(-7.13,-1.48,;-6.36,-.14,;-7.69,-.91,;-6.83,1.32,;-5.59,2.23,;-5.59,3.77,;-4.34,1.32,;-2.85,1.72,;-2.08,3.05,;-.75,2.28,;-1.52,.95,;.74,2.68,;1.21,4.15,;2.75,4.15,;3.23,2.68,;1.98,1.78,;4.72,2.28,;5.11,.79,;6.6,.4,;7.69,1.49,;7.29,2.97,;5.81,3.37,;-4.82,-.14,;-4.05,-1.48,;-4.82,-2.81,;-4.05,-4.15,;-2.51,-4.15,;-1.74,-2.81,;-2.51,-1.48,)|
Show InChI InChI=1S/C23H23N3O3/c1-23(2)19(15-9-5-3-6-10-15)26(22(27)29-23)18-13-17(14-18)21-25-24-20(28-21)16-11-7-4-8-12-16/h3-12,17-19H,13-14H2,1-2H3/t17?,18-,19-/m1/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231002
PNG
(US9340549, 20)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)C(=O)Nc1nccc2cccnc12 |r|
Show InChI InChI=1S/C26H22N4O3/c1-26(2)22(18-7-4-3-5-8-18)30(25(32)33-26)20-12-10-19(11-13-20)24(31)29-23-21-17(14-16-28-23)9-6-15-27-21/h3-16,22H,1-2H3,(H,28,29,31)/t22-/m0/s1
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US Patent
n/an/a 1.48E+3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231050
PNG
(US9340549, 70)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C21H20N4O2/c1-21(2)18(15-6-4-3-5-7-15)25(20(26)27-21)17-10-8-14(9-11-17)16-12-23-19(22)24-13-16/h3-13,18H,1-2H3,(H2,22,23,24)/t18-/m0/s1
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n/an/a 1.49E+3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231097
PNG
(US9340549, 122)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccccn1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C26H22N4O3/c1-26(2)23(21-9-3-4-15-27-21)30(25(32)33-26)19-13-11-18(12-14-19)24(31)29-20-10-5-7-17-8-6-16-28-22(17)20/h3-16,23H,1-2H3,(H,29,31)/t23-/m1/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231125
PNG
(US9340549, 150)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2scnc2c1 |r,wU:7.8,14.15,wD:17.22,(-8.46,-.59,;-7.13,.18,;-7.9,-1.16,;-7.13,1.72,;-5.66,2.19,;-4.89,3.53,;-4.76,.95,;-5.66,-.3,;-5.26,-1.79,;-6.35,-2.87,;-5.95,-4.36,;-4.47,-4.76,;-3.38,-3.67,;-3.78,-2.18,;-3.22,.95,;-2.45,2.28,;-.91,2.28,;-.14,.95,;-.91,-.39,;-2.45,-.39,;1.4,.95,;2.17,2.28,;1.4,3.62,;3.71,2.28,;4.48,.95,;6.02,.95,;6.79,2.28,;8.3,2.6,;8.46,4.13,;7.05,4.76,;6.02,3.62,;4.48,3.62,)|
Show InChI InChI=1S/C25H27N3O3S/c1-25(2)22(16-6-4-3-5-7-16)28(24(30)31-25)19-11-9-18(10-12-19)27-23(29)17-8-13-21-20(14-17)26-15-32-21/h3-8,13-15,18-19,22H,9-12H2,1-2H3,(H,27,29)/t18-,19-,22-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231134
PNG
(US9340549, 159)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nccn2c1 |r,wU:7.8,17.22,wD:14.15,(-8.46,-.02,;-7.13,.75,;-7.9,-.58,;-7.13,2.29,;-5.66,2.77,;-4.89,4.1,;-4.76,1.52,;-5.66,.27,;-5.26,-1.21,;-6.35,-2.3,;-5.95,-3.79,;-4.47,-4.19,;-3.38,-3.1,;-3.78,-1.61,;-3.22,1.52,;-2.45,.19,;-.91,.19,;-.14,1.52,;-.91,2.85,;-2.45,2.85,;1.4,1.52,;2.17,2.85,;1.4,4.19,;3.71,2.85,;4.48,4.19,;6.02,4.19,;6.79,2.85,;8.3,2.53,;8.46,1,;7.05,.38,;6.02,1.52,;4.48,1.52,)|
Show InChI InChI=1S/C25H28N4O3/c1-25(2)22(17-6-4-3-5-7-17)29(24(31)32-25)20-11-9-19(10-12-20)27-23(30)18-8-13-21-26-14-15-28(21)16-18/h3-8,13-16,19-20,22H,9-12H2,1-2H3,(H,27,30)/t19-,20-,22-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231055
PNG
(US9340549, 77)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)C1=NCCCN1 |r,wU:7.8,17.22,wD:14.15,t:31,(-7.63,.02,;-6.29,.79,;-6.29,-.75,;-6.29,2.33,;-4.83,2.81,;-4.06,4.14,;-3.92,1.56,;-4.83,.32,;-4.43,-1.17,;-5.52,-2.26,;-5.12,-3.75,;-3.63,-4.14,;-2.54,-3.05,;-2.94,-1.57,;-2.38,1.56,;-1.61,.23,;-.07,.23,;.7,1.56,;-.07,2.9,;-1.61,2.9,;2.24,1.56,;3.01,2.9,;4.55,2.9,;5.32,1.56,;6.86,1.56,;4.55,.23,;3.01,.23,;5.32,-1.1,;4.55,-2.44,;5.32,-3.77,;6.86,-3.77,;7.63,-2.44,;6.86,-1.1,)|
Show InChI InChI=1S/C26H33N5O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24/h3-5,7-8,15-17,20,22H,6,9-14H2,1-2H3,(H2,27,30)(H,28,29)/t17-,20-,22-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231104
PNG
(US9340549, 129)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(ncc1F)-c1ncccn1 |r|
Show InChI InChI=1S/C26H21FN4O2/c1-26(2)23(18-7-4-3-5-8-18)31(25(32)33-26)19-11-9-17(10-12-19)20-15-22(30-16-21(20)27)24-28-13-6-14-29-24/h3-16,23H,1-2H3/t23-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231081
PNG
(US9340549, 106)
Show SMILES COc1cccc(c1)[C@H]1N(C(=O)OC1(C)C)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C28H25N3O4/c1-28(2)25(20-8-4-10-22(17-20)34-3)31(27(33)35-28)21-14-12-19(13-15-21)26(32)30-23-11-5-7-18-9-6-16-29-24(18)23/h4-17,25H,1-3H3,(H,30,32)/t25-/m1/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231046
PNG
(US9340549, 66)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1nnc2cc(ccn12)-c1cncnc1 |r|
Show InChI InChI=1S/C27H22N6O2/c1-27(2)24(18-6-4-3-5-7-18)33(26(34)35-27)22-10-8-19(9-11-22)25-31-30-23-14-20(12-13-32(23)25)21-15-28-17-29-16-21/h3-17,24H,1-2H3/t24-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231048
PNG
(US9340549, 68)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1nnc2ccc(Cl)nn12 |r|
Show InChI InChI=1S/C22H18ClN5O2/c1-22(2)19(14-6-4-3-5-7-14)27(21(29)30-22)16-10-8-15(9-11-16)20-25-24-18-13-12-17(23)26-28(18)20/h3-13,19H,1-2H3/t19-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM230995
PNG
(US9340549, 13)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(Nc2ncccn2)c1 |r,wU:17.22,wD:7.8,14.15,(-7.24,.81,;-5.91,1.58,;-6.68,.25,;-5.91,3.12,;-4.44,3.6,;-3.67,4.93,;-3.54,2.35,;-4.44,1.11,;-4.04,-.38,;-5.13,-1.47,;-4.74,-2.96,;-3.25,-3.35,;-2.16,-2.27,;-2.56,-.78,;-2,2.35,;-1.23,1.02,;.31,1.02,;1.08,2.35,;.31,3.69,;-1.23,3.69,;2.62,2.35,;3.39,3.69,;4.93,3.69,;5.7,2.35,;7.24,2.35,;4.93,1.02,;5.7,-.31,;5.7,-1.85,;4.37,-2.62,;4.37,-4.16,;5.7,-4.93,;7.04,-4.16,;7.04,-2.62,;3.39,1.02,)|
Show InChI InChI=1S/C26H30N6O2/c1-26(2)22(18-7-4-3-5-8-18)32(25(33)34-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)31-24-28-13-6-14-29-24/h3-8,13-17,20,22H,9-12H2,1-2H3,(H2,27,30)(H,28,29,31)/t17-,20-,22-/m1/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231049
PNG
(US9340549, 69)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-n1nnc2ccccc12 |r|
Show InChI InChI=1S/C23H20N4O2/c1-23(2)21(16-8-4-3-5-9-16)26(22(28)29-23)17-12-14-18(15-13-17)27-20-11-7-6-10-19(20)24-25-27/h3-15,21H,1-2H3/t21-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231129
PNG
(US9340549, 154)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N[C@H]1CC[C@@H](CC1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r,wU:18.20,11.11,wD:14.18,(8.61,2.08,;7.27,1.31,;7.27,-.23,;5.94,2.08,;4.47,1.61,;3.57,2.85,;4.47,4.1,;5.94,3.62,;2.03,2.85,;1.26,4.19,;1.26,1.52,;-.28,1.52,;-1.05,.19,;-2.59,.19,;-3.36,1.52,;-2.59,2.85,;-1.05,2.85,;-4.9,1.52,;-5.81,.27,;-5.41,-1.21,;-6.5,-2.3,;-6.1,-3.79,;-4.61,-4.19,;-3.52,-3.1,;-3.92,-1.61,;-7.27,.75,;-8.61,-.02,;-8.04,-.58,;-7.27,2.29,;-5.81,2.77,;-5.04,4.1,)|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231087
PNG
(US9340549, 112)
Show SMILES COc1ccc(cc1)[C@H]1N(C(=O)OC1(C)C)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C28H25N3O4/c1-28(2)25(19-11-15-22(34-3)16-12-19)31(27(33)35-28)21-13-9-20(10-14-21)26(32)30-23-8-4-6-18-7-5-17-29-24(18)23/h4-17,25H,1-3H3,(H,30,32)/t25-/m1/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM230999
PNG
(US9340549, 17)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-n1c2ccccc2oc1=O |r|
Show InChI InChI=1S/C24H20N2O4/c1-24(2)21(16-8-4-3-5-9-16)26(23(28)30-24)18-14-12-17(13-15-18)25-19-10-6-7-11-20(19)29-22(25)27/h3-15,21H,1-2H3/t21-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231057
PNG
(US9340549, 80)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-n1cc([nH]c1=O)-c1ccccc1 |r|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231154
PNG
(US9340549, 175 | US9340549, 176)
Show SMILES CC1(C)OC(=O)N([C@H]2CC(C2)c2nnc(o2)-c2ccccc2)[C@@H]1c1ccccc1 |r,wU:7.6,wD:22.26,(-7.13,-1.48,;-6.36,-.14,;-7.69,-.91,;-6.83,1.32,;-5.59,2.23,;-5.59,3.77,;-4.34,1.32,;-2.85,1.72,;-2.08,3.05,;-.75,2.28,;-1.52,.95,;.74,2.68,;1.21,4.15,;2.75,4.15,;3.23,2.68,;1.98,1.78,;4.72,2.28,;5.11,.79,;6.6,.4,;7.69,1.49,;7.29,2.97,;5.81,3.37,;-4.82,-.14,;-4.05,-1.48,;-4.82,-2.81,;-4.05,-4.15,;-2.51,-4.15,;-1.74,-2.81,;-2.51,-1.48,)|
Show InChI InChI=1S/C23H23N3O3/c1-23(2)19(15-9-5-3-6-10-15)26(22(27)29-23)18-13-17(14-18)21-25-24-20(28-21)16-11-7-4-8-12-16/h3-12,17-19H,13-14H2,1-2H3/t17?,18-,19-/m1/s1
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n/an/a 3.13E+3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231032
PNG
(US9340549, 49)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccccc2oc1=O |r,wU:7.8,17.22,wD:14.15,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,.23,;.86,.23,;1.63,1.56,;.86,2.9,;-.68,2.9,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|
Show InChI InChI=1S/C24H26N2O4/c1-24(2)21(16-8-4-3-5-9-16)26(23(28)30-24)18-14-12-17(13-15-18)25-19-10-6-7-11-20(19)29-22(25)27/h3-11,17-18,21H,12-15H2,1-2H3/t17-,18-,21-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM230992
PNG
(US9340549, 10)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1cccnc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C26H22N4O3/c1-26(2)23(19-8-4-14-27-16-19)30(25(32)33-26)20-12-10-18(11-13-20)24(31)29-21-9-3-6-17-7-5-15-28-22(17)21/h3-16,23H,1-2H3,(H,29,31)/t23-/m1/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231029
PNG
(US9340549, 46)
Show SMILES O=C(Nc1cccc2cccnc12)c1ccc(cc1)N1C(c2ccccc2)C2(CCCCC2)OC1=O
Show InChI InChI=1S/C30H27N3O3/c34-28(32-25-13-7-11-21-12-8-20-31-26(21)25)23-14-16-24(17-15-23)33-27(22-9-3-1-4-10-22)30(36-29(33)35)18-5-2-6-19-30/h1,3-4,7-17,20,27H,2,5-6,18-19H2,(H,32,34)
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n/an/a 5.17E+3n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231016
PNG
(US9340549, 33)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@H](CC1)C(=O)Nc1cccc2cccnc12 |r,wU:7.8,wD:14.15,17.22,(-7.63,.02,;-6.29,.79,;-7.06,-.54,;-6.29,2.33,;-4.83,2.81,;-4.06,4.14,;-3.92,1.56,;-4.83,.32,;-4.43,-1.17,;-5.52,-2.26,;-5.12,-3.75,;-3.63,-4.14,;-2.54,-3.05,;-2.94,-1.57,;-2.38,1.56,;-1.61,.23,;-.07,.23,;.7,1.56,;-.07,2.9,;-1.61,2.9,;2.24,1.56,;3.01,2.9,;3.01,.23,;4.55,.23,;5.32,1.56,;6.86,1.56,;7.63,.23,;6.86,-1.1,;7.63,-2.44,;6.86,-3.77,;5.32,-3.77,;4.55,-2.44,;5.32,-1.1,)|
Show InChI InChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)25(31)29-22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20-,21+,24-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231047
PNG
(US9340549, 67)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1nnc2cc(ccn12)C#N |r|
Show InChI InChI=1S/C24H19N5O2/c1-24(2)21(17-6-4-3-5-7-17)29(23(30)31-24)19-10-8-18(9-11-19)22-27-26-20-14-16(15-25)12-13-28(20)22/h3-14,21H,1-2H3/t21-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231084
PNG
(US9340549, 109)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1cccc(F)c1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C27H22FN3O3/c1-27(2)24(19-7-3-9-20(28)16-19)31(26(33)34-27)21-13-11-18(12-14-21)25(32)30-22-10-4-6-17-8-5-15-29-23(17)22/h3-16,24H,1-2H3,(H,30,32)/t24-/m1/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231056
PNG
(US9340549, 79)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccccc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C27H23N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)25(31)29-22-12-6-10-18-11-7-17-28-23(18)22/h3-17,24H,1-2H3,(H,29,31)/t24-/m1/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231044
PNG
(US9340549, 63)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc2C(=O)N(CCc2c1)c1cccc2cccnc12 |r|
Show InChI InChI=1S/C29H25N3O3/c1-29(2)26(20-8-4-3-5-9-20)32(28(34)35-29)22-13-14-23-21(18-22)15-17-31(27(23)33)24-12-6-10-19-11-7-16-30-25(19)24/h3-14,16,18,26H,15,17H2,1-2H3/t26-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231100
PNG
(US9340549, 125)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccncc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C26H22N4O3/c1-26(2)23(18-12-15-27-16-13-18)30(25(32)33-26)20-10-8-19(9-11-20)24(31)29-21-7-3-5-17-6-4-14-28-22(17)21/h3-16,23H,1-2H3,(H,29,31)/t23-/m1/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231054
PNG
(US9340549, 76)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@H](CC1)c1cnc(N)c(c1)C1=NCCCN1 |r,wU:7.8,wD:14.15,17.22,t:31,(-7.63,.02,;-6.29,.79,;-6.29,-.75,;-6.29,2.33,;-4.83,2.81,;-4.06,4.14,;-3.92,1.56,;-4.83,.32,;-4.43,-1.17,;-5.52,-2.26,;-5.12,-3.75,;-3.63,-4.14,;-2.54,-3.05,;-2.94,-1.57,;-2.38,1.56,;-1.61,.23,;-.07,.23,;.7,1.56,;-.07,2.9,;-1.61,2.9,;2.24,1.56,;3.01,2.9,;4.55,2.9,;5.32,1.56,;6.86,1.56,;4.55,.23,;3.01,.23,;5.32,-1.1,;4.55,-2.44,;5.32,-3.77,;6.86,-3.77,;7.63,-2.44,;6.86,-1.1,)|
Show InChI InChI=1S/C26H33N5O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24/h3-5,7-8,15-17,20,22H,6,9-14H2,1-2H3,(H2,27,30)(H,28,29)/t17-,20+,22-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM230990
PNG
(US9340549, 8)
Show SMILES CC1(C)OC(=O)N(C1c1ccccc1)c1ccc(cc1)-c1cc(c[nH]c1=O)-c1ncccn1 |w:7.8|
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231126
PNG
(US9340549, 151)
Show SMILES Cn1cncc1C(=O)N[C@H]1CC[C@@H](CC1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r,wU:16.18,9.9,wD:12.16,(5.04,4.81,;5.81,3.48,;7.27,3,;7.27,1.46,;5.81,.99,;4.9,2.23,;3.36,2.23,;2.59,3.56,;2.59,.9,;1.05,.9,;.28,-.44,;-1.26,-.44,;-2.03,.9,;-1.26,2.23,;.28,2.23,;-3.57,.9,;-4.47,-.35,;-4.07,-1.84,;-5.16,-2.92,;-4.77,-4.41,;-3.28,-4.81,;-2.19,-3.72,;-2.59,-2.23,;-5.94,.13,;-7.27,-.64,;-6.71,-1.21,;-5.94,1.67,;-4.47,2.14,;-3.7,3.48,)|
Show InChI InChI=1S/C22H28N4O3/c1-22(2)19(15-7-5-4-6-8-15)26(21(28)29-22)17-11-9-16(10-12-17)24-20(27)18-13-23-14-25(18)3/h4-8,13-14,16-17,19H,9-12H2,1-3H3,(H,24,27)/t16-,17-,19-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231141
PNG
(US9340549, 166)
Show SMILES Cc1nc(cs1)C(=O)N[C@H]1CC[C@@H](CC1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r,wU:16.18,9.9,wD:12.16,(7.94,1.31,;6.6,2.08,;5.14,1.61,;4.23,2.85,;5.14,4.1,;6.6,3.62,;2.69,2.85,;1.93,4.19,;1.93,1.52,;.38,1.52,;-.38,.19,;-1.93,.19,;-2.69,1.52,;-1.93,2.85,;-.38,2.85,;-4.23,1.52,;-5.14,.27,;-4.74,-1.21,;-5.83,-2.3,;-5.43,-3.79,;-3.94,-4.19,;-2.86,-3.1,;-3.25,-1.61,;-6.6,.75,;-7.94,-.02,;-7.37,-.58,;-6.6,2.29,;-5.14,2.77,;-4.37,4.1,)|
Show InChI InChI=1S/C22H27N3O3S/c1-14-23-18(13-29-14)20(26)24-16-9-11-17(12-10-16)25-19(15-7-5-4-6-8-15)22(2,3)28-21(25)27/h4-8,13,16-17,19H,9-12H2,1-3H3,(H,24,26)/t16-,17-,19-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231143
PNG
(US9340549, 168)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cscn1 |r,wU:7.8,17.22,wD:14.15,(-7.27,-.02,;-5.94,.75,;-6.71,-.58,;-5.94,2.29,;-4.47,2.77,;-3.7,4.1,;-3.57,1.52,;-4.47,.27,;-4.07,-1.21,;-5.16,-2.3,;-4.77,-3.79,;-3.28,-4.19,;-2.19,-3.1,;-2.59,-1.61,;-2.03,1.52,;-1.26,.19,;.28,.19,;1.05,1.52,;.28,2.85,;-1.26,2.85,;2.59,1.52,;3.36,2.85,;2.59,4.19,;4.9,2.85,;5.81,4.1,;7.27,3.62,;7.27,2.08,;5.81,1.61,)|
Show InChI InChI=1S/C21H25N3O3S/c1-21(2)18(14-6-4-3-5-7-14)24(20(26)27-21)16-10-8-15(9-11-16)23-19(25)17-12-28-13-22-17/h3-7,12-13,15-16,18H,8-11H2,1-2H3,(H,23,25)/t15-,16-,18-/m0/s1
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AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231142
PNG
(US9340549, 167)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1csc(n1)-c1ccncc1 |r,wU:7.8,17.22,wD:14.15,(-9.1,-.02,;-7.77,.75,;-8.54,-.58,;-7.77,2.29,;-6.31,2.77,;-5.54,4.1,;-5.4,1.52,;-6.31,.27,;-5.91,-1.21,;-7,-2.3,;-6.6,-3.79,;-5.11,-4.19,;-4.02,-3.1,;-4.42,-1.61,;-3.86,1.52,;-3.09,.19,;-1.55,.19,;-.78,1.52,;-1.55,2.85,;-3.09,2.85,;.76,1.52,;1.53,2.85,;.76,4.19,;3.07,2.85,;3.97,4.1,;5.44,3.62,;5.44,2.08,;3.97,1.61,;6.53,1,;6.13,-.49,;7.22,-1.58,;8.71,-1.18,;9.1,.31,;8.02,1.39,)|
Show InChI InChI=1S/C26H28N4O3S/c1-26(2)22(17-6-4-3-5-7-17)30(25(32)33-26)20-10-8-19(9-11-20)28-23(31)21-16-34-24(29-21)18-12-14-27-15-13-18/h3-7,12-16,19-20,22H,8-11H2,1-2H3,(H,28,31)/t19-,20-,22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>4.63E+4n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231109
PNG
(US9340549, 134)
Show SMILES Cc1ccc(cn1)[C@H]1CCC(CC1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r,wU:14.16,wD:7.7,(7.3,1.56,;5.76,1.56,;4.93,.23,;3.39,.23,;2.62,1.56,;3.39,2.9,;4.93,2.9,;1.08,1.56,;.31,2.9,;-1.23,2.9,;-2,1.56,;-1.23,.23,;.31,.23,;-3.54,1.56,;-4.44,.32,;-4.04,-1.17,;-5.13,-2.26,;-4.74,-3.75,;-3.25,-4.14,;-2.16,-3.05,;-2.56,-1.57,;-5.91,.79,;-7.24,.02,;-6.68,-.54,;-5.91,2.33,;-4.44,2.81,;-3.67,4.14,)|
Show InChI InChI=1S/C23H28N2O2/c1-16-9-10-19(15-24-16)17-11-13-20(14-12-17)25-21(18-7-5-4-6-8-18)23(2,3)27-22(25)26/h4-10,15,17,20-21H,11-14H2,1-3H3/t17-,20?,21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>4.63E+4n/an/an/an/an/a25



AMGEN INC.

US Patent


Assay Description
The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...

US Patent US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%