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Compile Data Set for Download or QSAR

Found 26 hits of ic50 data for complexid = 63   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM143712
PNG
(US9682961, 1)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4nc[nH]c4c3)nc12 |r,wU:4.7,1.0,(8.52,-4.99,;7.19,-4.22,;5.85,-4.99,;4.52,-4.22,;4.52,-2.68,;5.85,-1.91,;7.19,-2.68,;3.19,-1.91,;3.19,-.37,;4.52,.4,;4.52,1.94,;3.19,2.71,;1.85,1.94,;.52,2.71,;-.82,1.94,;-.82,.4,;-2.15,-.37,;-3.48,.4,;-3.48,1.94,;-4.82,2.71,;-6.15,1.94,;-7.61,2.41,;-8.52,1.17,;-7.61,-.08,;-6.15,.4,;-4.82,-.37,;.52,-.37,;1.85,.4,)|
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n/an/a<300n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148359
PNG
(US9682961, 13)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4[nH]c(CN5CCCC5)nc4c3)nc12 |r,wU:4.7,1.0,(10.68,-3.85,;9.35,-3.08,;8.02,-3.85,;6.68,-3.08,;6.68,-1.54,;8.02,-.77,;9.35,-1.54,;5.35,-.77,;5.35,.77,;6.68,1.54,;6.68,3.08,;5.35,3.85,;4.01,3.08,;2.68,3.85,;1.35,3.08,;1.35,1.54,;.01,.77,;-1.32,1.54,;-1.32,3.08,;-2.65,3.85,;-3.99,3.08,;-5.45,3.56,;-6.36,2.31,;-7.9,2.31,;-8.67,.98,;-10.21,.98,;-10.68,-.49,;-9.44,-1.39,;-8.19,-.49,;-5.45,1.06,;-3.99,1.54,;-2.65,.77,;2.68,.77,;4.01,1.54,)|
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n/an/a<300n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148402
PNG
(US9682961, 44)
Show SMILES OCc1n[nH]c2cc(Nc3ncc4ccc(F)c(O[C@@H]5CC[C@H](O)CC5)c4n3)ccc12 |r,wU:19.18,22.22,(-6.92,4.99,;-8.01,3.9,;-7.61,2.41,;-8.52,1.17,;-7.61,-.08,;-6.15,.4,;-4.82,-.37,;-3.48,.4,;-2.15,-.37,;-.82,.4,;-.82,1.94,;.52,2.71,;1.85,1.94,;3.19,2.71,;4.52,1.94,;4.52,.4,;5.85,-.37,;3.19,-.37,;3.19,-1.91,;4.52,-2.68,;4.52,-4.22,;5.85,-4.99,;7.19,-4.22,;8.52,-4.99,;7.19,-2.68,;5.85,-1.91,;1.85,.4,;.52,-.37,;-3.48,1.94,;-4.82,2.71,;-6.15,1.94,)|
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CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148401
PNG
(US9682961, 43)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1c(F)ccc2cnc(Nc3ccc4ncccc4c3)nc12 |r,wU:4.7,1.0,(8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;6,-.77,;7.34,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;4.67,3.08,;3.33,3.85,;2,3.08,;.67,3.85,;-.67,3.08,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-8.67,3.08,;-8.67,1.54,;-7.34,.77,;-6,1.54,;-4.67,.77,;.67,.77,;2,1.54,)|
Show InChI InChI=1S/C23H21FN4O2/c24-19-9-3-15-13-26-23(27-16-4-10-20-14(12-16)2-1-11-25-20)28-21(15)22(19)30-18-7-5-17(29)6-8-18/h1-4,9-13,17-18,29H,5-8H2,(H,26,27,28)/t17-,18+
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n/an/a<300n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148400
PNG
(US9682961, 42)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1c(F)ccc2cnc(Nc3ccc4ncsc4c3)nc12 |r,wU:4.7,1.0,(8.52,-3.85,;7.19,-3.08,;5.85,-3.85,;4.52,-3.08,;4.52,-1.54,;5.85,-.77,;7.19,-1.54,;3.19,-.77,;3.19,.77,;4.52,1.54,;5.85,.77,;4.52,3.08,;3.19,3.85,;1.85,3.08,;.52,3.85,;-.82,3.08,;-.82,1.54,;-2.15,.77,;-3.48,1.54,;-3.48,3.08,;-4.82,3.85,;-6.15,3.08,;-7.61,3.56,;-8.52,2.31,;-7.61,1.06,;-6.15,1.54,;-4.82,.77,;.52,.77,;1.85,1.54,)|
Show InChI InChI=1S/C21H19FN4O2S/c22-16-7-1-12-10-23-21(25-13-2-8-17-18(9-13)29-11-24-17)26-19(12)20(16)28-15-5-3-14(27)4-6-15/h1-2,7-11,14-15,27H,3-6H2,(H,23,25,26)/t14-,15+
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CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148391
PNG
(US9682961, 37)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccnc4ccccc34)nc12 |r,wU:4.7,1.0,(8,-3.85,;6.67,-3.08,;5.33,-3.85,;4,-3.08,;4,-1.54,;5.33,-.77,;6.67,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;4,3.08,;2.67,3.85,;1.33,3.08,;,3.85,;-1.33,3.08,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-6.67,3.08,;-6.67,1.54,;-8,.77,;-8,-.77,;-6.67,-1.54,;-5.33,-.77,;-5.33,.77,;,.77,;1.33,1.54,)|
Show InChI InChI=1S/C23H22N4O2/c28-16-8-10-17(11-9-16)29-21-7-3-4-15-14-25-23(27-22(15)21)26-20-12-13-24-19-6-2-1-5-18(19)20/h1-7,12-14,16-17,28H,8-11H2,(H,24,25,26,27)/t16-,17+
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n/an/a<300n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148390
PNG
(US9682961, 36)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4scnc4c3)nc12 |r,wU:4.7,1.0,(8.52,-3.85,;7.19,-3.08,;5.85,-3.85,;4.52,-3.08,;4.52,-1.54,;5.85,-.77,;7.19,-1.54,;3.19,-.77,;3.19,.77,;4.52,1.54,;4.52,3.08,;3.19,3.85,;1.85,3.08,;.52,3.85,;-.82,3.08,;-.82,1.54,;-2.15,.77,;-3.48,1.54,;-3.48,3.08,;-4.82,3.85,;-6.15,3.08,;-7.61,3.56,;-8.52,2.31,;-7.61,1.06,;-6.15,1.54,;-4.82,.77,;.52,.77,;1.85,1.54,)|
Show InChI InChI=1S/C21H20N4O2S/c26-15-5-7-16(8-6-15)27-18-3-1-2-13-11-22-21(25-20(13)18)24-14-4-9-19-17(10-14)23-12-28-19/h1-4,9-12,15-16,26H,5-8H2,(H,22,24,25)/t15-,16+
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CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148385
PNG
(US9682961, 31)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1c(Br)ccc2cnc(Nc3ccc4nc[nH]c4c3)nc12 |r,wU:4.7,1.0,(8.52,-3.85,;7.19,-3.08,;5.85,-3.85,;4.52,-3.08,;4.52,-1.54,;5.85,-.77,;7.19,-1.54,;3.19,-.77,;3.19,.77,;4.52,1.54,;5.85,.77,;4.52,3.08,;3.19,3.85,;1.85,3.08,;.52,3.85,;-.82,3.08,;-.82,1.54,;-2.15,.77,;-3.48,1.54,;-3.48,3.08,;-4.82,3.85,;-6.15,3.08,;-7.61,3.56,;-8.52,2.31,;-7.61,1.06,;-6.15,1.54,;-4.82,.77,;.52,.77,;1.85,1.54,)|
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n/an/a<300n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148380
PNG
(US9682961, 29)
Show SMILES OCc1cc(Nc2ncc3cccc(O[C@@H]4CC[C@H](O)CC4)c3n2)cc2[nH]cnc12 |r,wU:15.14,18.18,(-3.48,5,;-4.82,4.23,;-4.82,2.69,;-3.48,1.93,;-3.48,.38,;-2.15,-.38,;-.82,.38,;-.82,1.93,;.52,2.69,;1.85,1.93,;3.19,2.69,;4.52,1.93,;4.52,.38,;3.19,-.38,;3.19,-1.93,;4.52,-2.69,;4.52,-4.23,;5.85,-5,;7.19,-4.23,;8.52,-5,;7.19,-2.69,;5.85,-1.92,;1.85,.38,;.52,-.38,;-4.82,-.38,;-6.15,.38,;-7.61,-.09,;-8.52,1.15,;-7.61,2.4,;-6.15,1.93,)|
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n/an/a<300n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148368
PNG
(US9682961, 20)
Show SMILES Cc1nc2c(C)cc(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)cc2[nH]1 |r,wU:18.17,21.21,(-9.33,1.54,;-7.79,1.54,;-6.84,2.79,;-5.38,2.31,;-4.05,3.08,;-4.05,4.62,;-2.71,2.31,;-2.71,.77,;-1.38,,;-.05,.77,;-.05,2.31,;1.29,3.08,;2.62,2.31,;3.96,3.08,;5.29,2.31,;5.29,.77,;3.96,,;3.96,-1.54,;5.29,-2.31,;5.29,-3.85,;6.62,-4.62,;7.96,-3.85,;9.29,-4.62,;7.96,-2.31,;6.62,-1.54,;2.62,.77,;1.29,,;-4.05,,;-5.38,.77,;-6.84,.29,)|
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n/an/a 650n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148386
PNG
(US9682961, 32)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cc(F)cc2cnc(Nc3ccc4nc[nH]c4c3)nc12 |r,wU:4.7,1.0,(8.52,-3.85,;7.19,-3.08,;5.85,-3.85,;4.52,-3.08,;4.52,-1.54,;5.85,-.77,;7.19,-1.54,;3.19,-.77,;3.19,.77,;4.52,1.54,;4.52,3.08,;5.85,3.85,;3.19,3.85,;1.85,3.08,;.52,3.85,;-.82,3.08,;-.82,1.54,;-2.15,.77,;-3.48,1.54,;-3.48,3.08,;-4.82,3.85,;-6.15,3.08,;-7.61,3.56,;-8.52,2.31,;-7.61,1.06,;-6.15,1.54,;-4.82,.77,;.52,.77,;1.85,1.54,)|
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CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148360
PNG
(US9682961, 14)
Show SMILES OCc1nc2cc(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)ccc2[nH]1 |r,wU:17.16,20.20,(-9.68,.98,;-8.91,2.31,;-7.37,2.31,;-6.46,1.06,;-5,1.54,;-3.66,.77,;-2.33,1.54,;-.99,.77,;.34,1.54,;.34,3.08,;1.67,3.85,;3.01,3.08,;4.34,3.85,;5.67,3.08,;5.67,1.54,;4.34,.77,;4.34,-.77,;5.67,-1.54,;5.67,-3.08,;7.01,-3.85,;8.34,-3.08,;9.68,-3.85,;8.34,-1.54,;7.01,-.77,;3.01,1.54,;1.67,.77,;-2.33,3.08,;-3.66,3.85,;-5,3.08,;-6.46,3.56,)|
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CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148364
PNG
(US9682961, 17)
Show SMILES Cc1ccc2cnc(Nc3ccc4nc[nH]c4c3)nc2c1O[C@@H]1CC[C@H](O)CC1 |r,wU:22.25,25.29,(5.85,.77,;4.52,1.54,;4.52,3.08,;3.19,3.85,;1.85,3.08,;.52,3.85,;-.82,3.08,;-.82,1.54,;-2.15,.77,;-3.48,1.54,;-3.48,3.08,;-4.82,3.85,;-6.15,3.08,;-7.61,3.56,;-8.52,2.31,;-7.61,1.06,;-6.15,1.54,;-4.82,.77,;.52,.77,;1.85,1.54,;3.19,.77,;3.19,-.77,;4.52,-1.54,;4.52,-3.08,;5.85,-3.85,;7.19,-3.08,;8.52,-3.85,;7.19,-1.54,;5.85,-.77,)|
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n/an/a 650n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148389
PNG
(US9682961, 35)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4ncccc4c3)nc12 |r,wU:4.7,1.0,(8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;6,-.77,;7.34,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;4.67,3.08,;3.33,3.85,;2,3.08,;.67,3.85,;-.67,3.08,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-8.67,3.08,;-8.67,1.54,;-7.34,.77,;-6,1.54,;-4.67,.77,;.67,.77,;2,1.54,)|
Show InChI InChI=1S/C23H22N4O2/c28-18-7-9-19(10-8-18)29-21-5-1-3-16-14-25-23(27-22(16)21)26-17-6-11-20-15(13-17)4-2-12-24-20/h1-6,11-14,18-19,28H,7-10H2,(H,25,26,27)/t18-,19+
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n/an/a 650n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148376
PNG
(US9682961, 25)
Show SMILES COCc1nc2ccc(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)cc2[nH]1 |r,wU:19.18,22.22,(-8.91,-.36,;-9.68,.98,;-8.91,2.31,;-7.37,2.31,;-6.46,3.56,;-5,3.08,;-3.66,3.85,;-2.33,3.08,;-2.33,1.54,;-.99,.77,;.34,1.54,;.34,3.08,;1.67,3.85,;3.01,3.08,;4.34,3.85,;5.67,3.08,;5.67,1.54,;4.34,.77,;4.34,-.77,;5.67,-1.54,;5.67,-3.08,;7.01,-3.85,;8.34,-3.08,;9.68,-3.85,;8.34,-1.54,;7.01,-.77,;3.01,1.54,;1.67,.77,;-3.66,.77,;-5,1.54,;-6.46,1.06,)|
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n/an/a 650n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148403
PNG
(US9682961, 45)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccnc4cc(F)ccc34)nc12 |r,wU:4.7,1.0,(8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;6,-.77,;7.34,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;4.67,3.08,;3.33,3.85,;2,3.08,;.67,3.85,;-.67,3.08,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-6,1.54,;-7.34,.77,;-7.34,-.77,;-8.67,-1.54,;-6,-1.54,;-4.67,-.77,;-4.67,.77,;.67,.77,;2,1.54,)|
Show InChI InChI=1S/C23H21FN4O2/c24-15-4-9-18-19(10-11-25-20(18)12-15)27-23-26-13-14-2-1-3-21(22(14)28-23)30-17-7-5-16(29)6-8-17/h1-4,9-13,16-17,29H,5-8H2,(H,25,26,27,28)/t16-,17+
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n/an/a 650n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148393
PNG
(US9682961, 38)
Show SMILES Cc1ccc2cc(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)ccc2n1 |r,wU:17.16,20.20,(-9.34,3.85,;-8,3.08,;-8,1.54,;-6.67,.77,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;,1.54,;,3.08,;1.33,3.85,;2.67,3.08,;4,3.85,;5.33,3.08,;5.33,1.54,;4,.77,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;8,-1.54,;6.67,-.77,;2.67,1.54,;1.33,.77,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,)|
Show InChI InChI=1S/C24H24N4O2/c1-15-5-6-16-13-18(7-12-21(16)26-15)27-24-25-14-17-3-2-4-22(23(17)28-24)30-20-10-8-19(29)9-11-20/h2-7,12-14,19-20,29H,8-11H2,1H3,(H,25,27,28)/t19-,20+
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n/an/a 650n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148396
PNG
(US9682961, 39)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4cnccc4c3)nc12 |r,wU:4.7,1.0,(8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;6,-.77,;7.34,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;4.67,3.08,;3.33,3.85,;2,3.08,;.67,3.85,;-.67,3.08,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-8.67,3.08,;-8.67,1.54,;-7.34,.77,;-6,1.54,;-4.67,.77,;.67,.77,;2,1.54,)|
Show InChI InChI=1S/C23H22N4O2/c28-19-6-8-20(9-7-19)29-21-3-1-2-17-14-25-23(27-22(17)21)26-18-5-4-16-13-24-11-10-15(16)12-18/h1-5,10-14,19-20,28H,6-9H2,(H,25,26,27)/t19-,20+
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n/an/a 650n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148399
PNG
(US9682961, 41)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3cccc4cnccc34)nc12 |r,wU:4.7,1.0,(8,-3.85,;6.67,-3.08,;5.33,-3.85,;4,-3.08,;4,-1.54,;5.33,-.77,;6.67,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;4,3.08,;2.67,3.85,;1.33,3.08,;,3.85,;-1.33,3.08,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-6.67,3.08,;-6.67,1.54,;-8,.77,;-8,-.77,;-6.67,-1.54,;-5.33,-.77,;-5.33,.77,;,.77,;1.33,1.54,)|
Show InChI InChI=1S/C23H22N4O2/c28-17-7-9-18(10-8-17)29-21-6-2-4-16-14-25-23(27-22(16)21)26-20-5-1-3-15-13-24-12-11-19(15)20/h1-6,11-14,17-18,28H,7-10H2,(H,25,26,27)/t17-,18+
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n/an/a 650n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148384
PNG
(US9682961, 30)
Show SMILES Cc1cc2nc[nH]c2cc1Nc1ncc2cccc(O[C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:20.21,23.25,(-2.93,4,;-3.96,2.85,;-5.47,3.18,;-6.5,2.03,;-8.04,2.03,;-8.52,.57,;-7.27,-.34,;-6.02,.57,;-4.52,.25,;-3.49,1.39,;-2.15,.62,;-.82,1.39,;-.82,2.93,;.51,3.7,;1.85,2.93,;3.18,3.7,;4.51,2.93,;4.51,1.39,;3.18,.62,;3.18,-.92,;4.51,-1.69,;4.51,-3.23,;5.85,-4,;7.18,-3.23,;8.52,-4,;7.18,-1.69,;5.85,-.92,;1.85,1.39,;.51,.62,)|
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n/an/a 650n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148404
PNG
(US9682961, 46)
Show SMILES COc1ccc2c(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)ccnc2c1 |r,wU:17.16,20.20,(-8.67,-3.08,;-8.67,-1.54,;-7.34,-.77,;-6,-1.54,;-4.67,-.77,;-4.67,.77,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;.67,3.85,;2,3.08,;3.33,3.85,;4.67,3.08,;4.67,1.54,;3.33,.77,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;8.67,-3.85,;7.34,-1.54,;6,-.77,;2,1.54,;.67,.77,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-6,1.54,;-7.34,.77,)|
Show InChI InChI=1S/C24H24N4O3/c1-30-18-9-10-19-20(11-12-25-21(19)13-18)27-24-26-14-15-3-2-4-22(23(15)28-24)31-17-7-5-16(29)6-8-17/h2-4,9-14,16-17,29H,5-8H2,1H3,(H,25,26,27,28)/t16-,17+
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n/an/a 650n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148378
PNG
(US9682961, 27)
Show SMILES C[C@H](O)c1nc2ccc(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)cc2[nH]1 |r,wU:1.1,wD:19.18,22.22,(-6.62,-4.32,;-5.08,-4.32,;-4.31,-5.65,;-4.31,-2.99,;-2.78,-2.83,;-2.46,-1.32,;-1.12,-.55,;-1.12,.99,;-2.46,1.76,;-2.46,3.3,;-1.12,4.07,;-1.12,5.61,;.21,6.38,;1.55,5.61,;2.88,6.38,;4.21,5.61,;4.21,4.07,;2.88,3.3,;2.88,1.76,;4.21,.99,;5.55,1.76,;6.88,.99,;6.88,-.55,;8.21,-1.32,;5.55,-1.32,;4.21,-.55,;1.55,4.07,;.21,3.3,;-3.79,.99,;-3.79,-.55,;-4.93,-1.58,)|
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n/an/a 650n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148365
PNG
(US9682961, 18)
Show SMILES Cc1nc2ccc(Nc3ncc4ccc(Br)c(O[C@@H]5CC[C@H](O)CC5)c4n3)cc2[nH]1 |r,wU:18.17,21.21,(-9.29,2.31,;-7.75,2.31,;-6.84,3.56,;-5.38,3.08,;-4.05,3.85,;-2.71,3.08,;-2.71,1.54,;-1.38,.77,;-.05,1.54,;-.05,3.08,;1.29,3.85,;2.62,3.08,;3.96,3.85,;5.29,3.08,;5.29,1.54,;6.62,.77,;3.96,.77,;3.96,-.77,;5.29,-1.54,;5.29,-3.08,;6.62,-3.85,;7.96,-3.08,;9.29,-3.85,;7.96,-1.54,;6.62,-.77,;2.62,1.54,;1.29,.77,;-4.05,.77,;-5.38,1.54,;-6.84,1.06,)|
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n/an/a 650n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148397
PNG
(US9682961, 40)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4ccncc4c3)nc12 |r,wU:4.7,1.0,(8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;6,-.77,;7.34,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;4.67,3.08,;3.33,3.85,;2,3.08,;.67,3.85,;-.67,3.08,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-8.67,3.08,;-8.67,1.54,;-7.34,.77,;-6,1.54,;-4.67,.77,;.67,.77,;2,1.54,)|
Show InChI InChI=1S/C23H22N4O2/c28-19-6-8-20(9-7-19)29-21-3-1-2-16-14-25-23(27-22(16)21)26-18-5-4-15-10-11-24-13-17(15)12-18/h1-5,10-14,19-20,28H,6-9H2,(H,25,26,27)/t19-,20+
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n/an/a 2.00E+3n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148366
PNG
(US9682961, 19)
Show SMILES Cc1nc2c(Br)cc(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)cc2[nH]1 |r,wU:18.17,21.21,(-9.29,1.54,;-7.75,1.54,;-6.84,2.79,;-5.38,2.31,;-4.05,3.08,;-4.05,4.62,;-2.71,2.31,;-2.71,.77,;-1.38,,;-.05,.77,;-.05,2.31,;1.29,3.08,;2.62,2.31,;3.96,3.08,;5.29,2.31,;5.29,.77,;3.96,,;3.96,-1.54,;5.29,-2.31,;5.29,-3.85,;6.62,-4.62,;7.96,-3.85,;9.29,-4.62,;7.96,-2.31,;6.62,-1.54,;2.62,.77,;1.29,,;-4.05,,;-5.38,.77,;-6.84,.29,)|
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CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))
BDBM148377
PNG
(US9682961, 26)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4nc([nH]c4c3)C(F)(F)F)nc12 |r,wU:4.7,1.0,(9.29,-3.85,;7.96,-3.08,;6.62,-3.85,;5.29,-3.08,;5.29,-1.54,;6.62,-.77,;7.96,-1.54,;3.96,-.77,;3.96,.77,;5.29,1.54,;5.29,3.08,;3.96,3.85,;2.62,3.08,;1.29,3.85,;-.05,3.08,;-.05,1.54,;-1.38,.77,;-2.71,1.54,;-2.71,3.08,;-4.05,3.85,;-5.38,3.08,;-6.84,3.56,;-7.75,2.31,;-6.84,1.06,;-5.38,1.54,;-4.05,.77,;-9.29,2.31,;-10.06,3.64,;-10.06,.98,;-8.52,.98,;1.29,.77,;2.62,1.54,)|
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CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...


US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair