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Compile Data Set for Download or QSAR

Found 139 hits of ic50 for UniProtKB: A0A024R2Q3   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Catenin beta-1


(Homo sapiens (Human))
BDBM396286
PNG
(US10314832, Compound 2)
Show SMILES O=C(CCC(=O)c1ccccn1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H15NO4/c19-14(5-6-15(20)13-3-1-2-8-18-13)12-4-7-16-17(11-12)22-10-9-21-16/h1-4,7-8,11H,5-6,9-10H2
PDB
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n/an/a 13n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds that enhance the Wnt activity, or Activators, were assayed as follows. Reporter cell lines were generated by stably transducing cells of ca...


US Patent US10314832 (2019)


BindingDB Entry DOI: 10.7270/Q2M047TC
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM396284
PNG
(US10314832, Compound 1)
Show SMILES O=C(CCC(=O)c1ccc2OCCOc2c1)c1ccccc1
Show InChI InChI=1S/C18H16O4/c19-15(13-4-2-1-3-5-13)7-8-16(20)14-6-9-17-18(12-14)22-11-10-21-17/h1-6,9,12H,7-8,10-11H2
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n/an/a 28.5n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds that enhance the Wnt activity, or Activators, were assayed as follows. Reporter cell lines were generated by stably transducing cells of ca...


US Patent US10314832 (2019)


BindingDB Entry DOI: 10.7270/Q2M047TC
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM396287
PNG
(US10314832, Compound 3)
Show SMILES O=C(CCC(=O)c1ccc2OCCOc2c1)c1cccs1
Show InChI InChI=1S/C16H14O4S/c17-12(4-5-13(18)16-2-1-9-21-16)11-3-6-14-15(10-11)20-8-7-19-14/h1-3,6,9-10H,4-5,7-8H2
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n/an/a 38.5n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds that enhance the Wnt activity, or Activators, were assayed as follows. Reporter cell lines were generated by stably transducing cells of ca...


US Patent US10314832 (2019)


BindingDB Entry DOI: 10.7270/Q2M047TC
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM396292
PNG
(US10314832, Compound 8)
Show SMILES Oc1ccccc1C(=O)CCC(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C18H16O5/c19-14(6-7-16(21)13-3-1-2-4-15(13)20)12-5-8-17-18(11-12)23-10-9-22-17/h1-5,8,11,20H,6-7,9-10H2
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n/an/a 83n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds that enhance the Wnt activity, or Activators, were assayed as follows. Reporter cell lines were generated by stably transducing cells of ca...


US Patent US10314832 (2019)


BindingDB Entry DOI: 10.7270/Q2M047TC
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM396291
PNG
(US10314832, Compound 7)
Show SMILES Fc1ccc(cc1)C(=O)CCC(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C18H15FO4/c19-14-4-1-12(2-5-14)15(20)6-7-16(21)13-3-8-17-18(11-13)23-10-9-22-17/h1-5,8,11H,6-7,9-10H2
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n/an/a 183n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds that enhance the Wnt activity, or Activators, were assayed as follows. Reporter cell lines were generated by stably transducing cells of ca...


US Patent US10314832 (2019)


BindingDB Entry DOI: 10.7270/Q2M047TC
More data for this
Ligand-Target Pair
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM143712
PNG
(US9682961, 1)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4nc[nH]c4c3)nc12
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n/an/a<300n/an/an/an/an/an/a



Carna Biosciences, Inc

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148359
PNG
(US9682961, 13)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4[nH]c(CN5CCCC5)nc4c3)nc12
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Carna Biosciences, Inc

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
TCF4/beta-catenin


(Homo sapiens (Human))
BDBM40314
PNG
(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN5O2/c1-18-12(20)9-11(16-13(18)21)19(2)17-10(15-9)7-3-5-8(14)6-4-7/h3-6H,1-2H3
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Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human TCF4/ flag epitope-tagged beta-catenin (unknown origin) interaction transfected in human HCT116 cells after 24 hrs by beta-galact...


Bioorg Med Chem Lett 23: 5814-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.111
BindingDB Entry DOI: 10.7270/Q2RV0Q4J
More data for this
Ligand-Target Pair
Wnt/beta-Catenin


(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
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Carna Biosciences, Inc

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148401
PNG
(US9682961, 43)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1c(F)ccc2cnc(Nc3ccc4ncccc4c3)nc12
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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Carna Biosciences, Inc

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148400
PNG
(US9682961, 42)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1c(F)ccc2cnc(Nc3ccc4ncsc4c3)nc12
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

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148391
PNG
(US9682961, 37)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccnc4ccccc34)nc12
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

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148390
PNG
(US9682961, 36)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4scnc4c3)nc12
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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n/an/a<300n/an/an/an/an/an/a



Carna Biosciences, Inc

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148385
PNG
(US9682961, 31)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1c(Br)ccc2cnc(Nc3ccc4nc[nH]c4c3)nc12
PDB

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n/an/a<300n/an/an/an/an/an/a



Carna Biosciences, Inc

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148380
PNG
(US9682961, 29)
Show SMILES OCc1cc(Nc2ncc3cccc(O[C@@H]4CC[C@H](O)CC4)c3n2)cc2[nH]cnc12
PDB

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n/an/a<300n/an/an/an/an/an/a



Carna Biosciences, Inc

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148384
PNG
(US9682961, 30)
Show SMILES Cc1cc2nc[nH]c2cc1Nc1ncc2cccc(O[C@@H]3CC[C@H](O)CC3)c2n1
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n/an/a 650n/an/an/an/an/an/a



Carna Biosciences, Inc

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148386
PNG
(US9682961, 32)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cc(F)cc2cnc(Nc3ccc4nc[nH]c4c3)nc12
PDB

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n/an/a 650n/an/an/an/an/an/a



Carna Biosciences, Inc

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148399
PNG
(US9682961, 41)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3cccc4cnccc34)nc12
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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Carna Biosciences, Inc

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
Wnt/beta-Catenin


(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
PDB

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n/an/a 650n/an/an/an/an/an/a



Carna Biosciences, Inc

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148360
PNG
(US9682961, 14)
Show SMILES OCc1nc2cc(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)ccc2[nH]1
PDB

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n/an/a 650n/an/an/an/an/an/a



Carna Biosciences, Inc

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148364
PNG
(US9682961, 17)
Show SMILES Cc1ccc2cnc(Nc3ccc4nc[nH]c4c3)nc2c1O[C@@H]1CC[C@H](O)CC1
PDB

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n/an/a 650n/an/an/an/an/an/a



Carna Biosciences, Inc

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148389
PNG
(US9682961, 35)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4ncccc4c3)nc12
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

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148393
PNG
(US9682961, 38)
Show SMILES Cc1ccc2cc(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)ccc2n1
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

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
Wnt/beta-Catenin


(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
PDB

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n/an/a 650n/an/an/an/an/an/a



Carna Biosciences, Inc

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148403
PNG
(US9682961, 45)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccnc4cc(F)ccc34)nc12
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

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148404
PNG
(US9682961, 46)
Show SMILES COc1ccc2c(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)ccnc2c1
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

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
Wnt/beta-Catenin


(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
PDB

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n/an/a 650n/an/an/an/an/an/a



Carna Biosciences, Inc

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148376
PNG
(US9682961, 25)
Show SMILES COCc1nc2ccc(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)cc2[nH]1
PDB

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n/an/a 650n/an/an/an/an/an/a



Carna Biosciences, Inc

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148396
PNG
(US9682961, 39)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4cnccc4c3)nc12
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

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


(Homo sapiens (Human))
BDBM396288
PNG
(US10314832, Compound 11 | US10314832, Compound 4)
Show SMILES COCCOCOc1ccc(cc1)C(=O)CCC(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C22H24O7/c1-25-10-11-26-15-29-18-5-2-16(3-6-18)19(23)7-8-20(24)17-4-9-21-22(14-17)28-13-12-27-21/h2-6,9,14H,7-8,10-13,15H2,1H3
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n/an/a 805n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds that enhance the Wnt activity, or Activators, were assayed as follows. Reporter cell lines were generated by stably transducing cells of ca...


US Patent US10314832 (2019)


BindingDB Entry DOI: 10.7270/Q2M047TC
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM396289
PNG
(US10314832, Compound 5)
Show SMILES O=C(CCC(=O)c1ccccn1)c1cccs1
Show InChI InChI=1S/C13H11NO2S/c15-11(10-4-1-2-8-14-10)6-7-12(16)13-5-3-9-17-13/h1-5,8-9H,6-7H2
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n/an/a 1.27E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds that enhance the Wnt activity, or Activators, were assayed as follows. Reporter cell lines were generated by stably transducing cells of ca...


US Patent US10314832 (2019)


BindingDB Entry DOI: 10.7270/Q2M047TC
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM396298
PNG
(US10314832, Compound 15)
Show SMILES O=C(CC(=O)c1ccccn1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C16H13NO4/c18-13(10-14(19)12-3-1-2-6-17-12)11-4-5-15-16(9-11)21-8-7-20-15/h1-6,9H,7-8,10H2
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n/an/a 1.39E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds that enhance the Wnt activity, or Activators, were assayed as follows. Reporter cell lines were generated by stably transducing cells of ca...


US Patent US10314832 (2019)


BindingDB Entry DOI: 10.7270/Q2M047TC
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509812
PNG
(CHEMBL4548532)
Show SMILES OC(=O)CC[C@H](NC(=O)[C@H](Cc1nn[nH]n1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
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n/an/a 1.70E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of C-terminal fluorescein-labeled human TCF4 (7 to 51 residues) binding to wild-type C-terminal His6-tagged beta-catenin (138 to 781 resid...


J Med Chem 62: 3617-3635 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00147
More data for this
Ligand-Target Pair
Wnt/beta-Catenin


(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
PDB

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n/an/a 2.00E+3n/an/an/an/an/an/a



Carna Biosciences, Inc

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
Wnt/beta-Catenin


(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
PDB

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n/an/a 2.00E+3n/an/an/an/an/an/a



Carna Biosciences, Inc

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
Wnt/beta-Catenin


(Homo sapiens (Human))
BDBM148397
PNG
(US9682961, 40)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4ccncc4c3)nc12
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

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


(Homo sapiens (Human))
BDBM396290
PNG
(US10314832, Compound 6)
Show SMILES Oc1cccc(c1)C(=O)CCC(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C18H16O5/c19-14-3-1-2-12(10-14)15(20)5-6-16(21)13-4-7-17-18(11-13)23-9-8-22-17/h1-4,7,10-11,19H,5-6,8-9H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds that enhance the Wnt activity, or Activators, were assayed as follows. Reporter cell lines were generated by stably transducing cells of ca...


US Patent US10314832 (2019)


BindingDB Entry DOI: 10.7270/Q2M047TC
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509813
PNG
(CHEMBL4451478)
Show SMILES OC(=O)CC[C@H](NC(=O)[C@H](Cc1nn[nH]n1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
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n/an/a 2.50E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of C-terminal fluorescein-labeled human TCF4 (7 to 51 residues) binding to wild-type C-terminal His6-tagged beta-catenin (138 to 781 resid...


J Med Chem 62: 3617-3635 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00147
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM396299
PNG
(US10314832, Compound 16)
Show SMILES O=C(CC(=O)c1ccc2OCCOc2c1)c1cccs1
Show InChI InChI=1S/C15H12O4S/c16-11(9-12(17)15-2-1-7-20-15)10-3-4-13-14(8-10)19-6-5-18-13/h1-4,7-8H,5-6,9H2
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n/an/a 2.57E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds that enhance the Wnt activity, or Activators, were assayed as follows. Reporter cell lines were generated by stably transducing cells of ca...


US Patent US10314832 (2019)


BindingDB Entry DOI: 10.7270/Q2M047TC
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM396302
PNG
(US10314832, Compound 19)
Show SMILES O=C(C(Cc1cccc2ccccc12)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H20O2/c27-25(20-11-3-1-4-12-20)24(26(28)21-13-5-2-6-14-21)18-22-16-9-15-19-10-7-8-17-23(19)22/h1-17,24H,18H2
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n/an/a 3.90E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds that enhance the Wnt activity, or Activators, were assayed as follows. Reporter cell lines were generated by stably transducing cells of ca...


US Patent US10314832 (2019)


BindingDB Entry DOI: 10.7270/Q2M047TC
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50436054
PNG
(CHEMBL2397077)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C111H178N40O20/c1-12-62(8)86-100(168)142-77(50-59(2)3)92(160)141-80(54-83(153)154)96(164)150-110(10,41-21-15-13-14-16-22-42-111(11,103(171)148-86)149-95(163)76(39-28-48-131-109(123)124)139-97(165)82-40-29-49-151(82)101(169)81(52-65-56-133-70-33-20-18-31-68(65)70)144-90(158)73(36-25-45-128-106(117)118)137-88(156)72(135-63(9)152)35-24-44-127-105(115)116)102(170)145-79(53-66-57-125-58-134-66)94(162)147-84(60(4)5)98(166)140-74(37-26-46-129-107(119)120)89(157)138-75(38-27-47-130-108(121)122)91(159)146-85(61(6)7)99(167)143-78(51-64-55-132-69-32-19-17-30-67(64)69)93(161)136-71(87(112)155)34-23-43-126-104(113)114/h13-14,17-20,30-33,55-62,71-82,84-86,132-133H,12,15-16,21-29,34-54H2,1-11H3,(H2,112,155)(H,125,134)(H,135,152)(H,136,161)(H,137,156)(H,138,157)(H,139,165)(H,140,166)(H,141,160)(H,142,168)(H,143,167)(H,144,158)(H,145,170)(H,146,159)(H,147,162)(H,148,171)(H,149,163)(H,150,164)(H,153,154)(H4,113,114,126)(H4,115,116,127)(H4,117,118,128)(H4,119,120,129)(H4,121,122,130)(H4,123,124,131)/b14-13-/t62-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,84-,85-,86-,110-,111-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of beta-catenin-mediated transcriptional activity in Wnt3a-stimulated human HeLa cells after 24 hrs by Dual-Glo luciferase reporter gene a...


Bioorg Med Chem 21: 4020-6 (2013)


Article DOI: 10.1016/j.bmc.2013.02.050
BindingDB Entry DOI: 10.7270/Q2BP046Z
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50436055
PNG
(CHEMBL2397076)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C110H174N38O21/c1-12-61(8)86-100(166)139-76(49-58(2)3)92(158)138-79(53-83(151)152)96(162)147-109(10,41-21-15-13-14-16-22-42-110(11,103(169)145-86)146-95(161)75(39-40-82(111)150)136-97(163)81-38-28-48-148(81)101(167)80(51-64-55-130-69-32-20-18-30-67(64)69)141-90(156)72(35-25-45-126-106(117)118)134-88(154)71(132-62(9)149)34-24-44-125-105(115)116)102(168)142-78(52-65-56-123-57-131-65)94(160)144-84(59(4)5)98(164)137-73(36-26-46-127-107(119)120)89(155)135-74(37-27-47-128-108(121)122)91(157)143-85(60(6)7)99(165)140-77(50-63-54-129-68-31-19-17-29-66(63)68)93(159)133-70(87(112)153)33-23-43-124-104(113)114/h13-14,17-20,29-32,54-61,70-81,84-86,129-130H,12,15-16,21-28,33-53H2,1-11H3,(H2,111,150)(H2,112,153)(H,123,131)(H,132,149)(H,133,159)(H,134,154)(H,135,155)(H,136,163)(H,137,164)(H,138,158)(H,139,166)(H,140,165)(H,141,156)(H,142,168)(H,143,157)(H,144,160)(H,145,169)(H,146,161)(H,147,162)(H,151,152)(H4,113,114,124)(H4,115,116,125)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)/b14-13-/t61-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,84-,85-,86-,109-,110-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of beta-catenin-mediated transcriptional activity in Wnt3a-stimulated human HeLa cells after 24 hrs by Dual-Glo luciferase reporter gene a...


Bioorg Med Chem 21: 4020-6 (2013)


Article DOI: 10.1016/j.bmc.2013.02.050
BindingDB Entry DOI: 10.7270/Q2BP046Z
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509810
PNG
(CHEMBL4464142)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N[C@@H](Cc1nn[nH]n1)C(=O)Nc1ccc(OC(F)(F)F)cc1
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n/an/a 5.90E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of C-terminal fluorescein-labeled human TCF4 (7 to 51 residues) binding to wild-type C-terminal His6-tagged beta-catenin (138 to 781 resid...


J Med Chem 62: 3617-3635 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00147
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM396301
PNG
(US10314832, Compound 18)
Show SMILES CCC(CC)(C(=O)c1ccccc1)C(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C21H22O4/c1-3-21(4-2,19(22)15-8-6-5-7-9-15)20(23)16-10-11-17-18(14-16)25-13-12-24-17/h5-11,14H,3-4,12-13H2,1-2H3
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US Patent
n/an/a 6.00E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds that enhance the Wnt activity, or Activators, were assayed as follows. Reporter cell lines were generated by stably transducing cells of ca...


US Patent US10314832 (2019)


BindingDB Entry DOI: 10.7270/Q2M047TC
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50014148
PNG
(CHEMBL3260853)
Show SMILES COC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)Cc1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C33H33ClN4O9/c1-47-33(46)25(10-11-29(40)41)37-32(45)27(17-30(42)43)38-31(44)26(13-18-6-7-19-4-2-3-5-20(19)12-18)36-28(39)16-23-15-21-14-22(34)8-9-24(21)35-23/h2-9,12,14-15,25-27,35H,10-11,13,16-17H2,1H3,(H,36,39)(H,37,45)(H,38,44)(H,40,41)(H,42,43)/t25-,26-,27-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human wild-type beta-catenin (residues 138-686)/C-terminally fluorescein labeled human wild-type Tcf4 (residues 7-51) interaction after...


J Med Chem 58: 4678-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00223
BindingDB Entry DOI: 10.7270/Q2G44S28
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509801
PNG
(CHEMBL4464433)
Show SMILES OC(=O)CC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccc(cc1)C(F)(F)F
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n/an/a 7.30E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of C-terminal fluorescein-labeled human TCF4 (7 to 51 residues) binding to wild-type C-terminal His6-tagged beta-catenin (138 to 781 resid...


J Med Chem 62: 3617-3635 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00147
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509781
PNG
(CHEMBL4450852)
Show SMILES OC(=O)CC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
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n/an/a 7.50E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of C-terminal fluorescein-labeled human TCF4 (7 to 51 residues) binding to wild-type C-terminal His6-tagged beta-catenin (138 to 781 resid...


J Med Chem 62: 3617-3635 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00147
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509803
PNG
(CHEMBL4449577)
Show SMILES OC(=O)CC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1cccc(OC(F)(F)F)c1
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n/an/a 8.50E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of C-terminal fluorescein-labeled human TCF4 (7 to 51 residues) binding to wild-type C-terminal His6-tagged beta-catenin (138 to 781 resid...


J Med Chem 62: 3617-3635 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00147
More data for this
Ligand-Target Pair
TCF4-CTNNB1 complex


(Homo sapiens (Human))
BDBM50500847
PNG
(CERCOSPORIN | Cercosporin)
Show SMILES COc1c(CC(C)O)c2c3c(CC(C)O)c(OC)c(=O)c4c(O)cc5OCOc6cc(O)c(c2c6c5c34)c1=O
Show InChI InChI=1S/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-33H,5-6,9H2,1-4H3
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n/an/a 8.70E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human GST tagged Tcf4/beta catenin interaction after 2 hrs using fluorescent AP Attophos substrate by ELISA analysis


Bioorg Med Chem Lett 26: 1664-70 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.064
BindingDB Entry DOI: 10.7270/Q25H7K8M
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509802
PNG
(CHEMBL4515157)
Show SMILES OC(=O)CC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1cccc(c1)C(F)(F)F
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n/an/a 8.90E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of C-terminal fluorescein-labeled human TCF4 (7 to 51 residues) binding to wild-type C-terminal His6-tagged beta-catenin (138 to 781 resid...


J Med Chem 62: 3617-3635 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00147
More data for this
Ligand-Target Pair
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