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Compile Data Set for Download or QSAR

Found 119 hits of ic50 for UniProtKB: P35222   
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


(Homo sapiens (Human))
BDBM50408050
PNG
(CHEMBL5282944)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-c1ccccc1
Show InChI InChI=1S/C57H83N19O13S/c58-37(17-7-21-65-55(59)60)47(81)71-38(18-8-22-66-56(61)62)51(85)74-24-10-20-43(74)53(87)76-30-35(78)27-44(76)50(84)68-29-45(79)70-40(28-36-16-11-25-90-36)48(82)73-42(32-77)49(83)72-41(26-33-12-3-1-4-13-33)52(86)75(34-14-5-2-6-15-34)31-46(80)69-39(54(88)89)19-9-23-67-57(63)64/h1-6,11-16,25,35,37-44,77-78H,7-10,17-24,26-32,58H2,(H,68,84)(H,69,80)(H,70,79)(H,71,81)(H,72,83)(H,73,82)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t35-,37+,38+,39+,40+,41-,42+,43+,44+/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a


TBA

Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach


Citation and Details
More data for this
Ligand-Target Pair
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
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n/an/a 13n/an/an/an/an/an/a



Novartis



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...


J Med Chem 52: 3523-38 (2009)


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



Novartis



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...


J Med Chem 52: 3523-38 (2009)


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



Novartis



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...


J Med Chem 52: 3523-38 (2009)


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



Novartis



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...


J Med Chem 52: 3523-38 (2009)


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



Novartis



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...


J Med Chem 52: 3523-38 (2009)


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


(Homo sapiens (Human))
BDBM50014132
PNG
(CHEMBL2323032)
Show SMILES On1ncc2cc(CCc3nn[nH]n3)ccc12
Show InChI InChI=1S/C10H10N6O/c17-16-9-3-1-7(5-8(9)6-11-16)2-4-10-12-14-15-13-10/h1,3,5-6,17H,2,4H2,(H,12,13,14,15)
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n/an/a 500n/an/an/an/an/an/a


TBA

Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach


Citation and Details
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



Novartis



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...


J Med Chem 52: 3523-38 (2009)


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



Novartis



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...


J Med Chem 52: 3523-38 (2009)


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



Novartis



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...


J Med Chem 52: 3523-38 (2009)


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 |r|
Show InChI InChI=1S/C38H32Cl2F3N9O7/c39-22-15-26(40)25-17-30(45-28(25)16-22)36(57)47-29(14-19-5-6-20-3-1-2-4-21(20)13-19)35(56)48-31(18-32-49-51-52-50-32)37(58)46-27(11-12-33(53)54)34(55)44-23-7-9-24(10-8-23)59-38(41,42)43/h1-10,13,15-17,27,29,31,45H,11-12,14,18H2,(H,44,55)(H,46,58)(H,47,57)(H,48,56)(H,53,54)(H,49,50,51,52)/t27-,29-,31-/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50589223
PNG
(CHEMBL5185515)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N2CCN(C\C=C\c3ccccc3)CC2)cc1
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00228
BindingDB Entry DOI: 10.7270/Q2GQ72Q3
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



Novartis



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...


J Med Chem 52: 3523-38 (2009)


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 |r|
Show InChI InChI=1S/C38H33ClF3N9O7/c39-24-7-12-27-23(17-24)18-30(44-27)36(56)46-29(16-20-5-6-21-3-1-2-4-22(21)15-20)35(55)47-31(19-32-48-50-51-49-32)37(57)45-28(13-14-33(52)53)34(54)43-25-8-10-26(11-9-25)58-38(40,41)42/h1-12,15,17-18,28-29,31,44H,13-14,16,19H2,(H,43,54)(H,45,57)(H,46,56)(H,47,55)(H,52,53)(H,48,49,50,51)/t28-,29-,31-/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2KP85G5
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



Novartis



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...


J Med Chem 52: 3523-38 (2009)


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



Novartis



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...


J Med Chem 52: 3523-38 (2009)


BindingDB Entry DOI: 10.7270/Q2M047TC
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 |r,wU:8.8,18.18,2.2,31.31,23.23,42.42,59.60,81.82,102.105,116.125,132.149,146.160,157.171,wD:4.3,18.39,52.53,70.71,88.89,8.116,125.128,c:13,(20.12,-51.04,;18.77,-50.3,;18.73,-48.76,;20.04,-47.96,;17.37,-48.03,;16.05,-48.83,;14.7,-48.11,;14.65,-46.57,;13.36,-48.91,;12.59,-50.22,;14.13,-50.23,;13.35,-51.56,;14.12,-52.89,;25.82,-50.54,;26.59,-49.21,;25.83,-47.88,;26.6,-46.55,;25.84,-45.22,;26.6,-43.9,;27.36,-45.22,;25.24,-43.18,;23.93,-43.98,;23.96,-45.52,;22.55,-43.25,;22.51,-41.71,;23.83,-40.89,;25.2,-41.63,;23.79,-39.35,;21.26,-44.05,;19.9,-43.33,;19.86,-41.79,;18.59,-44.13,;17.25,-43.4,;17.2,-41.86,;15.82,-41.13,;18.5,-41.05,;18.64,-45.67,;17.33,-46.49,;15.96,-45.75,;27.92,-43.1,;27.88,-41.56,;29.28,-43.82,;30.59,-43.02,;30.55,-41.48,;31.86,-40.66,;31.98,-39.12,;33.47,-38.76,;34.28,-40.08,;33.28,-41.25,;31.94,-43.75,;32,-45.29,;33.25,-42.94,;34.61,-43.67,;34.65,-45.21,;33.34,-46.02,;36.02,-45.95,;35.92,-42.86,;35.87,-41.32,;37.28,-43.59,;38.59,-42.78,;38.54,-41.24,;39.88,-40.43,;39.83,-38.89,;41.13,-38.08,;41.1,-36.54,;39.74,-35.81,;42.4,-35.73,;39.96,-43.51,;40.01,-45.05,;41.28,-42.7,;42.62,-43.43,;42.67,-44.98,;44.03,-45.71,;44.07,-47.25,;45.43,-47.99,;45.48,-49.53,;46.84,-50.26,;44.16,-50.34,;43.94,-42.62,;43.9,-41.08,;45.3,-43.36,;46.61,-42.55,;46.57,-41,;45.21,-40.27,;47.89,-40.2,;47.97,-43.28,;48.02,-44.82,;49.29,-42.47,;50.65,-43.2,;50.69,-44.75,;52.05,-45.48,;53.43,-44.81,;54.5,-45.93,;53.77,-47.28,;54.28,-48.74,;53.28,-49.92,;51.77,-49.63,;51.25,-48.18,;52.26,-47,;51.96,-42.4,;51.91,-40.85,;53.3,-43.13,;54.62,-42.32,;54.58,-40.78,;55.89,-39.97,;55.85,-38.42,;57.16,-37.61,;58.52,-38.35,;59.84,-37.54,;58.57,-39.89,;55.98,-43.05,;57.29,-42.24,;56.03,-44.59,;12.02,-48.16,;10.71,-48.95,;10.73,-50.48,;9.37,-48.19,;9.35,-46.66,;10.66,-45.87,;10.64,-44.34,;9.3,-43.59,;11.96,-43.56,;8.05,-48.98,;6.71,-48.23,;6.69,-46.7,;5.38,-49.01,;5.25,-50.55,;3.76,-50.89,;2.97,-49.57,;3.98,-48.41,;3.64,-46.92,;4.77,-45.87,;2.18,-46.46,;1.83,-44.97,;2.96,-43.92,;4.45,-44.22,;5.2,-42.89,;4.17,-41.77,;4.31,-40.23,;3.05,-39.35,;1.65,-40,;1.52,-41.52,;2.77,-42.4,;1.04,-47.51,;-.42,-47.05,;-.77,-45.56,;-1.55,-48.1,;-3.02,-47.64,;-3.36,-46.15,;-4.83,-45.69,;-5.18,-44.19,;-6.64,-43.74,;-6.98,-42.24,;-7.76,-44.79,;-1.21,-49.59,;-2.35,-50.63,;-3.81,-50.18,;-2.01,-52.13,;-3.12,-53.17,;-4.59,-52.72,;-5.71,-53.77,;-7.19,-53.31,;-8.31,-54.36,;-9.78,-53.9,;-7.97,-55.85,;-.54,-52.58,;-.2,-54.08,;1.28,-54.54,;-1.32,-55.13,)|
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))
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 |r,wU:8.8,18.18,2.2,31.31,23.23,42.42,59.60,81.82,102.105,116.127,134.151,148.162,159.173,wD:4.3,18.39,52.53,70.71,88.89,8.116,127.130,c:13,(25.34,-10.98,;23.99,-10.24,;23.95,-8.7,;25.26,-7.9,;22.59,-7.97,;21.26,-8.77,;19.92,-8.05,;19.87,-6.51,;18.58,-8.85,;17.81,-10.16,;19.34,-10.17,;18.57,-11.5,;19.33,-12.83,;31.04,-10.48,;31.81,-9.15,;31.04,-7.82,;31.82,-6.49,;31.05,-5.16,;31.82,-3.84,;32.58,-5.16,;30.46,-3.12,;29.14,-3.92,;29.18,-5.46,;27.77,-3.19,;27.73,-1.65,;29.05,-.83,;30.42,-1.57,;29.01,.71,;26.48,-3.99,;25.11,-3.27,;25.08,-1.73,;23.81,-4.07,;22.47,-3.34,;22.42,-1.8,;21.04,-1.07,;23.72,-.98,;23.86,-5.61,;22.55,-6.43,;21.18,-5.69,;33.14,-3.04,;33.09,-1.5,;34.5,-3.76,;35.81,-2.96,;35.76,-1.42,;37.08,-.6,;37.2,.95,;38.69,1.3,;39.49,-.02,;38.5,-1.19,;37.16,-3.69,;37.22,-5.23,;38.47,-2.88,;39.83,-3.61,;39.87,-5.15,;38.56,-5.96,;41.24,-5.89,;41.14,-2.8,;41.09,-1.26,;42.49,-3.53,;43.81,-2.72,;43.76,-1.18,;45.09,-.37,;45.05,1.18,;46.35,2,;46.31,3.54,;44.96,4.26,;47.62,4.34,;45.18,-3.45,;45.23,-4.99,;46.5,-2.64,;47.84,-3.37,;47.89,-4.92,;49.25,-5.65,;49.29,-7.19,;50.65,-7.93,;50.7,-9.47,;52.06,-10.2,;49.38,-10.28,;49.15,-2.56,;49.12,-1.02,;50.52,-3.3,;51.83,-2.49,;51.79,-.94,;50.43,-.21,;53.11,-.14,;53.19,-3.22,;53.24,-4.76,;54.51,-2.41,;55.87,-3.14,;55.91,-4.69,;57.27,-5.42,;58.65,-4.74,;59.71,-5.87,;58.99,-7.22,;59.5,-8.68,;58.5,-9.85,;56.98,-9.57,;56.47,-8.12,;57.48,-6.94,;57.18,-2.34,;57.13,-.79,;58.52,-3.07,;59.84,-2.26,;59.8,-.72,;61.11,.1,;61.07,1.65,;62.38,2.45,;63.74,1.72,;65.06,2.53,;63.79,.18,;61.2,-2.99,;62.51,-2.18,;61.25,-4.53,;17.24,-8.1,;15.92,-8.88,;15.95,-10.42,;14.59,-8.13,;14.57,-6.6,;15.88,-5.81,;15.86,-4.28,;17.23,-3.46,;17.21,-1.86,;18.58,-1.05,;15.81,-1.09,;13.26,-8.92,;11.93,-8.17,;11.9,-6.64,;10.6,-8.95,;10.47,-10.49,;8.97,-10.83,;8.19,-9.51,;9.2,-8.35,;8.86,-6.86,;9.99,-5.81,;7.39,-6.4,;7.05,-4.91,;8.18,-3.86,;9.67,-4.16,;10.42,-2.83,;9.39,-1.71,;9.53,-.17,;8.27,.72,;6.87,.07,;6.74,-1.46,;7.99,-2.34,;6.26,-7.45,;4.8,-6.99,;4.46,-5.5,;3.67,-8.04,;2.21,-7.58,;1.86,-6.09,;.4,-5.63,;.06,-4.13,;-1.42,-3.68,;-1.77,-2.18,;-2.55,-4.73,;4.01,-9.53,;2.89,-10.57,;1.42,-10.12,;3.22,-12.07,;2.1,-13.11,;.63,-12.66,;-.49,-13.71,;-1.97,-13.25,;-3.09,-14.3,;-4.56,-13.84,;-2.75,-15.79,;4.69,-12.52,;5.03,-14.02,;6.5,-14.48,;3.91,-15.07,)|
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))
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 |r|
Show InChI InChI=1S/C37H31ClF3N9O7/c38-23-7-12-26-22(15-23)16-28(43-26)35(55)44-27(14-19-5-6-20-3-1-2-4-21(20)13-19)34(54)46-30(18-32(51)52)36(56)45-29(17-31-47-49-50-48-31)33(53)42-24-8-10-25(11-9-24)57-37(39,40)41/h1-13,15-16,27,29-30,43H,14,17-18H2,(H,42,53)(H,44,55)(H,45,56)(H,46,54)(H,51,52)(H,47,48,49,50)/t27-,29-,30-/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2KP85G5
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



Novartis



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...


J Med Chem 52: 3523-38 (2009)


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 |r|
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 |r|
Show InChI InChI=1S/C38H33ClF3N5O8/c39-25-9-12-27-23(17-25)18-30(44-27)36(54)46-29(16-20-5-6-21-3-1-2-4-22(21)15-20)35(53)47-31(19-33(50)51)37(55)45-28(13-14-32(48)49)34(52)43-26-10-7-24(8-11-26)38(40,41)42/h1-12,15,17-18,28-29,31,44H,13-14,16,19H2,(H,43,52)(H,45,55)(H,46,54)(H,47,53)(H,48,49)(H,50,51)/t28-,29-,31-/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2KP85G5
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 |r|
Show InChI InChI=1S/C38H33ClF3N5O9/c39-24-7-12-27-23(17-24)18-30(44-27)36(54)46-29(16-20-5-6-21-3-1-2-4-22(21)15-20)35(53)47-31(19-33(50)51)37(55)45-28(13-14-32(48)49)34(52)43-25-8-10-26(11-9-25)56-38(40,41)42/h1-12,15,17-18,28-29,31,44H,13-14,16,19H2,(H,43,52)(H,45,55)(H,46,54)(H,47,53)(H,48,49)(H,50,51)/t28-,29-,31-/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2KP85G5
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 |r|
Show InChI InChI=1S/C38H33ClF3N5O9/c39-24-10-11-27-23(16-24)17-30(44-27)36(54)46-29(15-20-8-9-21-4-1-2-5-22(21)14-20)35(53)47-31(19-33(50)51)37(55)45-28(12-13-32(48)49)34(52)43-25-6-3-7-26(18-25)56-38(40,41)42/h1-11,14,16-18,28-29,31,44H,12-13,15,19H2,(H,43,52)(H,45,55)(H,46,54)(H,47,53)(H,48,49)(H,50,51)/t28-,29-,31-/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2KP85G5
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 |r|
Show InChI InChI=1S/C38H33ClF3N5O8/c39-25-10-11-27-23(16-25)17-30(44-27)36(54)46-29(15-20-8-9-21-4-1-2-5-22(21)14-20)35(53)47-31(19-33(50)51)37(55)45-28(12-13-32(48)49)34(52)43-26-7-3-6-24(18-26)38(40,41)42/h1-11,14,16-18,28-29,31,44H,12-13,15,19H2,(H,43,52)(H,45,55)(H,46,54)(H,47,53)(H,48,49)(H,50,51)/t28-,29-,31-/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509818
PNG
(CHEMBL4579221)
Show SMILES COc1cccc(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 |r|
Show InChI InChI=1S/C38H36ClN5O9/c1-53-27-8-4-7-26(19-27)40-35(49)29(13-14-33(45)46)42-38(52)32(20-34(47)48)44-36(50)30(16-21-9-10-22-5-2-3-6-23(22)15-21)43-37(51)31-18-24-17-25(39)11-12-28(24)41-31/h2-12,15,17-19,29-30,32,41H,13-14,16,20H2,1H3,(H,40,49)(H,42,52)(H,43,51)(H,44,50)(H,45,46)(H,47,48)/t29-,30-,32-/m0/s1
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n/an/a 9.30E+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
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509819
PNG
(CHEMBL4460073)
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)Nc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C38H34ClN5O10/c39-24-7-9-26-23(15-24)16-29(41-26)37(51)43-28(14-20-5-6-21-3-1-2-4-22(21)13-20)36(50)44-30(18-34(47)48)38(52)42-27(10-12-33(45)46)35(49)40-25-8-11-31-32(17-25)54-19-53-31/h1-9,11,13,15-17,27-28,30,41H,10,12,14,18-19H2,(H,40,49)(H,42,52)(H,43,51)(H,44,50)(H,45,46)(H,47,48)/t27-,28-,30-/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509804
PNG
(CHEMBL4455488)
Show SMILES COc1cc(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C39H35ClF3N5O9/c1-57-27-17-24(39(41,42)43)16-26(18-27)44-35(53)29(10-11-33(49)50)46-38(56)32(19-34(51)52)48-36(54)30(13-20-6-7-21-4-2-3-5-22(21)12-20)47-37(55)31-15-23-14-25(40)8-9-28(23)45-31/h2-9,12,14-18,29-30,32,45H,10-11,13,19H2,1H3,(H,44,53)(H,46,56)(H,47,55)(H,48,54)(H,49,50)(H,51,52)/t29-,30-,32-/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM396293
PNG
(US10314832, Compound 9)
Show SMILES CC(C)(CC(=O)c1ccccn1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H17NO2/c1-17(2,16(20)13-8-4-3-5-9-13)12-15(19)14-10-6-7-11-18-14/h3-11H,12H2,1-2H3
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Novartis



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...


J Med Chem 52: 3523-38 (2009)


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


(Homo sapiens (Human))
BDBM396297
PNG
(US10314832, Compound 14)
Show SMILES O=C(CCC(=O)c1ccc2OCCOc2c1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H18O6/c21-15(13-1-5-17-19(11-13)25-9-7-23-17)3-4-16(22)14-2-6-18-20(12-14)26-10-8-24-18/h1-2,5-6,11-12H,3-4,7-10H2
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Novartis



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...


J Med Chem 52: 3523-38 (2009)


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


(Homo sapiens (Human))
BDBM396294
PNG
(US10314832, Compound 10)
Show SMILES COc1ccc(cc1)C(=O)CCC(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H18O5/c1-22-15-5-2-13(3-6-15)16(20)7-8-17(21)14-4-9-18-19(12-14)24-11-10-23-18/h2-6,9,12H,7-8,10-11H2,1H3
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Novartis



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...


J Med Chem 52: 3523-38 (2009)


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


(Homo sapiens (Human))
BDBM396300
PNG
(US10314832, Compound 17)
Show SMILES CCC(C(=O)c1ccccc1)C(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H18O4/c1-2-15(18(20)13-6-4-3-5-7-13)19(21)14-8-9-16-17(12-14)23-11-10-22-16/h3-9,12,15H,2,10-11H2,1H3
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Novartis



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...


J Med Chem 52: 3523-38 (2009)


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


(Homo sapiens (Human))
BDBM50509817
PNG
(CHEMBL4565782)
Show SMILES COc1ccc(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 |r|
Show InChI InChI=1S/C38H36ClN5O9/c1-53-27-11-9-26(10-12-27)40-35(49)29(14-15-33(45)46)42-38(52)32(20-34(47)48)44-36(50)30(17-21-6-7-22-4-2-3-5-23(22)16-21)43-37(51)31-19-24-18-25(39)8-13-28(24)41-31/h2-13,16,18-19,29-30,32,41H,14-15,17,20H2,1H3,(H,40,49)(H,42,52)(H,43,51)(H,44,50)(H,45,46)(H,47,48)/t29-,30-,32-/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2KP85G5
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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Novartis



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...


J Med Chem 52: 3523-38 (2009)


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


(Homo sapiens (Human))
BDBM396296
PNG
(US10314832, Compound 12)
Show SMILES COCCOCOc1cccc(c1)C(=O)CCC(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C22H24O7/c1-25-9-10-26-15-29-18-4-2-3-16(13-18)19(23)6-7-20(24)17-5-8-21-22(14-17)28-12-11-27-21/h2-5,8,13-14H,6-7,9-12,15H2,1H3
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Novartis



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...


J Med Chem 52: 3523-38 (2009)


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


(Homo sapiens (Human))
BDBM50509799
PNG
(CHEMBL4532791)
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(Cl)cc1 |r|
Show InChI InChI=1S/C37H33Cl2N5O8/c38-24-7-10-26(11-8-24)40-34(49)28(13-14-32(45)46)42-37(52)31(19-33(47)48)44-35(50)29(16-20-5-6-21-3-1-2-4-22(21)15-20)43-36(51)30-18-23-17-25(39)9-12-27(23)41-30/h1-12,15,17-18,28-29,31,41H,13-14,16,19H2,(H,40,49)(H,42,52)(H,43,51)(H,44,50)(H,45,46)(H,47,48)/t28-,29-,31-/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509807
PNG
(CHEMBL4560197)
Show SMILES OC(=O)CC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C37H34ClN5O8/c38-24-13-14-27-23(17-24)19-29(40-27)35(49)42-30(18-22-9-6-8-21-7-4-5-12-26(21)22)36(50)43-31(20-33(46)47)37(51)41-28(15-16-32(44)45)34(48)39-25-10-2-1-3-11-25/h1-14,17,19,28,30-31,40H,15-16,18,20H2,(H,39,48)(H,41,51)(H,42,49)(H,43,50)(H,44,45)(H,46,47)/t28-,30-,31-/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50577925
PNG
(CHEMBL4846565)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1cn[nH]c1)C1CC1)C(=O)N1CCNCC1 |r|
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TBA

Assay Description
Inhibition of beta-catenin (unknown origin) transfected in HEK293 cells cotransfected with pCMV-RL assessed as reduction in luciferase activity measu...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509829
PNG
(CHEMBL4456139)
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(Cl)c1 |r|
Show InChI InChI=1S/C37H33Cl2N5O8/c38-24-6-3-7-26(18-24)40-34(49)28(12-13-32(45)46)42-37(52)31(19-33(47)48)44-35(50)29(15-20-8-9-21-4-1-2-5-22(21)14-20)43-36(51)30-17-23-16-25(39)10-11-27(23)41-30/h1-11,14,16-18,28-29,31,41H,12-13,15,19H2,(H,40,49)(H,42,52)(H,43,51)(H,44,50)(H,45,46)(H,47,48)/t28-,29-,31-/m0/s1
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n/an/a 1.20E+4n/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
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509833
PNG
(CHEMBL4464915)
Show SMILES COc1cc(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc(OC)c1 |r|
Show InChI InChI=1S/C39H38ClN5O10/c1-54-27-17-26(18-28(19-27)55-2)41-36(50)30(11-12-34(46)47)43-39(53)33(20-35(48)49)45-37(51)31(14-21-7-8-22-5-3-4-6-23(22)13-21)44-38(52)32-16-24-15-25(40)9-10-29(24)42-32/h3-10,13,15-19,30-31,33,42H,11-12,14,20H2,1-2H3,(H,41,50)(H,43,53)(H,44,52)(H,45,51)(H,46,47)(H,48,49)/t30-,31-,33-/m0/s1
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n/an/a 1.30E+4n/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
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509796
PNG
(CHEMBL4535419)
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)Nc1ccccc1 |r|
Show InChI InChI=1S/C37H34ClN5O8/c38-25-12-13-27-24(18-25)19-30(40-27)36(50)42-29(17-21-10-11-22-6-4-5-7-23(22)16-21)35(49)43-31(20-33(46)47)37(51)41-28(14-15-32(44)45)34(48)39-26-8-2-1-3-9-26/h1-13,16,18-19,28-29,31,40H,14-15,17,20H2,(H,39,48)(H,41,51)(H,42,50)(H,43,49)(H,44,45)(H,46,47)/t28-,29-,31-/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509780
PNG
(CHEMBL4538548)
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(F)c1 |r|
Show InChI InChI=1S/C37H33ClFN5O8/c38-24-10-11-27-23(16-24)17-30(41-27)36(51)43-29(15-20-8-9-21-4-1-2-5-22(21)14-20)35(50)44-31(19-33(47)48)37(52)42-28(12-13-32(45)46)34(49)40-26-7-3-6-25(39)18-26/h1-11,14,16-18,28-29,31,41H,12-13,15,19H2,(H,40,49)(H,42,52)(H,43,51)(H,44,50)(H,45,46)(H,47,48)/t28-,29-,31-/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50014132
PNG
(CHEMBL2323032)
Show SMILES On1ncc2cc(CCc3nn[nH]n3)ccc12
Show InChI InChI=1S/C10H10N6O/c17-16-9-3-1-7(5-8(9)6-11-16)2-4-10-12-14-15-13-10/h1,3,5-6,17H,2,4H2,(H,12,13,14,15)
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n/an/a 1.30E+4n/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))
BDBM50509798
PNG
(CHEMBL4515538)
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)Nc1ccccc1F |r|
Show InChI InChI=1S/C37H33ClFN5O8/c38-24-11-12-26-23(17-24)18-30(40-26)36(51)43-29(16-20-9-10-21-5-1-2-6-22(21)15-20)35(50)44-31(19-33(47)48)37(52)42-28(13-14-32(45)46)34(49)41-27-8-4-3-7-25(27)39/h1-12,15,17-18,28-29,31,40H,13-14,16,19H2,(H,41,49)(H,42,52)(H,43,51)(H,44,50)(H,45,46)(H,47,48)/t28-,29-,31-/m0/s1
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n/an/a 1.40E+4n/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
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509805
PNG
(CHEMBL4451874)
Show SMILES OC(=O)CC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C33H30Cl3N5O8/c34-19-7-9-23-18(14-19)15-26(38-23)32(48)40-25(13-17-6-8-21(35)22(36)12-17)31(47)41-27(16-29(44)45)33(49)39-24(10-11-28(42)43)30(46)37-20-4-2-1-3-5-20/h1-9,12,14-15,24-25,27,38H,10-11,13,16H2,(H,37,46)(H,39,49)(H,40,48)(H,41,47)(H,42,43)(H,44,45)/t24-,25-,27-/m0/s1
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n/an/a 1.40E+4n/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
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50094490
PNG
(CHEMBL3589156)
Show SMILES OC(=O)CCCn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C14H11N5O3/c20-10(21)6-3-7-19-9-5-2-1-4-8(9)11-14(19)16-13-12(15-11)17-22-18-13/h1-2,4-5H,3,6-7H2,(H,20,21)
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n/an/a 1.50E+4n/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))
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 |r|
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 1.50E+4n/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
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50577931
PNG
(CHEMBL4863751)
Show SMILES Cl.CCN(Cc1ccc(cc1)-c1cn[nH]c1)C(=O)[C@@H]1CCCN(C1)c1cccc(OC(C)(C)C(=O)N2CCNCC2)c1 |r|
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n/an/a 1.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta-catenin (unknown origin) transfected in HEK293 cells cotransfected with pCMV-RL assessed as reduction in luciferase activity measu...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509823
PNG
(CHEMBL4561695)
Show SMILES NC(=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 |r|
Show InChI InChI=1S/C38H34ClF3N10O6/c39-24-7-12-27-23(17-24)18-30(45-27)36(56)47-29(16-20-5-6-21-3-1-2-4-22(21)15-20)35(55)48-31(19-33-49-51-52-50-33)37(57)46-28(13-14-32(43)53)34(54)44-25-8-10-26(11-9-25)58-38(40,41)42/h1-12,15,17-18,28-29,31,45H,13-14,16,19H2,(H2,43,53)(H,44,54)(H,46,57)(H,47,56)(H,48,55)(H,49,50,51,52)/t28-,29-,31-/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509827
PNG
(CHEMBL4544508)
Show SMILES COC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 |r|
Show InChI InChI=1S/C32H30Cl2N4O9/c1-47-32(46)22(8-9-27(39)40)36-31(45)26(15-28(41)42)38-29(43)24(11-16-6-7-17-4-2-3-5-18(17)10-16)37-30(44)25-14-20-21(34)12-19(33)13-23(20)35-25/h2-7,10,12-14,22,24,26,35H,8-9,11,15H2,1H3,(H,36,45)(H,37,44)(H,38,43)(H,39,40)(H,41,42)/t22-,24-,26-/m0/s1
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n/an/a 1.70E+4n/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
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair
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