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Compile Data Set for Download or QSAR

Found 226 hits of ki 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))
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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440n/an/an/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))
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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640n/an/an/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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1.00E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of N-terminally His6-tagged human beta-catenin (residues 138-686)/C-terminally biotinylated human Tcf4 (residues 7-51) interaction after 4...


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))
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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1.00E+3n/an/an/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))
BDBM50094590
PNG
(CHEMBL3589012)
Show SMILES Nc1nonc1C(=O)N\N=C1\c2ccccc2-c2nc3nonc3nc12
Show InChI InChI=1S/C22H18N4S/c1-14(15-8-3-2-4-9-15)26-17-11-6-5-10-16(17)19-20(23)24-21(25-22(19)26)18-12-7-13-27-18/h2-14H,1H3,(H2,23,24,25)/t14-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of N-terminally His6-tagged human beta-catenin (residues 138-686)/C-terminally biotinylated human Tcf4 (residues 7-51) interaction after 4...


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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1.30E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of N-terminally His6-tagged human beta-catenin (residues 138-686)/C-terminally biotinylated human Tcf4 (residues 7-51) interaction after 4...


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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1.36E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive binding affinity to human beta-catenin (142 to 686) assessed as inhibition of C-terminally fluorescein-labeled Tcf4 interaction after 3 h...


Bioorg Med Chem Lett 24: 2546-54 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.095
BindingDB Entry DOI: 10.7270/Q2FX7C05
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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1.40E+3n/an/an/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))
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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1.50E+3n/an/an/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))
BDBM50094590
PNG
(CHEMBL3589012)
Show SMILES Nc1nonc1C(=O)N\N=C1\c2ccccc2-c2nc3nonc3nc12
Show InChI InChI=1S/C22H18N4S/c1-14(15-8-3-2-4-9-15)26-17-11-6-5-10-16(17)19-20(23)24-21(25-22(19)26)18-12-7-13-27-18/h2-14H,1H3,(H2,23,24,25)/t14-/m0/s1
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1.70E+3n/an/an/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))
BDBM50436058
PNG
(CHEMBL254381 | PNU-74654 | US9738628, Compound PNU...)
Show SMILES Cc1ccc(\C=N\NC(=O)c2ccccc2Oc2ccccc2)o1
Show InChI InChI=1S/C19H16N2O3/c1-14-11-12-16(23-14)13-20-21-19(22)17-9-5-6-10-18(17)24-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,22)/b20-13+
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1.80E+3n/an/an/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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1.90E+3n/an/an/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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1.90E+3n/an/an/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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2.20E+3n/an/an/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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2.30E+3n/an/an/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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2.40E+3n/an/an/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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2.50E+3n/an/an/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))
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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2.60E+3n/an/an/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))
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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2.60E+3n/an/an/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))
BDBM50094510
PNG
(CHEMBL3589019)
Show SMILES Nc1nonc1NC(=O)Cn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C14H9N9O3/c15-10-11(20-25-19-10)16-8(24)5-23-7-4-2-1-3-6(7)9-14(23)18-13-12(17-9)21-26-22-13/h1-4H,5H2,(H2,15,19)(H,16,20,24)
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2.70E+3n/an/an/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))
BDBM50094510
PNG
(CHEMBL3589019)
Show SMILES Nc1nonc1NC(=O)Cn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C14H9N9O3/c15-10-11(20-25-19-10)16-8(24)5-23-7-4-2-1-3-6(7)9-14(23)18-13-12(17-9)21-26-22-13/h1-4H,5H2,(H2,15,19)(H,16,20,24)
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2.70E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of N-terminally His6-tagged human beta-catenin (residues 138-686)/C-terminally biotinylated human Tcf4 (residues 7-51) interaction after 4...


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))
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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2.70E+3n/an/an/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))
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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2.90E+3n/an/an/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))
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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3.00E+3n/an/an/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))
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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3.10E+3n/an/an/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))
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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3.10E+3n/an/an/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 [138-686]/Transcription factor 4 [7-51]


(Homo sapiens (Human))
BDBM213761
PNG
(US9284299, 12 | US9738628, Compound 12)
Show SMILES On1nnc2cc(CCc3nn[nH]n3)ccc12
Show InChI InChI=1S/C9H9N7O/c17-16-8-3-1-6(5-7(8)10-15-16)2-4-9-11-13-14-12-9/h1,3,5,17H,2,4H2,(H,11,12,13,14)
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US Patent
3.14E+3 -7.50n/an/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in 96-well Microfluor 2 black plates (Waltham, Mass.), and the samples were read by a Synergy 2 plate reader (Biotek, Wino...


US Patent US9284299 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GGC
More data for this
Ligand-Target Pair
Catenin beta-1 [138-686]


(Homo sapiens (Human))
BDBM213761
PNG
(US9284299, 12 | US9738628, Compound 12)
Show SMILES On1nnc2cc(CCc3nn[nH]n3)ccc12
Show InChI InChI=1S/C9H9N7O/c17-16-8-3-1-6(5-7(8)10-15-16)2-4-9-11-13-14-12-9/h1,3,5,17H,2,4H2,(H,11,12,13,14)
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3.14E+3n/an/an/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in white opaque 384-well plates from PerkinElmer (Waltham, Mass.), and the samples were read on a Synergy 2 plate reader (...


US Patent US9738628 (2017)


BindingDB Entry DOI: 10.7270/Q27P91H7
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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3.14E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive binding affinity to human beta-catenin (142 to 686) assessed as inhibition of C-terminally fluorescein-labeled Tcf4 interaction after 3 h...


Bioorg Med Chem Lett 24: 2546-54 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.095
BindingDB Entry DOI: 10.7270/Q2FX7C05
More data for this
Ligand-Target Pair
Catenin beta-1 [138-686]


(Homo sapiens (Human))
BDBM213761
PNG
(US9284299, 12 | US9738628, Compound 12)
Show SMILES On1nnc2cc(CCc3nn[nH]n3)ccc12
Show InChI InChI=1S/C9H9N7O/c17-16-8-3-1-6(5-7(8)10-15-16)2-4-9-11-13-14-12-9/h1,3,5,17H,2,4H2,(H,11,12,13,14)
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3.14E+3 -7.50n/an/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in 96-well Microfluor 2 black plates (Waltham, Mass.), and the samples were read by a Synergy 2 plate reader (Biotek, Wino...


US Patent US9284299 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GGC
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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3.30E+3n/an/an/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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3.30E+3n/an/an/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))
BDBM50094492
PNG
(CHEMBL3589024)
Show SMILES OC(=O)CCn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C13H9N5O3/c19-9(20)5-6-18-8-4-2-1-3-7(8)10-13(18)15-12-11(14-10)16-21-17-12/h1-4H,5-6H2,(H,19,20)
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3.30E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of N-terminally His6-tagged human beta-catenin (residues 138-686)/C-terminally biotinylated human Tcf4 (residues 7-51) interaction after 4...


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))
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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3.30E+3n/an/an/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 [138-686]


(Homo sapiens (Human))
BDBM213766
PNG
(US9284299, 17)
Show SMILES On1ncc2cc(NCc3nn[nH]n3)ccc12
Show InChI InChI=1S/C9H9N7O/c17-16-8-2-1-7(3-6(8)4-11-16)10-5-9-12-14-15-13-9/h1-4,10,17H,5H2,(H,12,13,14,15)
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3.38E+3 -7.46n/an/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in 96-well Microfluor 2 black plates (Waltham, Mass.), and the samples were read by a Synergy 2 plate reader (Biotek, Wino...


US Patent US9284299 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GGC
More data for this
Ligand-Target Pair
Catenin beta-1 [138-686]


(Homo sapiens (Human))
BDBM335730
PNG
(US9738628, Compound 17)
Show SMILES On1nnc2cc(NCc3nn[nH]n3)ccc12
Show InChI InChI=1S/C8H8N8O/c17-16-7-2-1-5(3-6(7)10-15-16)9-4-8-11-13-14-12-8/h1-3,9,17H,4H2,(H,11,12,13,14)
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3.38E+3n/an/an/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in white opaque 384-well plates from PerkinElmer (Waltham, Mass.), and the samples were read on a Synergy 2 plate reader (...


US Patent US9738628 (2017)


BindingDB Entry DOI: 10.7270/Q27P91H7
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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3.40E+3n/an/an/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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3.60E+3n/an/an/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 [138-686]


(Homo sapiens (Human))
BDBM32102
PNG
(1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...)
Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
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3.65E+3 -7.41n/an/an/an/an/a7.425



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in white opaque 384-well plates from PerkinElmer (Waltham, Mass.), and the samples were read on a Synergy 2 plate reader (...


US Patent US9284299 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GGC
More data for this
Ligand-Target Pair
Catenin beta-1 [138-686]/Transcription factor 4 [7-51]


(Homo sapiens (Human))
BDBM32102
PNG
(1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...)
Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
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3.65E+3 -7.41n/an/an/an/an/a7.425



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in white opaque 384-well plates from PerkinElmer (Waltham, Mass.), and the samples were read on a Synergy 2 plate reader (...


US Patent US9284299 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GGC
More data for this
Ligand-Target Pair
Catenin beta-1 [138-686]


(Homo sapiens (Human))
BDBM32102
PNG
(1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...)
Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
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3.65E+3n/an/an/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in 96-well Microfluor 2 black plates (Waltham, Mass.), and the samples were read by a Synergy 2 plate reader (Biotek, Wino...


US Patent US9738628 (2017)


BindingDB Entry DOI: 10.7270/Q27P91H7
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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3.70E+3n/an/an/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))
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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3.80E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of N-terminally His6-tagged human beta-catenin (residues 138-686)/C-terminally biotinylated human Tcf4 (residues 7-51) interaction after 4...


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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3.80E+3n/an/an/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))
BDBM32102
PNG
(1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...)
Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
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3.80E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of N-terminally His6-tagged human beta-catenin (residues 138-686)/C-terminally biotinylated human Tcf4 (residues 7-51) interaction after 4...


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 [138-686]


(Homo sapiens (Human))
BDBM213761
PNG
(US9284299, 12 | US9738628, Compound 12)
Show SMILES On1nnc2cc(CCc3nn[nH]n3)ccc12
Show InChI InChI=1S/C9H9N7O/c17-16-8-3-1-6(5-7(8)10-15-16)2-4-9-11-13-14-12-9/h1,3,5,17H,2,4H2,(H,11,12,13,14)
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3.83E+3 -7.38n/an/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in 96-well Microfluor 2 black plates (Waltham, Mass.), and the samples were read by a Synergy 2 plate reader (Biotek, Wino...


US Patent US9284299 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GGC
More data for this
Ligand-Target Pair
Catenin beta-1 [138-686]/Transcription factor 4 [7-51]


(Homo sapiens (Human))
BDBM213761
PNG
(US9284299, 12 | US9738628, Compound 12)
Show SMILES On1nnc2cc(CCc3nn[nH]n3)ccc12
Show InChI InChI=1S/C9H9N7O/c17-16-8-3-1-6(5-7(8)10-15-16)2-4-9-11-13-14-12-9/h1,3,5,17H,2,4H2,(H,11,12,13,14)
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3.83E+3 -7.38n/an/an/an/an/a7.425



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in white opaque 384-well plates from PerkinElmer (Waltham, Mass.), and the samples were read on a Synergy 2 plate reader (...


US Patent US9284299 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GGC
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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3.90E+3n/an/an/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))
BDBM50094494
PNG
(CHEMBL3589022)
Show SMILES OC(=O)Cn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C12H7N5O3/c18-8(19)5-17-7-4-2-1-3-6(7)9-12(17)14-11-10(13-9)15-20-16-11/h1-4H,5H2,(H,18,19)
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4.10E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of N-terminally His6-tagged human beta-catenin (residues 138-686)/C-terminally biotinylated human Tcf4 (residues 7-51) interaction after 4...


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))
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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4.30E+3n/an/an/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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