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Compile Data Set for Download or QSAR

Found 123 hits Enz. Inhib. hit(s) with Target = 'Catenin beta-1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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=1/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-/s2
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n/an/an/a 13n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to human beta-catenin expressed in Escherichia coli BL21 after 45 mins by fluorescence polarization assay


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
Show InChI InChI=1/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-/s2
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n/an/an/a 53n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to human beta-catenin expressed in Escherichia coli BL21 after 45 mins by fluorescence polarization assay


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))
BDBM50436056
PNG
(CHEMBL2397073)
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](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(O)=O
Show InChI InChI=1/C92H151N25O28S/c1-12-50(8)72-85(140)109-59(41-47(2)3)78(133)108-61(44-69(126)127)81(136)116-91(9,35-18-15-13-14-16-19-36-92(10,89(145)114-72)115-80(135)56(29-33-68(124)125)104-82(137)63-25-22-39-117(63)86(141)62(43-65(96)119)110-75(130)55(28-32-67(122)123)102-73(128)52(94)26-31-66(120)121)88(144)111-60(42-51-45-99-46-101-51)79(134)113-71(49(6)7)83(138)105-54(27-30-64(95)118)74(129)103-53(24-21-38-100-90(97)98)77(132)112-70(48(4)5)84(139)106-57(34-40-146-11)76(131)107-58(87(142)143)23-17-20-37-93/h13-14,45-50,52-63,70-72H,12,15-44,93-94H2,1-11H3,(H2,95,118)(H2,96,119)(H,99,101)(H,102,128)(H,103,129)(H,104,137)(H,105,138)(H,106,139)(H,107,131)(H,108,133)(H,109,140)(H,110,130)(H,111,144)(H,112,132)(H,113,134)(H,114,145)(H,115,135)(H,116,136)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,142,143)(H4,97,98,100)/b14-13-/t50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,70-,71-,72-,91-,92-/s2
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n/an/an/a 60n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to human beta-catenin expressed in Escherichia coli BL21 after 45 mins by fluorescence polarization assay


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))
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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n/an/an/a 450n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of Tcf4 binding to beta-catenin (unknown origin)


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))
BDBM50436057
PNG
(CHEMBL2397072)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1/C86H141N25O31S/c1-10-43(8)68(110-79(135)57(38-112)107-73(129)50(22-27-64(121)122)99-80(136)58-17-14-31-111(58)84(140)56(35-60(90)114)106-72(128)48(20-25-62(117)118)96-69(125)45(88)18-24-61(115)116)83(139)105-53(33-40(2)3)76(132)104-55(36-65(123)124)77(133)98-49(21-26-63(119)120)71(127)103-54(34-44-37-93-39-95-44)78(134)109-67(42(6)7)81(137)100-47(19-23-59(89)113)70(126)97-46(16-13-30-94-86(91)92)75(131)108-66(41(4)5)82(138)101-51(28-32-143-9)74(130)102-52(85(141)142)15-11-12-29-87/h37,39-43,45-58,66-68,112H,10-36,38,87-88H2,1-9H3,(H2,89,113)(H2,90,114)(H,93,95)(H,96,125)(H,97,126)(H,98,133)(H,99,136)(H,100,137)(H,101,138)(H,102,130)(H,103,127)(H,104,132)(H,105,139)(H,106,128)(H,107,129)(H,108,131)(H,109,134)(H,110,135)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,141,142)(H4,91,92,94)/t43-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,66-,67-,68-/s2
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n/an/an/a 5.00E+3n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to human beta-catenin expressed in Escherichia coli BL21 after 45 mins by fluorescence polarization assay


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))
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))
BDBM50094590
PNG
(CHEMBL3589012)
Show SMILES Nc1nonc1C(=O)N\N=C1\c2ccccc2-c2nc3nonc3nc12
Show InChI InChI=1S/C14H7N9O3/c15-11-10(20-25-21-11)14(24)19-18-8-6-4-2-1-3-5(6)7-9(8)17-13-12(16-7)22-26-23-13/h1-4H,(H2,15,21)(H,19,24)/b18-8-
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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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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))
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))
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))
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


(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


(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))
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))
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))
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


(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))
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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5.80E+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))
BDBM50094590
PNG
(CHEMBL3589012)
Show SMILES Nc1nonc1C(=O)N\N=C1\c2ccccc2-c2nc3nonc3nc12
Show InChI InChI=1S/C14H7N9O3/c15-11-10(20-25-21-11)14(24)19-18-8-6-4-2-1-3-5(6)7-9(8)17-13-12(16-7)22-26-23-13/h1-4H,(H2,15,21)(H,19,24)/b18-8-
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5.80E+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))
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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5.80E+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))
BDBM50094484
PNG
(CHEBI:3556 | CHEMBL2323033 | US9284299, CGP049090 ...)
Show SMILES COc1c(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(=O)c4c(O)cc5OCOc6cc(O)c(c2c6c5c34)c1=O
Show InChI InChI=1/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/t10-,11-/s2
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5.90E+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))
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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7.20E+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))
BDBM50094596
PNG
(CHEMBL3589011)
Show SMILES OC(=O)c1cc2nc(-c3ccc4OCOc4c3)c(nc2cc1O)-c1ccc2OCOc2c1
Show InChI InChI=1S/C23H14N2O7/c26-16-8-15-14(7-13(16)23(27)28)24-21(11-1-3-17-19(5-11)31-9-29-17)22(25-15)12-2-4-18-20(6-12)32-10-30-18/h1-8,26H,9-10H2,(H,27,28)
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8.70E+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))
BDBM50094600
PNG
(CHEMBL2323029)
Show SMILES OC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(nc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H12Cl2N2O2/c22-15-6-1-12(2-7-15)19-20(13-3-8-16(23)9-4-13)25-18-11-14(21(26)27)5-10-17(18)24-19/h1-11H,(H,26,27)
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8.80E+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))
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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1.10E+4n/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))
BDBM50094596
PNG
(CHEMBL3589011)
Show SMILES OC(=O)c1cc2nc(-c3ccc4OCOc4c3)c(nc2cc1O)-c1ccc2OCOc2c1
Show InChI InChI=1S/C23H14N2O7/c26-16-8-15-14(7-13(16)23(27)28)24-21(11-1-3-17-19(5-11)31-9-29-17)22(25-15)12-2-4-18-20(6-12)32-10-30-18/h1-8,26H,9-10H2,(H,27,28)
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1.20E+4n/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))
BDBM50094600
PNG
(CHEMBL2323029)
Show SMILES OC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(nc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H12Cl2N2O2/c22-15-6-1-12(2-7-15)19-20(13-3-8-16(23)9-4-13)25-18-11-14(21(26)27)5-10-17(18)24-19/h1-11H,(H,26,27)
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1.30E+4n/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))
BDBM50094607
PNG
(CHEMBL3589162)
Show SMILES OC(=O)c1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)ccc1O
Show InChI InChI=1S/C21H16N4O5S/c26-18-11-10-13(12-15(18)21(27)28)22-19-20(24-17-9-5-4-8-16(17)23-19)25-31(29,30)14-6-2-1-3-7-14/h1-12,26H,(H,22,23)(H,24,25)(H,27,28)
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1.30E+4n/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))
BDBM50094486
PNG
(CHEMBL3589160)
Show SMILES C(Cn1c2ccccc2c2nc3nonc3nc12)c1nn[nH]n1
Show InChI InChI=1S/C13H9N9O/c1-2-4-8-7(3-1)10-13(15-12-11(14-10)18-23-19-12)22(8)6-5-9-16-20-21-17-9/h1-4H,5-6H2,(H,16,17,20,21)
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1.70E+4n/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))
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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1.70E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human beta-catenin V511S mutant/human wild-type Tcf4 interaction after 1.5 hrs by FP competitive inhibition assay


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))
BDBM50249236
PNG
((R)-1-(4,9-dihydroxy-12-((R)-2-((4-hydroxyphenoxy)...)
Show SMILES COc1cc(=O)c2c(O)c(OC)c(C[C@@H](C)OC(=O)Oc3ccc(O)cc3)c3c4c(C[C@@H](C)OC(=O)c5ccccc5)c(OC)c(O)c5c4c(c(OC)cc5=O)c1c23
Show InChI InChI=1/C44H38O14/c1-20(56-43(50)22-10-8-7-9-11-22)16-25-31-32-26(17-21(2)57-44(51)58-24-14-12-23(45)13-15-24)42(55-6)40(49)34-28(47)19-30(53-4)36(38(32)34)35-29(52-3)18-27(46)33(37(31)35)39(48)41(25)54-5/h7-15,18-21,45,48-49H,16-17H2,1-6H3/t20-,21-/s2
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1.80E+4n/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))
BDBM50094486
PNG
(CHEMBL3589160)
Show SMILES C(Cn1c2ccccc2c2nc3nonc3nc12)c1nn[nH]n1
Show InChI InChI=1S/C13H9N9O/c1-2-4-8-7(3-1)10-13(15-12-11(14-10)18-23-19-12)22(8)6-5-9-16-20-21-17-9/h1-4H,5-6H2,(H,16,17,20,21)
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1.80E+4n/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))
BDBM50094590
PNG
(CHEMBL3589012)
Show SMILES Nc1nonc1C(=O)N\N=C1\c2ccccc2-c2nc3nonc3nc12
Show InChI InChI=1S/C14H7N9O3/c15-11-10(20-25-21-11)14(24)19-18-8-6-4-2-1-3-5(6)7-9(8)17-13-12(16-7)22-26-23-13/h1-4H,(H2,15,21)(H,19,24)/b18-8-
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2.00E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human beta-catenin V511S mutant/human wild-type Tcf4 interaction after 1.5 hrs by FP competitive inhibition assay


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))
BDBM50094597
PNG
(CHEMBL2323028)
Show SMILES OC(=O)c1cc(on1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H10ClNO4/c17-11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)15-9-14(16(19)20)18-22-15/h1-9H,(H,19,20)
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2.10E+4n/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))
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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3.10E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human beta-catenin V511S mutant/human wild-type Tcf4 interaction after 1.5 hrs by FP competitive inhibition assay


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))
BDBM50094484
PNG
(CHEBI:3556 | CHEMBL2323033 | US9284299, CGP049090 ...)
Show SMILES COc1c(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(=O)c4c(O)cc5OCOc6cc(O)c(c2c6c5c34)c1=O
Show InChI InChI=1/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/t10-,11-/s2
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3.60E+4n/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))
BDBM50094590
PNG
(CHEMBL3589012)
Show SMILES Nc1nonc1C(=O)N\N=C1\c2ccccc2-c2nc3nonc3nc12
Show InChI InChI=1S/C14H7N9O3/c15-11-10(20-25-21-11)14(24)19-18-8-6-4-2-1-3-5(6)7-9(8)17-13-12(16-7)22-26-23-13/h1-4H,(H2,15,21)(H,19,24)/b18-8-
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3.60E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human beta-catenin R469A mutant/human wild-type Tcf4 interaction after 1.5 hrs by FP competitive inhibition assay


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))
BDBM50094488
PNG
(CHEMBL3589158)
Show SMILES N#CCCn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C13H8N6O/c14-6-3-7-19-9-5-2-1-4-8(9)10-13(19)16-12-11(15-10)17-20-18-12/h1-2,4-5H,3,7H2
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3.90E+4n/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))
BDBM50094488
PNG
(CHEMBL3589158)
Show SMILES N#CCCn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C13H8N6O/c14-6-3-7-19-9-5-2-1-4-8(9)10-13(19)16-12-11(15-10)17-20-18-12/h1-2,4-5H,3,7H2
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4.70E+4n/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))
BDBM50094485
PNG
(CHEMBL3589161)
Show SMILES C(Cc1nn[nH]n1)Cn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C14H11N9O/c1-2-5-9-8(4-1)11-14(16-13-12(15-11)19-24-20-13)23(9)7-3-6-10-17-21-22-18-10/h1-2,4-5H,3,6-7H2,(H,17,18,21,22)
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5.10E+4n/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))
BDBM50094491
PNG
(CHEMBL3589025)
Show SMILES CCOC(=O)CCCn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C16H15N5O3/c1-2-23-12(22)8-5-9-21-11-7-4-3-6-10(11)13-16(21)18-15-14(17-13)19-24-20-15/h3-4,6-7H,2,5,8-9H2,1H3
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5.20E+4n/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))
BDBM50094486
PNG
(CHEMBL3589160)
Show SMILES C(Cn1c2ccccc2c2nc3nonc3nc12)c1nn[nH]n1
Show InChI InChI=1S/C13H9N9O/c1-2-4-8-7(3-1)10-13(15-12-11(14-10)18-23-19-12)22(8)6-5-9-16-20-21-17-9/h1-4H,5-6H2,(H,16,17,20,21)
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5.30E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human beta-catenin V511S mutant/human wild-type Tcf4 interaction after 1.5 hrs by FP competitive inhibition assay


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))
BDBM50094602
PNG
(CHEMBL3589010 | US9284299, iCRT14 | US9738628, Com...)
Show SMILES Cc1cc(\C=C2/SC(=O)N(C2=O)c2ccccc2)c(C)n1-c1cccnc1
Show InChI InChI=1S/C21H17N3O2S/c1-14-11-16(15(2)23(14)18-9-6-10-22-13-18)12-19-20(25)24(21(26)27-19)17-7-4-3-5-8-17/h3-13H,1-2H3/b19-12-
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5.40E+4n/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))
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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5.90E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human beta-catenin R469A mutant/human wild-type Tcf4 interaction after 1.5 hrs by FP competitive inhibition assay


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))
BDBM50094508
PNG
(CHEMBL3589021)
Show SMILES CCOC(=O)Cn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C14H11N5O3/c1-2-21-10(20)7-19-9-6-4-3-5-8(9)11-14(19)16-13-12(15-11)17-22-18-13/h3-6H,2,7H2,1H3
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6.30E+4n/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))
BDBM50094485
PNG
(CHEMBL3589161)
Show SMILES C(Cc1nn[nH]n1)Cn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C14H11N9O/c1-2-5-9-8(4-1)11-14(16-13-12(15-11)19-24-20-13)23(9)7-3-6-10-17-21-22-18-10/h1-2,4-5H,3,6-7H2,(H,17,18,21,22)
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7.40E+4n/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))
BDBM50094597
PNG
(CHEMBL2323028)
Show SMILES OC(=O)c1cc(on1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H10ClNO4/c17-11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)15-9-14(16(19)20)18-22-15/h1-9H,(H,19,20)
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7.70E+4n/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))
BDBM50094605
PNG
(CHEMBL1956161)
Show SMILES COc1ccc(\C=C2\SC(=S)N(CCCC(O)=O)C2=O)cc1OC
Show InChI InChI=1S/C16H17NO5S2/c1-21-11-6-5-10(8-12(11)22-2)9-13-15(20)17(16(23)24-13)7-3-4-14(18)19/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19)/b13-9+
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KEGG

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UniChem

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Article
PubMed
8.00E+4n/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
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