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PubMed code 27190602

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501088
PNG
(CHEMBL3819630)
Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(NC(=O)c2ccc(O[C@H]3CCNC3)c(c2)-c2ccc(F)c(F)c2)ccc1OC1CCNC1
Show InChI InChI=1S/C33H30F3N3O3.2ClH/c34-23-5-1-20(2-6-23)28-17-24(7-10-32(28)42-26-12-14-38-19-26)39-33(40)22-4-9-31(41-25-11-13-37-18-25)27(15-22)21-3-8-29(35)30(36)16-21;;/h1-10,15-17,25-26,37-38H,11-14,18-19H2,(H,39,40);2*1H/t25-,26?;;/m0../s1
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2.10E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501080
PNG
(CHEMBL3819506)
Show SMILES Cl.Cl.Fc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCCCC1)N1CCNCC1
Show InChI InChI=1S/C32H42FN5O3.2ClH/c33-26-18-25(19-27(21-26)36-12-10-34-11-13-36)32(40)38-16-14-37(15-17-38)31(39)24-6-7-30(41-28-8-9-35-22-28)29(20-24)23-4-2-1-3-5-23;;/h6-7,18-21,23,28,34-35H,1-5,8-17,22H2;2*1H/t28-;;/m0../s1
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5.20E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50371232
PNG
(CARNOSIC ACID)
Show SMILES CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C(O)=O)c2c(O)c1O
Show InChI InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/t14-,20+/m0/s1
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CHEBI
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PubMed
5.30E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501081
PNG
(CHEMBL3819020)
Show SMILES Cl.Cl.Fc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCC(CC1)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C33H41F4N5O3.2ClH/c34-26-17-24(18-27(20-26)40-11-9-38-10-12-40)32(44)42-15-13-41(14-16-42)31(43)23-3-6-30(45-28-7-8-39-21-28)29(19-23)22-1-4-25(5-2-22)33(35,36)37;;/h3,6,17-20,22,25,28,38-39H,1-2,4-5,7-16,21H2;2*1H/t22?,25?,28-;;/m0../s1
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1.60E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501086
PNG
(CHEMBL3818707)
Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(ccc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(c1)N1CCNCC1
Show InChI InChI=1S/C32H35F2N5O3.2ClH/c33-25-4-1-22(2-5-25)29-19-23(3-6-30(29)42-28-7-8-36-21-28)31(40)38-13-15-39(16-14-38)32(41)24-17-26(34)20-27(18-24)37-11-9-35-10-12-37;;/h1-6,17-20,28,35-36H,7-16,21H2;2*1H/t28-;;/m0../s1
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1.90E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501079
PNG
(CHEMBL3819288)
Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(ccc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(c1)C1CCNCC1
Show InChI InChI=1S/C33H36F2N4O3.2ClH/c34-27-4-1-23(2-5-27)30-20-24(3-6-31(30)42-29-9-12-37-21-29)32(40)38-13-15-39(16-14-38)33(41)26-17-25(18-28(35)19-26)22-7-10-36-11-8-22;;/h1-6,17-20,22,29,36-37H,7-16,21H2;2*1H/t29-;;/m0../s1
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2.00E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501083
PNG
(CHEMBL3819165)
Show SMILES Cl.Cl.Cc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCCCC1)N1CCNCC1
Show InChI InChI=1S/C33H45N5O3.2ClH/c1-24-19-27(21-28(20-24)36-13-11-34-12-14-36)33(40)38-17-15-37(16-18-38)32(39)26-7-8-31(41-29-9-10-35-23-29)30(22-26)25-5-3-2-4-6-25;;/h7-8,19-22,25,29,34-35H,2-6,9-18,23H2,1H3;2*1H/t29-;;/m0../s1
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2.50E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501078
PNG
(CHEMBL3818097)
Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(ccc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(O[C@@H]2CCNC2)c1
Show InChI InChI=1S/C32H34F2N4O4.2ClH/c33-24-4-1-21(2-5-24)29-17-22(3-6-30(29)42-27-8-10-36-20-27)31(39)37-11-13-38(14-12-37)32(40)23-15-25(34)18-28(16-23)41-26-7-9-35-19-26;;/h1-6,15-18,26-27,35-36H,7-14,19-20H2;2*1H/t26-,27+;;/m1../s1
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3.50E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501092
PNG
(CHEMBL3819088)
Show SMILES Cl.Cl.CC1CCC(CC1)c1cc(ccc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(c1)N1CCNCC1
Show InChI InChI=1S/C33H44FN5O3.2ClH/c1-23-2-4-24(5-3-23)30-20-25(6-7-31(30)42-29-8-9-36-22-29)32(40)38-14-16-39(17-15-38)33(41)26-18-27(34)21-28(19-26)37-12-10-35-11-13-37;;/h6-7,18-21,23-24,29,35-36H,2-5,8-17,22H2,1H3;2*1H/t23?,24?,29-;;/m0../s1
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3.70E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501093
PNG
(CHEMBL3818263)
Show SMILES Cl.Cl.Fc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCC(F)(F)CC1)N1CCNCC1
Show InChI InChI=1S/C32H40F3N5O3.2ClH/c33-25-17-24(18-26(20-25)38-11-9-36-10-12-38)31(42)40-15-13-39(14-16-40)30(41)23-1-2-29(43-27-5-8-37-21-27)28(19-23)22-3-6-32(34,35)7-4-22;;/h1-2,17-20,22,27,36-37H,3-16,21H2;2*1H/t27-;;/m0../s1
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4.50E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501090
PNG
(CHEMBL3819332)
Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(ccc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(O[C@H]2CCNC2)c1
Show InChI InChI=1S/C32H34F2N4O4.2ClH/c33-24-4-1-21(2-5-24)29-17-22(3-6-30(29)42-27-8-10-36-20-27)31(39)37-11-13-38(14-12-37)32(40)23-15-25(34)18-28(16-23)41-26-7-9-35-19-26;;/h1-6,15-18,26-27,35-36H,7-14,19-20H2;2*1H/t26-,27-;;/m0../s1
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4.80E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501082
PNG
(CHEMBL3818667)
Show SMILES Cl.Cl.Fc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCCC1)N1CCNCC1
Show InChI InChI=1S/C31H40FN5O3.2ClH/c32-25-17-24(18-26(20-25)35-11-9-33-10-12-35)31(39)37-15-13-36(14-16-37)30(38)23-5-6-29(40-27-7-8-34-21-27)28(19-23)22-3-1-2-4-22;;/h5-6,17-20,22,27,33-34H,1-4,7-16,21H2;2*1H/t27-;;/m0../s1
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5.30E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501085
PNG
(CHEMBL3818058)
Show SMILES Cl.Cl.Brc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCCCC1)N1CCNCC1
Show InChI InChI=1S/C32H42BrN5O3.2ClH/c33-26-18-25(19-27(21-26)36-12-10-34-11-13-36)32(40)38-16-14-37(15-17-38)31(39)24-6-7-30(41-28-8-9-35-22-28)29(20-24)23-4-2-1-3-5-23;;/h6-7,18-21,23,28,34-35H,1-5,8-17,22H2;2*1H/t28-;;/m0../s1
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5.50E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501091
PNG
(CHEMBL3819368)
Show SMILES Cl.Cl.Fc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)-c1ccc(F)c(F)c1)N1CCNCC1
Show InChI InChI=1S/C32H34F3N5O3.2ClH/c33-24-15-23(16-25(19-24)38-9-7-36-8-10-38)32(42)40-13-11-39(12-14-40)31(41)22-2-4-30(43-26-5-6-37-20-26)27(17-22)21-1-3-28(34)29(35)18-21;;/h1-4,15-19,26,36-37H,5-14,20H2;2*1H/t26-;;/m0../s1
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5.70E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501077
PNG
(CHEMBL3818956)
Show SMILES Cl.Cl.NCCc1cc(F)cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H32F2N4O3.2ClH/c31-24-4-1-21(2-5-24)27-18-22(3-6-28(27)39-26-8-10-34-19-26)29(37)35-11-13-36(14-12-35)30(38)23-15-20(7-9-33)16-25(32)17-23;;/h1-6,15-18,26,34H,7-14,19,33H2;2*1H/t26-;;/m0../s1
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6.70E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501084
PNG
(CHEMBL3818280)
Show SMILES Cl.Cl.FC(F)(F)c1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCCCC1)N1CCNCC1
Show InChI InChI=1S/C33H42F3N5O3.2ClH/c34-33(35,36)26-18-25(19-27(21-26)39-12-10-37-11-13-39)32(43)41-16-14-40(15-17-41)31(42)24-6-7-30(44-28-8-9-38-22-28)29(20-24)23-4-2-1-3-5-23;;/h6-7,18-21,23,28,37-38H,1-5,8-17,22H2;2*1H/t28-;;/m0../s1
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6.90E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501097
PNG
(CHEMBL3818207)
Show SMILES Cl.Cl.CC1(C)CCC(CC1)c1cc(ccc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(c1)N1CCNCC1
Show InChI InChI=1S/C34H46FN5O3.2ClH/c1-34(2)8-5-24(6-9-34)30-21-25(3-4-31(30)43-29-7-10-37-23-29)32(41)39-15-17-40(18-16-39)33(42)26-19-27(35)22-28(20-26)38-13-11-36-12-14-38;;/h3-4,19-22,24,29,36-37H,5-18,23H2,1-2H3;2*1H/t29-;;/m0../s1
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7.00E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501094
PNG
(CHEMBL3817935)
Show SMILES Cl.Cl.Clc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCCCC1)N1CCNCC1
Show InChI InChI=1S/C32H42ClN5O3.2ClH/c33-26-18-25(19-27(21-26)36-12-10-34-11-13-36)32(40)38-16-14-37(15-17-38)31(39)24-6-7-30(41-28-8-9-35-22-28)29(20-24)23-4-2-1-3-5-23;;/h6-7,18-21,23,28,34-35H,1-5,8-17,22H2;2*1H/t28-;;/m0../s1
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7.60E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501089
PNG
(CHEMBL3818949)
Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(cnc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(c1)N1CCNCC1
Show InChI InChI=1S/C31H34F2N6O3.2ClH/c32-24-3-1-21(2-4-24)28-17-23(19-36-29(28)42-27-5-6-35-20-27)31(41)39-13-11-38(12-14-39)30(40)22-15-25(33)18-26(16-22)37-9-7-34-8-10-37;;/h1-4,15-19,27,34-35H,5-14,20H2;2*1H/t27-;;/m0../s1
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8.20E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501087
PNG
(CHEMBL3818840)
Show SMILES Cl.NCCOc1ccc(cc1-c1ccc(F)cc1)C(N)=O
Show InChI InChI=1S/C15H15FN2O2/c16-12-4-1-10(2-5-12)13-9-11(15(18)19)3-6-14(13)20-8-7-17/h1-6,9H,7-8,17H2,(H2,18,19)
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1.30E+5n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
beta-catenin-B-cell lymphoma 9 protein complex


(Homo sapiens (Human))
BDBM50501076
PNG
(CHEMBL3819443)
Show SMILES Cl.Cl.CCC1CCC(CC1)c1cc(ccc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(c1)N1CCNCC1
Show InChI InChI=1S/C34H46FN5O3.2ClH/c1-2-24-3-5-25(6-4-24)31-21-26(7-8-32(31)43-30-9-10-37-23-30)33(41)39-15-17-40(18-16-39)34(42)27-19-28(35)22-29(20-27)38-13-11-36-12-14-38;;/h7-8,19-22,24-25,30,36-37H,2-6,9-18,23H2,1H3;2*1H/t24?,25?,30-;;/m0../s1
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1.70E+5n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501096
PNG
(CHEMBL3818029)
Show SMILES Cl.Cl.Cc1cc(ccc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(c1)N1CCNCC1
Show InChI InChI=1S/C27H34FN5O3.2ClH/c1-19-14-20(2-3-25(19)36-24-4-5-30-18-24)26(34)32-10-12-33(13-11-32)27(35)21-15-22(28)17-23(16-21)31-8-6-29-7-9-31;;/h2-3,14-17,24,29-30H,4-13,18H2,1H3;2*1H/t24-;;/m0../s1
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4.90E+5n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501095
PNG
(CHEMBL3818748)
Show SMILES Cl.Cl.NCCc1cc(F)cc(c1)C(=O)N1CCN(CC1)C(=O)c1cnc(O[C@H]2CCNC2)c(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H31F2N5O3.2ClH/c30-23-3-1-20(2-4-23)26-16-22(17-34-27(26)39-25-6-8-33-18-25)29(38)36-11-9-35(10-12-36)28(37)21-13-19(5-7-32)14-24(31)15-21;;/h1-4,13-17,25,33H,5-12,18,32H2;2*1H/t25-;;/m0../s1
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>5.00E+5n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501080
PNG
(CHEMBL3819506)
Show SMILES Cl.Cl.Fc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCCCC1)N1CCNCC1
Show InChI InChI=1S/C32H42FN5O3.2ClH/c33-26-18-25(19-27(21-26)36-12-10-34-11-13-36)32(40)38-16-14-37(15-17-38)31(39)24-6-7-30(41-28-8-9-35-22-28)29(20-24)23-4-2-1-3-5-23;;/h6-7,18-21,23,28,34-35H,1-5,8-17,22H2;2*1H/t28-;;/m0../s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%