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Compile Data Set for Download or QSAR

Found 151 hits of ic50 for UniProtKB: O00512   
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
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577925
PNG
(CHEMBL4846565)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1cn[nH]c1)C1CC1)C(=O)N1CCNCC1 |r|
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n/an/a 870n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577925
PNG
(CHEMBL4846565)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1cn[nH]c1)C1CC1)C(=O)N1CCNCC1 |r|
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n/an/a 870n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00068
BindingDB Entry DOI: 10.7270/Q21J9FVF
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50605973
PNG
(CHEMBL5190873)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1c[nH]c2ncccc12)C1CC1)C(=O)N1CCNCC1 |r|
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n/an/a 960n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00068
BindingDB Entry DOI: 10.7270/Q21J9FVF
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50409818
PNG
(CHEMBL5280053)
Show SMILES CCCCCCCCOCCCc1cnc[nH]1
Show InChI InChI=1S/C14H26N2O/c1-2-3-4-5-6-7-10-17-11-8-9-14-12-15-13-16-14/h12-13H,2-11H2,1H3,(H,15,16)
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Neisseria gonorrhoeae Dihydrofolate reductase(DHFR)


Citation and Details
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50550537
PNG
(CHEMBL4583576)
Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(NC(=O)c2ccc(O[C@H]3CCNC3)c(c2)-c2ccc3ccsc3c2)ccc1O[C@H]1CCNC1 |r|
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of protein interaction between beta-catenin (unknown origin)/BCL9 in human SW480 cells transfected with beta-catenin assessed as reduction...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00068
BindingDB Entry DOI: 10.7270/Q23200HZ
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577925
PNG
(CHEMBL4846565)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1cn[nH]c1)C1CC1)C(=O)N1CCNCC1 |r|
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-interact...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50605972
PNG
(CHEMBL5208427)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1c[nH]c2ccccc12)C1CC1)C(=O)N1CCNCC1 |r|
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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00068
BindingDB Entry DOI: 10.7270/Q21J9FVF
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50409818
PNG
(CHEMBL5280053)
Show SMILES CCCCCCCCOCCCc1cnc[nH]1
Show InChI InChI=1S/C14H26N2O/c1-2-3-4-5-6-7-10-17-11-8-9-14-12-15-13-16-14/h12-13H,2-11H2,1H3,(H,15,16)
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n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


Citation and Details
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50550542
PNG
(CHEMBL4744819)
Show SMILES Cl.Cl.Cc1cc(F)ccc1-c1cc(NC(=O)c2ccc(O[C@H]3CCNC3)c(c2)-c2ccc(F)c(F)c2)ccc1O[C@H]1CCNC1 |r|
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of protein interaction between beta-catenin (unknown origin)/BCL9 in human SW480 cells transfected with beta-catenin assessed as reduction...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00068
BindingDB Entry DOI: 10.7270/Q23200HZ
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577932
PNG
(CHEMBL4853982)
Show SMILES Cl.CCOCCN(Cc1ccc(cc1)-c1cn[nH]c1)C(=O)[C@@H]1CCCN(C1)c1cccc(OC(C)(C)C(=O)N2CCNCC2)c1 |r|
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50605975
PNG
(CHEMBL5187855)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1ccnc2[nH]ccc12)C1CC1)C(=O)N1CCNCC1 |r|
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n/an/a 2.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00068
BindingDB Entry DOI: 10.7270/Q21J9FVF
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577931
PNG
(CHEMBL4863751)
Show SMILES Cl.CCN(Cc1ccc(cc1)-c1cn[nH]c1)C(=O)[C@@H]1CCCN(C1)c1cccc(OC(C)(C)C(=O)N2CCNCC2)c1 |r|
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00068
BindingDB Entry DOI: 10.7270/Q21J9FVF
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577931
PNG
(CHEMBL4863751)
Show SMILES Cl.CCN(Cc1ccc(cc1)-c1cn[nH]c1)C(=O)[C@@H]1CCCN(C1)c1cccc(OC(C)(C)C(=O)N2CCNCC2)c1 |r|
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50605974
PNG
(CHEMBL5176904)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1cccc2[nH]ncc12)C1CC1)C(=O)N1CCNCC1 |r|
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n/an/a 2.50E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00068
BindingDB Entry DOI: 10.7270/Q21J9FVF
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50409814
PNG
(CHEMBL5266133)
Show SMILES COc1cccc(OC)c1OCCNCC1CO[C@@](C)(O1)c1ccccc1 |r|
Show InChI InChI=1S/C21H27NO5/c1-21(16-8-5-4-6-9-16)26-15-17(27-21)14-22-12-13-25-20-18(23-2)10-7-11-19(20)24-3/h4-11,17,22H,12-15H2,1-3H3/t17?,21-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver


Citation and Details
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50571672
PNG
(CHEMBL4865480)
Show SMILES COc1cccc(c1)S(=O)(=O)NC(=O)C(C)(C)Oc1cccc(c1)N1CCC[C@@H](C1)C(=O)N(Cc1ccc(cc1)-c1cccs1)C1CC1 |r|
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n/an/a 2.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-termin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00046
BindingDB Entry DOI: 10.7270/Q28G8QHC
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50550535
PNG
(CHEMBL4074243)
Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(NC(=O)c2ccc(O[C@H]3CCNC3)c(c2)-c2ccc(F)c(F)c2)ccc1O[C@H]1CCNC1 |r|
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n/an/a 2.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of protein interaction between beta-catenin (unknown origin)/BCL9 in human SW480 cells transfected with beta-catenin assessed as reduction...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00068
BindingDB Entry DOI: 10.7270/Q23200HZ
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577917
PNG
(CHEMBL4874860)
Show SMILES Cl.CC(C)c1ccc(CN(C2CC2)C(=O)[C@@H]2CCCN(C2)c2cccc(OC(C)(C)C(=O)N3CCNCC3)c2)cc1 |r|
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50409818
PNG
(CHEMBL5280053)
Show SMILES CCCCCCCCOCCCc1cnc[nH]1
Show InChI InChI=1S/C14H26N2O/c1-2-3-4-5-6-7-10-17-11-8-9-14-12-15-13-16-14/h12-13H,2-11H2,1H3,(H,15,16)
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n/an/a 3.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Neisseria gonorrhoeae Dihydrofolate reductase(DHFR)


Citation and Details
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50605976
PNG
(CHEMBL5173336)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1cnc2[nH]ccc2c1)C1CC1)C(=O)N1CCNCC1 |r|
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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00068
BindingDB Entry DOI: 10.7270/Q21J9FVF
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50409729
PNG
(CHEMBL5289021)
Show SMILES C(CN1CCCCC1)Oc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C19H30N2O/c1-3-11-20(12-4-1)15-16-22-19-9-7-18(8-10-19)17-21-13-5-2-6-14-21/h7-10H,1-6,11-17H2
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n/an/a 3.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea


Citation and Details
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50409775
PNG
(CHEMBL5266161)
Show SMILES C(CCc1cnc[nH]1)CNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C27H33N5/c1-3-9-22(10-4-1)26(23-11-5-2-6-12-23)14-15-27-30-20-25(32-27)16-18-28-17-8-7-13-24-19-29-21-31-24/h1-6,9-12,19-21,26,28H,7-8,13-18H2,(H,29,31)(H,30,32)
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n/an/a 3.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50409770
PNG
(CHEMBL5267187)
Show SMILES C(Cc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1)NCCc1ccccn1
Show InChI InChI=1S/C27H30N4/c1-3-9-22(10-4-1)26(23-11-5-2-6-12-23)14-15-27-30-21-25(31-27)17-20-28-19-16-24-13-7-8-18-29-24/h1-13,18,21,26,28H,14-17,19-20H2,(H,30,31)
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n/an/a 4.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50409771
PNG
(CHEMBL5272391)
Show SMILES C(Cc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1)NCCc1ccncc1
Show InChI InChI=1S/C27H30N4/c1-3-7-23(8-4-1)26(24-9-5-2-6-10-24)11-12-27-30-21-25(31-27)16-20-29-19-15-22-13-17-28-18-14-22/h1-10,13-14,17-18,21,26,29H,11-12,15-16,19-20H2,(H,30,31)
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n/an/a 4.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver


Citation and Details
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50571674
PNG
(CHEMBL4867597)
Show SMILES CC(C)(Oc1cccc(c1)N1CCC[C@@H](C1)C(=O)N(Cc1ccc(cc1)-c1cccs1)C1CC1)C(=O)NS(=O)(=O)c1ccc(cc1)C#N |r|
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n/an/a 4.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-termin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00046
BindingDB Entry DOI: 10.7270/Q28G8QHC
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577920
PNG
(CHEMBL4857780)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1ccccc1)C1CC1)C(=O)N1CCNCC1 |r|
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n/an/a 4.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50550535
PNG
(CHEMBL4074243)
Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(NC(=O)c2ccc(O[C@H]3CCNC3)c(c2)-c2ccc(F)c(F)c2)ccc1O[C@H]1CCNC1 |r|
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n/an/a 4.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of protein interaction between beta-catenin (unknown origin)/BCL9 in HEK293 cells transfected with beta-catenin assessed as reduction in W...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00068
BindingDB Entry DOI: 10.7270/Q23200HZ
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50409689
PNG
(CHEMBL5284192)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1
Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3/t23-,24-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver


Citation and Details
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50409690
PNG
(CHEMBL5291332)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1
Show InChI InChI=1S/C26H29NO4/c1-28-24-13-8-14-25(29-2)26(24)30-16-15-27-18-20-17-22(19-9-4-3-5-10-19)21-11-6-7-12-23(21)31-20/h3-14,20,22,27H,15-18H2,1-2H3/t20-,22+/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


Citation and Details
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50571673
PNG
(CHEMBL4871518)
Show SMILES CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1cccs1)C1CC1)C(=O)NS(=O)(=O)c1ccc(cc1)C#N |r|
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n/an/a 4.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-termin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00046
BindingDB Entry DOI: 10.7270/Q28G8QHC
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50571670
PNG
(CHEMBL4863831)
Show SMILES CC(C)(Oc1cccc(c1)N1CCCC(C1)C(=O)N(Cc1ccc(cc1)-c1cccs1)C1CC1)C(=O)NS(=O)(=O)c1ccc(cc1)C#N
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n/an/a 4.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-termin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00046
BindingDB Entry DOI: 10.7270/Q28G8QHC
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577916
PNG
(CHEMBL4851887)
Show SMILES Cl.CC(C)N(Cc1ccc(cc1)C(C)C)C(=O)[C@@H]1CCCN(C1)c1cccc(OC(C)(C)C(=O)N2CCNCC2)c1 |r|
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n/an/a 5.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50571666
PNG
(CHEMBL4876302)
Show SMILES COc1cccc(c1)S(=O)(=O)NC(=O)C(C)(C)Oc1cccc(c1)N1CCCC(C1)C(=O)N(Cc1ccc(cc1)-c1cccs1)C1CC1
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TBA

Assay Description
Inhibition of full length C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-termin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00046
BindingDB Entry DOI: 10.7270/Q28G8QHC
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50550538
PNG
(CHEMBL4526556)
Show SMILES Cl.Cl.Cc1ccccc1-c1cc(NC(=O)c2ccc(O[C@H]3CCNC3)c(c2)-c2ccc(F)c(F)c2)ccc1O[C@H]1CCNC1 |r|
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n/an/a 5.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of protein interaction between beta-catenin (unknown origin)/BCL9 in human SW480 cells transfected with beta-catenin assessed as reduction...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00068
BindingDB Entry DOI: 10.7270/Q23200HZ
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50409772
PNG
(CHEMBL5273334)
Show SMILES C(CCc1ccccn1)CNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C29H34N4/c1-3-11-24(12-4-1)28(25-13-5-2-6-14-25)17-18-29-32-23-27(33-29)19-22-30-20-9-7-15-26-16-8-10-21-31-26/h1-6,8,10-14,16,21,23,28,30H,7,9,15,17-20,22H2,(H,32,33)
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n/an/a 5.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577919
PNG
(CHEMBL4869003)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)C1CCCCC1)C1CC1)C(=O)N1CCNCC1 |r|
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n/an/a 5.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577921
PNG
(CHEMBL4860362)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1ccsc1)C1CC1)C(=O)N1CCNCC1 |r|
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n/an/a 5.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
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 |r|
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
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50571671
PNG
(CHEMBL4873369)
Show SMILES COc1cccc(c1)S(=O)(=O)NC(=O)C(C)(C)Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1cccs1)C1CC1 |r|
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n/an/a 5.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-termin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00046
BindingDB Entry DOI: 10.7270/Q28G8QHC
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50550548
PNG
(CHEMBL4474227)
Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(NC(=O)c2cnc(O[C@H]3CCNC3)c(c2)-c2ccc(F)c(F)c2)ccc1O[C@H]1CCNC1 |r|
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n/an/a 5.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of protein interaction between beta-catenin (unknown origin)/BCL9 in human SW480 cells transfected with beta-catenin assessed as reduction...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00068
BindingDB Entry DOI: 10.7270/Q23200HZ
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50571667
PNG
(CHEMBL4859967)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)C(C)(C)Oc1cccc(c1)N1CCCC(C1)C(=O)N(Cc1ccc(cc1)-c1cccs1)C1CC1
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n/an/a 6.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-termin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00046
BindingDB Entry DOI: 10.7270/Q28G8QHC
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50550537
PNG
(CHEMBL4583576)
Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(NC(=O)c2ccc(O[C@H]3CCNC3)c(c2)-c2ccc3ccsc3c2)ccc1O[C@H]1CCNC1 |r|
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n/an/a 6.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of protein interaction between beta-catenin (unknown origin)/BCL9 in HEK293 cells transfected with beta-catenin assessed as reduction in W...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00068
BindingDB Entry DOI: 10.7270/Q23200HZ
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50409773
PNG
(CHEMBL5277893)
Show SMILES C(CCNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1)CCc1cccnc1
Show InChI InChI=1S/C30H36N4/c1-5-13-26(14-6-1)29(27-15-7-2-8-16-27)17-18-30-33-24-28(34-30)19-22-31-20-9-3-4-11-25-12-10-21-32-23-25/h1-2,5-8,10,12-16,21,23-24,29,31H,3-4,9,11,17-20,22H2,(H,33,34)
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n/an/a 6.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50571669
PNG
(CHEMBL4870345)
Show SMILES CC(C)(Oc1cccc(c1)N1CCCC(C1)C(=O)N(Cc1ccc(cc1)-c1cccs1)C1CC1)C(=O)NS(=O)(=O)c1cccc(c1)C#N
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n/an/a 6.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-termin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00046
BindingDB Entry DOI: 10.7270/Q28G8QHC
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577912
PNG
(CHEMBL4852661)
Show SMILES Cl.CC(C)c1ccc(CNC(=O)[C@@H]2CCCN(C2)c2cccc(OC(C)(C)C(=O)N3CCNCC3)c2)cc1 |r|
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n/an/a 6.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50409774
PNG
(CHEMBL5268580)
Show SMILES C(CNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1)Cc1cnc[nH]1
Show InChI InChI=1S/C26H31N5/c1-3-8-21(9-4-1)25(22-10-5-2-6-11-22)13-14-26-29-19-24(31-26)15-17-27-16-7-12-23-18-28-20-30-23/h1-6,8-11,18-20,25,27H,7,12-17H2,(H,28,30)(H,29,31)
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n/an/a 6.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea


Citation and Details
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50571668
PNG
(CHEMBL4855648)
Show SMILES CC(C)(Oc1cccc(c1)N1CCCC(C1)C(=O)N(Cc1ccc(cc1)-c1cccs1)C1CC1)C(=O)NS(=O)(=O)c1cccc(O)c1
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n/an/a 7.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-termin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00046
BindingDB Entry DOI: 10.7270/Q28G8QHC
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50605970
PNG
(CHEMBL5192048)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1cn[nH]c1)C1CCCC1)C(=O)N1CCNCC1 |r|
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n/an/a 7.60E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00068
BindingDB Entry DOI: 10.7270/Q21J9FVF
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50550549
PNG
(CHEMBL4578352)
Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(NC(=O)c2ccc(O[C@H]3CCNC3)c(c2)-c2ccc(F)c(F)c2)cnc1O[C@H]1CCNC1 |r|
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n/an/a 7.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of protein interaction between beta-catenin (unknown origin)/BCL9 in human SW480 cells transfected with beta-catenin assessed as reduction...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00068
BindingDB Entry DOI: 10.7270/Q23200HZ
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50571665
PNG
(CHEMBL4853758)
Show SMILES CC(C)(Oc1cccc(c1)N1CCCC(C1)C(=O)N(Cc1ccc(cc1)-c1cccs1)C1CC1)C(=O)NS(=O)(=O)c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-termin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00046
BindingDB Entry DOI: 10.7270/Q28G8QHC
More data for this
Ligand-Target Pair
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