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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Catenin beta-1' and Ligand = 'BDBM50094486'   
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))
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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Article
PubMed
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))
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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Article
PubMed
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))
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


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))
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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Article
PubMed
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))
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)
PDB
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CHEMBL
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Article
PubMed
1.80E+5n/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))
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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Article
PubMed
n/an/a 7.60E+4n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human wild-type beta-catenin (residues 138-686)/C-terminally fluorescein labeled human wild-type Tcf4 (residues 7-51) interaction after...


J Med Chem 58: 4678-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00223
BindingDB Entry DOI: 10.7270/Q2G44S28
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
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)
PDB
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 7.70E+5n/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 E-cadherin (residues 819-873) interaction by FP ...


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)
PDB
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CHEMBL
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UniChem

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Article
PubMed
n/an/a 8.50E+5n/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 APC-R3 (residues 1477-1519) interaction by FP co...


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