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SMILES: Cc1ccc(\C=N\NC(=O)c2ccccc2Oc2ccccc2)o1

InChI Key: InChIKey=JJEDWBQZCRESJL-DEDYPNTBSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50436058   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Catenin beta-1 (Homo sapiens (Human))	BDBM50436058 (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+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a	n/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 [138-686] (Homo sapiens (Human))	BDBM50436058 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Research Foundation US Patent					Assay Description Experiments were performed in 96-well Microfluor 2 black plates (Waltham, Mass.), and the samples were read by a Synergy 2 plate reader (Biotek, Wino...				US Patent US9738628 (2017) BindingDB Entry DOI: 10.7270/Q27P91H7
					More data for this Ligand-Target Pair
Transcription factor 4 (Homo sapiens)	BDBM50436058 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem		n/a	n/a	n/a	450	n/a	n/a	n/a	n/a	n/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
Transcription factor 4 (Homo sapiens)	BDBM50436058 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of His6 tagged Tcf4 1-53/beta catenin (unknown origin) interaction by VP-ITC titration calorimeter method				Bioorg Med Chem Lett 26: 1664-70 (2016) Article DOI: 10.1016/j.bmcl.2016.02.064 BindingDB Entry DOI: 10.7270/Q25H7K8M
					More data for this Ligand-Target Pair
Catenin beta-1 (Homo sapiens (Human))	BDBM50436058 (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+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00228 BindingDB Entry DOI: 10.7270/Q2GQ72Q3
					More data for this Ligand-Target Pair
Catenin beta-1 (Homo sapiens (Human))	BDBM50436058 (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+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116920 BindingDB Entry DOI: 10.7270/Q2T157M8
					More data for this Ligand-Target Pair
Catenin beta-1 [138-686] (Homo sapiens (Human))	BDBM50436058 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	1.81E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Research Foundation US Patent					Assay Description Experiments were performed in white opaque 384-well plates from PerkinElmer (Waltham, Mass.), and the samples were read on a Synergy 2 plate reader (...				US Patent US9738628 (2017) BindingDB Entry DOI: 10.7270/Q27P91H7
					More data for this Ligand-Target Pair