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SMILES: COc1ccc(\C=C2/SC(=S)N(CCCC(O)=O)C2=O)cc1OC

InChI Key: InChIKey=IJWKSBPTJQMUHJ-LCYFTJDESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 213749   

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 [138-686] (Homo sapiens (Human))	BDBM213749 (US9284299, iCRT5 | US9738628, Compound iCRT5) 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-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	4.68E+4	-5.90	n/a	n/a	n/a	n/a	n/a	7.4	25
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 US9284299 (2016) BindingDB Entry DOI: 10.7270/Q2WW7GGC
					More data for this Ligand-Target Pair
Catenin beta-1 [138-686] (Homo sapiens (Human))	BDBM213749 (US9284299, iCRT5 | US9738628, Compound iCRT5) 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-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	4.68E+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
Catenin beta-1 [138-686] (Homo sapiens (Human))	BDBM213749 (US9284299, iCRT5 | US9738628, Compound iCRT5) 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-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	8.03E+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 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
Catenin beta-1 [138-686] (Homo sapiens (Human))	BDBM213749 (US9284299, iCRT5 | US9738628, Compound iCRT5) 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-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	8.03E+4	-5.58	n/a	n/a	n/a	n/a	n/a	n/a	25
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 US9284299 (2016) BindingDB Entry DOI: 10.7270/Q2WW7GGC
					More data for this Ligand-Target Pair