Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 384.3 BDBM67869

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67869 ((6Z)-3-ethoxy-5-methyl-6-[4-(2-methyl-1,3-thiazol-...) Show SMILES CCOc1cc(C)c(-c2onc(c2-c2csc(C)n2)C(F)(F)F)c(O)c1 |(11.08,-6.67,;11.08,-5.13,;9.75,-4.36,;9.75,-2.82,;8.41,-2.05,;8.41,-.51,;6.87,-.51,;9.75,.26,;9.75,1.8,;10.99,2.71,;10.52,4.17,;8.98,4.17,;8.5,2.71,;7.04,2.23,;6.56,.77,;5.02,.77,;4.54,2.23,;3.08,2.71,;5.79,3.14,;8.07,5.42,;7.17,6.67,;9.32,6.33,;6.83,4.51,;11.08,-.51,;12.41,.26,;11.08,-2.05,)| Show InChI InChI=1S/C17H15F3N2O3S/c1-4-24-10-5-8(2)13(12(23)6-10)15-14(11-7-26-9(3)21-11)16(22-25-15)17(18,19)20/h5-7,23H,4H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67869 ((6Z)-3-ethoxy-5-methyl-6-[4-(2-methyl-1,3-thiazol-...) Show SMILES CCOc1cc(C)c(-c2onc(c2-c2csc(C)n2)C(F)(F)F)c(O)c1 |(11.08,-6.67,;11.08,-5.13,;9.75,-4.36,;9.75,-2.82,;8.41,-2.05,;8.41,-.51,;6.87,-.51,;9.75,.26,;9.75,1.8,;10.99,2.71,;10.52,4.17,;8.98,4.17,;8.5,2.71,;7.04,2.23,;6.56,.77,;5.02,.77,;4.54,2.23,;3.08,2.71,;5.79,3.14,;8.07,5.42,;7.17,6.67,;9.32,6.33,;6.83,4.51,;11.08,-.51,;12.41,.26,;11.08,-2.05,)| Show InChI InChI=1S/C17H15F3N2O3S/c1-4-24-10-5-8(2)13(12(23)6-10)15-14(11-7-26-9(3)21-11)16(22-25-15)17(18,19)20/h5-7,23H,4H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67869 ((6Z)-3-ethoxy-5-methyl-6-[4-(2-methyl-1,3-thiazol-...) Show SMILES CCOc1cc(C)c(-c2onc(c2-c2csc(C)n2)C(F)(F)F)c(O)c1 |(11.08,-6.67,;11.08,-5.13,;9.75,-4.36,;9.75,-2.82,;8.41,-2.05,;8.41,-.51,;6.87,-.51,;9.75,.26,;9.75,1.8,;10.99,2.71,;10.52,4.17,;8.98,4.17,;8.5,2.71,;7.04,2.23,;6.56,.77,;5.02,.77,;4.54,2.23,;3.08,2.71,;5.79,3.14,;8.07,5.42,;7.17,6.67,;9.32,6.33,;6.83,4.51,;11.08,-.51,;12.41,.26,;11.08,-2.05,)| Show InChI InChI=1S/C17H15F3N2O3S/c1-4-24-10-5-8(2)13(12(23)6-10)15-14(11-7-26-9(3)21-11)16(22-25-15)17(18,19)20/h5-7,23H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair