Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 451.8 BDBM67879Purchase

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)	BDBM67879 (2-[2-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxo...) Show SMILES CCOC(=O)Cc1csc(NC(=O)NC2(Oc3ccc(Cl)cc3O2)C(F)(F)F)n1 Show InChI InChI=1S/C16H13ClF3N3O5S/c1-2-26-12(24)6-9-7-29-14(21-9)22-13(25)23-16(15(18,19)20)27-10-4-3-8(17)5-11(10)28-16/h3-5,7H,2,6H2,1H3,(H2,21,22,23,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+3	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)	BDBM67879 (2-[2-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxo...) Show SMILES CCOC(=O)Cc1csc(NC(=O)NC2(Oc3ccc(Cl)cc3O2)C(F)(F)F)n1 Show InChI InChI=1S/C16H13ClF3N3O5S/c1-2-26-12(24)6-9-7-29-14(21-9)22-13(25)23-16(15(18,19)20)27-10-4-3-8(17)5-11(10)28-16/h3-5,7H,2,6H2,1H3,(H2,21,22,23,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+3	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))	BDBM67879 (2-[2-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxo...) Show SMILES CCOC(=O)Cc1csc(NC(=O)NC2(Oc3ccc(Cl)cc3O2)C(F)(F)F)n1 Show InChI InChI=1S/C16H13ClF3N3O5S/c1-2-26-12(24)6-9-7-29-14(21-9)22-13(25)23-16(15(18,19)20)27-10-4-3-8(17)5-11(10)28-16/h3-5,7H,2,6H2,1H3,(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.13E+3	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