Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 449.4 BDBM67978Purchase

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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67978 (1-[4-(tosylamino)phenyl]-3-[3-(trifluoromethyl)phe...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H18F3N3O3S/c1-14-5-11-19(12-6-14)31(29,30)27-17-9-7-16(8-10-17)25-20(28)26-18-4-2-3-15(13-18)21(22,23)24/h2-13,27H,1H3,(H2,25,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.64E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67978 (1-[4-(tosylamino)phenyl]-3-[3-(trifluoromethyl)phe...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H18F3N3O3S/c1-14-5-11-19(12-6-14)31(29,30)27-17-9-7-16(8-10-17)25-20(28)26-18-4-2-3-15(13-18)21(22,23)24/h2-13,27H,1H3,(H2,25,26,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.32E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67978 (1-[4-(tosylamino)phenyl]-3-[3-(trifluoromethyl)phe...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H18F3N3O3S/c1-14-5-11-19(12-6-14)31(29,30)27-17-9-7-16(8-10-17)25-20(28)26-18-4-2-3-15(13-18)21(22,23)24/h2-13,27H,1H3,(H2,25,26,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.32E+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