Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 338.3 BDBM67933Purchase

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))	BDBM67933 (2-phenyl-N-({[3-(trifluoromethyl)phenyl]amino}carb...) Show SMILES FC(F)(F)c1cccc(NC(=S)NC(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C16H13F3N2OS/c17-16(18,19)12-7-4-8-13(10-12)20-15(23)21-14(22)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,20,21,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.36E+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)	BDBM67933 (2-phenyl-N-({[3-(trifluoromethyl)phenyl]amino}carb...) Show SMILES FC(F)(F)c1cccc(NC(=S)NC(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C16H13F3N2OS/c17-16(18,19)12-7-4-8-13(10-12)20-15(23)21-14(22)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,20,21,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67933 (2-phenyl-N-({[3-(trifluoromethyl)phenyl]amino}carb...) Show SMILES FC(F)(F)c1cccc(NC(=S)NC(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C16H13F3N2OS/c17-16(18,19)12-7-4-8-13(10-12)20-15(23)21-14(22)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,20,21,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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