Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 495.2 BDBM67970Purchase

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))	BDBM67970 (2-(4-ethylphenoxy)-N-[2,2,2-trichloro-1-({[(4-chlo...) Show SMILES CCc1ccc(OCC(=O)NC(NC(=S)Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 Show InChI InChI=1S/C19H19Cl4N3O2S/c1-2-12-3-9-15(10-4-12)28-11-16(27)25-17(19(21,22)23)26-18(29)24-14-7-5-13(20)6-8-14/h3-10,17H,2,11H2,1H3,(H,25,27)(H2,24,26,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.14E+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)	BDBM67970 (2-(4-ethylphenoxy)-N-[2,2,2-trichloro-1-({[(4-chlo...) Show SMILES CCc1ccc(OCC(=O)NC(NC(=S)Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 Show InChI InChI=1S/C19H19Cl4N3O2S/c1-2-12-3-9-15(10-4-12)28-11-16(27)25-17(19(21,22)23)26-18(29)24-14-7-5-13(20)6-8-14/h3-10,17H,2,11H2,1H3,(H,25,27)(H2,24,26,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.37E+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)	BDBM67970 (2-(4-ethylphenoxy)-N-[2,2,2-trichloro-1-({[(4-chlo...) Show SMILES CCc1ccc(OCC(=O)NC(NC(=S)Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 Show InChI InChI=1S/C19H19Cl4N3O2S/c1-2-12-3-9-15(10-4-12)28-11-16(27)25-17(19(21,22)23)26-18(29)24-14-7-5-13(20)6-8-14/h3-10,17H,2,11H2,1H3,(H,25,27)(H2,24,26,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.37E+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