Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 460.8 BDBM67971Purchase

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))	BDBM67971 (2-(4-ethylphenoxy)-N-[2,2,2-trichloro-1-(phenylcar...) Show SMILES CCc1ccc(OCC(=O)NC(NC(=S)Nc2ccccc2)C(Cl)(Cl)Cl)cc1 Show InChI InChI=1S/C19H20Cl3N3O2S/c1-2-13-8-10-15(11-9-13)27-12-16(26)24-17(19(20,21)22)25-18(28)23-14-6-4-3-5-7-14/h3-11,17H,2,12H2,1H3,(H,24,26)(H2,23,25,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.90E+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)	BDBM67971 (2-(4-ethylphenoxy)-N-[2,2,2-trichloro-1-(phenylcar...) Show SMILES CCc1ccc(OCC(=O)NC(NC(=S)Nc2ccccc2)C(Cl)(Cl)Cl)cc1 Show InChI InChI=1S/C19H20Cl3N3O2S/c1-2-13-8-10-15(11-9-13)27-12-16(26)24-17(19(20,21)22)25-18(28)23-14-6-4-3-5-7-14/h3-11,17H,2,12H2,1H3,(H,24,26)(H2,23,25,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67971 (2-(4-ethylphenoxy)-N-[2,2,2-trichloro-1-(phenylcar...) Show SMILES CCc1ccc(OCC(=O)NC(NC(=S)Nc2ccccc2)C(Cl)(Cl)Cl)cc1 Show InChI InChI=1S/C19H20Cl3N3O2S/c1-2-13-8-10-15(11-9-13)27-12-16(26)24-17(19(20,21)22)25-18(28)23-14-6-4-3-5-7-14/h3-11,17H,2,12H2,1H3,(H,24,26)(H2,23,25,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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