Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 352.1 BDBM57375Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 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)	BDBM57375 (4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl...) Show SMILES CCNc1nc(Oc2c(Cl)cccc2Cl)cc(n1)C(F)(F)F Show InChI InChI=1S/C13H10Cl2F3N3O/c1-2-19-12-20-9(13(16,17)18)6-10(21-12)22-11-7(14)4-3-5-8(11)15/h3-6H,2H2,1H3,(H,19,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.97E+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)	BDBM57375 (4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl...) Show SMILES CCNc1nc(Oc2c(Cl)cccc2Cl)cc(n1)C(F)(F)F Show InChI InChI=1S/C13H10Cl2F3N3O/c1-2-19-12-20-9(13(16,17)18)6-10(21-12)22-11-7(14)4-3-5-8(11)15/h3-6H,2H2,1H3,(H,19,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.97E+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))	BDBM57375 (4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl...) Show SMILES CCNc1nc(Oc2c(Cl)cccc2Cl)cc(n1)C(F)(F)F Show InChI InChI=1S/C13H10Cl2F3N3O/c1-2-19-12-20-9(13(16,17)18)6-10(21-12)22-11-7(14)4-3-5-8(11)15/h3-6H,2H2,1H3,(H,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia 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/Q2NK3CGB
					More data for this Ligand-Target Pair
Streptokinase A (Streptococcus pyogenes M1 GAS)	BDBM57375 (4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl...) Show SMILES CCNc1nc(Oc2c(Cl)cccc2Cl)cc(n1)C(F)(F)F Show InChI InChI=1S/C13H10Cl2F3N3O/c1-2-19-12-20-9(13(16,17)18)6-10(21-12)22-11-7(14)4-3-5-8(11)15/h3-6H,2H2,1H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV
					More data for this Ligand-Target Pair