Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 428.8 BDBM67928Purchase

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))	BDBM67928 (4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxy...) Show SMILES FC(F)(F)c1cnc(Oc2ccc(cc2)S(=O)(=O)Nc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C18H12ClF3N2O3S/c19-16-10-12(18(20,21)22)11-23-17(16)27-14-6-8-15(9-7-14)28(25,26)24-13-4-2-1-3-5-13/h1-11,24H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.17E+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)	BDBM67928 (4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxy...) Show SMILES FC(F)(F)c1cnc(Oc2ccc(cc2)S(=O)(=O)Nc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C18H12ClF3N2O3S/c19-16-10-12(18(20,21)22)11-23-17(16)27-14-6-8-15(9-7-14)28(25,26)24-13-4-2-1-3-5-13/h1-11,24H	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)	BDBM67928 (4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxy...) Show SMILES FC(F)(F)c1cnc(Oc2ccc(cc2)S(=O)(=O)Nc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C18H12ClF3N2O3S/c19-16-10-12(18(20,21)22)11-23-17(16)27-14-6-8-15(9-7-14)28(25,26)24-13-4-2-1-3-5-13/h1-11,24H	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