Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 378.2 BDBM68092Purchase

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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68092 ((6E)-4-bromanyl-2-ethoxy-6-[[(2-oxidanyl-5-propyl-...) Show SMILES CCCc1ccc(O)c(c1)N=Cc1cc(Br)cc(OCC)c1O |w:10.10| Show InChI InChI=1S/C18H20BrNO3/c1-3-5-12-6-7-16(21)15(8-12)20-11-13-9-14(19)10-17(18(13)22)23-4-2/h6-11,21-22H,3-5H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	760	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)	BDBM68092 ((6E)-4-bromanyl-2-ethoxy-6-[[(2-oxidanyl-5-propyl-...) Show SMILES CCCc1ccc(O)c(c1)N=Cc1cc(Br)cc(OCC)c1O |w:10.10| Show InChI InChI=1S/C18H20BrNO3/c1-3-5-12-6-7-16(21)15(8-12)20-11-13-9-14(19)10-17(18(13)22)23-4-2/h6-11,21-22H,3-5H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	760	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))	BDBM68092 ((6E)-4-bromanyl-2-ethoxy-6-[[(2-oxidanyl-5-propyl-...) Show SMILES CCCc1ccc(O)c(c1)N=Cc1cc(Br)cc(OCC)c1O |w:10.10| Show InChI InChI=1S/C18H20BrNO3/c1-3-5-12-6-7-16(21)15(8-12)20-11-13-9-14(19)10-17(18(13)22)23-4-2/h6-11,21-22H,3-5H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	900	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