Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 378.4 BDBM67901Purchase

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))	BDBM67901 (4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methy...) Show SMILES CCOc1ccc(cc1)-c1cc(CCCC(=O)NCc2ccc(C)cc2)no1 Show InChI InChI=1S/C23H26N2O3/c1-3-27-21-13-11-19(12-14-21)22-15-20(25-28-22)5-4-6-23(26)24-16-18-9-7-17(2)8-10-18/h7-15H,3-6,16H2,1-2H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	500	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)	BDBM67901 (4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methy...) Show SMILES CCOc1ccc(cc1)-c1cc(CCCC(=O)NCc2ccc(C)cc2)no1 Show InChI InChI=1S/C23H26N2O3/c1-3-27-21-13-11-19(12-14-21)22-15-20(25-28-22)5-4-6-23(26)24-16-18-9-7-17(2)8-10-18/h7-15H,3-6,16H2,1-2H3,(H,24,26)	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)	BDBM67901 (4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methy...) Show SMILES CCOc1ccc(cc1)-c1cc(CCCC(=O)NCc2ccc(C)cc2)no1 Show InChI InChI=1S/C23H26N2O3/c1-3-27-21-13-11-19(12-14-21)22-15-20(25-28-22)5-4-6-23(26)24-16-18-9-7-17(2)8-10-18/h7-15H,3-6,16H2,1-2H3,(H,24,26)	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