Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 385.4 BDBM68051Purchase

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))	BDBM68051 (MLS000374888 | N-[(4-ethoxybenzylidene)amino]-2-(2...) Show SMILES CCOc1ccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1 Show InChI InChI=1S/C23H19N3O3/c1-2-28-17-11-9-16(10-12-17)15-24-26-23(27)19-14-21(22-8-5-13-29-22)25-20-7-4-3-6-18(19)20/h3-15H,2H2,1H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.17E+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)	BDBM68051 (MLS000374888 | N-[(4-ethoxybenzylidene)amino]-2-(2...) Show SMILES CCOc1ccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1 Show InChI InChI=1S/C23H19N3O3/c1-2-28-17-11-9-16(10-12-17)15-24-26-23(27)19-14-21(22-8-5-13-29-22)25-20-7-4-3-6-18(19)20/h3-15H,2H2,1H3,(H,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.98E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68051 (MLS000374888 | N-[(4-ethoxybenzylidene)amino]-2-(2...) Show SMILES CCOc1ccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1 Show InChI InChI=1S/C23H19N3O3/c1-2-28-17-11-9-16(10-12-17)15-24-26-23(27)19-14-21(22-8-5-13-29-22)25-20-7-4-3-6-18(19)20/h3-15H,2H2,1H3,(H,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.98E+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