Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 408.4 BDBM67912Purchase

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))	BDBM67912 ((E)-2-cyano-3-[5-(4-methylphenyl)-2-furanyl]-N-(5-...) Show SMILES Cc1cc(NC(=O)C(=C\c2ccc(o2)-c2ccc(C)cc2)\C#N)n(n1)-c1ccccc1 Show InChI InChI=1S/C25H20N4O2/c1-17-8-10-19(11-9-17)23-13-12-22(31-23)15-20(16-26)25(30)27-24-14-18(2)28-29(24)21-6-4-3-5-7-21/h3-15H,1-2H3,(H,27,30)/b20-15+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.00E+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)	BDBM67912 ((E)-2-cyano-3-[5-(4-methylphenyl)-2-furanyl]-N-(5-...) Show SMILES Cc1cc(NC(=O)C(=C\c2ccc(o2)-c2ccc(C)cc2)\C#N)n(n1)-c1ccccc1 Show InChI InChI=1S/C25H20N4O2/c1-17-8-10-19(11-9-17)23-13-12-22(31-23)15-20(16-26)25(30)27-24-14-18(2)28-29(24)21-6-4-3-5-7-21/h3-15H,1-2H3,(H,27,30)/b20-15+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.93E+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)	BDBM67912 ((E)-2-cyano-3-[5-(4-methylphenyl)-2-furanyl]-N-(5-...) Show SMILES Cc1cc(NC(=O)C(=C\c2ccc(o2)-c2ccc(C)cc2)\C#N)n(n1)-c1ccccc1 Show InChI InChI=1S/C25H20N4O2/c1-17-8-10-19(11-9-17)23-13-12-22(31-23)15-20(16-26)25(30)27-24-14-18(2)28-29(24)21-6-4-3-5-7-21/h3-15H,1-2H3,(H,27,30)/b20-15+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.93E+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