Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 306.7 BDBM67927Purchase

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)	BDBM67927 ((4E)-4-[(4-chloroanilino)methylene]-5-keto-2-methy...) Show SMILES CCOC(=O)C1=C(C)NC(=O)C1=CNc1ccc(Cl)cc1 |w:12.13,c:5| Show InChI InChI=1S/C15H15ClN2O3/c1-3-21-15(20)13-9(2)18-14(19)12(13)8-17-11-6-4-10(16)5-7-11/h4-8,17H,3H2,1-2H3,(H,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	660	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)	BDBM67927 ((4E)-4-[(4-chloroanilino)methylene]-5-keto-2-methy...) Show SMILES CCOC(=O)C1=C(C)NC(=O)C1=CNc1ccc(Cl)cc1 |w:12.13,c:5| Show InChI InChI=1S/C15H15ClN2O3/c1-3-21-15(20)13-9(2)18-14(19)12(13)8-17-11-6-4-10(16)5-7-11/h4-8,17H,3H2,1-2H3,(H,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	660	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))	BDBM67927 ((4E)-4-[(4-chloroanilino)methylene]-5-keto-2-methy...) Show SMILES CCOC(=O)C1=C(C)NC(=O)C1=CNc1ccc(Cl)cc1 |w:12.13,c:5| Show InChI InChI=1S/C15H15ClN2O3/c1-3-21-15(20)13-9(2)18-14(19)12(13)8-17-11-6-4-10(16)5-7-11/h4-8,17H,3H2,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.12E+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