Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 323.4 BDBM67729

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))	BDBM67729 ((5E)-1-butyl-5-[1-(hexylamino)propylidene]-1,3-dia...) Show SMILES CCCCCCNC(CC)=C1C(=O)NC(=O)N(CCCC)C1=O |w:7.6| Show InChI InChI=1S/C17H29N3O3/c1-4-7-9-10-11-18-13(6-3)14-15(21)19-17(23)20(16(14)22)12-8-5-2/h18H,4-12H2,1-3H3,(H,19,21,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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)	BDBM67729 ((5E)-1-butyl-5-[1-(hexylamino)propylidene]-1,3-dia...) Show SMILES CCCCCCNC(CC)=C1C(=O)NC(=O)N(CCCC)C1=O |w:7.6| Show InChI InChI=1S/C17H29N3O3/c1-4-7-9-10-11-18-13(6-3)14-15(21)19-17(23)20(16(14)22)12-8-5-2/h18H,4-12H2,1-3H3,(H,19,21,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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)	BDBM67729 ((5E)-1-butyl-5-[1-(hexylamino)propylidene]-1,3-dia...) Show SMILES CCCCCCNC(CC)=C1C(=O)NC(=O)N(CCCC)C1=O |w:7.6| Show InChI InChI=1S/C17H29N3O3/c1-4-7-9-10-11-18-13(6-3)14-15(21)19-17(23)20(16(14)22)12-8-5-2/h18H,4-12H2,1-3H3,(H,19,21,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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