Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 325.2 BDBM67956Purchase

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)	BDBM67956 (MLS000576941 | N'-(4-bromobenzylidene)octanohy...) Show SMILES CCCCCCCC(=O)NN=Cc1ccc(Br)cc1 Show InChI InChI=1S/C15H21BrN2O/c1-2-3-4-5-6-7-15(19)18-17-12-13-8-10-14(16)11-9-13/h8-12H,2-7H2,1H3,(H,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.51E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67956 (MLS000576941 | N'-(4-bromobenzylidene)octanohy...) Show SMILES CCCCCCCC(=O)NN=Cc1ccc(Br)cc1 Show InChI InChI=1S/C15H21BrN2O/c1-2-3-4-5-6-7-15(19)18-17-12-13-8-10-14(16)11-9-13/h8-12H,2-7H2,1H3,(H,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.51E+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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67956 (MLS000576941 | N'-(4-bromobenzylidene)octanohy...) Show SMILES CCCCCCCC(=O)NN=Cc1ccc(Br)cc1 Show InChI InChI=1S/C15H21BrN2O/c1-2-3-4-5-6-7-15(19)18-17-12-13-8-10-14(16)11-9-13/h8-12H,2-7H2,1H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.48E+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