Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 404.3 BDBM67801Purchase

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)	BDBM67801 (3-(5-bromanyl-2-oxidanyl-phenyl)-N-hexyl-3-phenyl-...) Show SMILES CCCCCCNC(=O)CC(c1ccccc1)c1cc(Br)ccc1O Show InChI InChI=1S/C21H26BrNO2/c1-2-3-4-8-13-23-21(25)15-18(16-9-6-5-7-10-16)19-14-17(22)11-12-20(19)24/h5-7,9-12,14,18,24H,2-4,8,13,15H2,1H3,(H,23,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.10E+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)	BDBM67801 (3-(5-bromanyl-2-oxidanyl-phenyl)-N-hexyl-3-phenyl-...) Show SMILES CCCCCCNC(=O)CC(c1ccccc1)c1cc(Br)ccc1O Show InChI InChI=1S/C21H26BrNO2/c1-2-3-4-8-13-23-21(25)15-18(16-9-6-5-7-10-16)19-14-17(22)11-12-20(19)24/h5-7,9-12,14,18,24H,2-4,8,13,15H2,1H3,(H,23,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.10E+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))	BDBM67801 (3-(5-bromanyl-2-oxidanyl-phenyl)-N-hexyl-3-phenyl-...) Show SMILES CCCCCCNC(=O)CC(c1ccccc1)c1cc(Br)ccc1O Show InChI InChI=1S/C21H26BrNO2/c1-2-3-4-8-13-23-21(25)15-18(16-9-6-5-7-10-16)19-14-17(22)11-12-20(19)24/h5-7,9-12,14,18,24H,2-4,8,13,15H2,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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/Q2NK3CGB
					More data for this Ligand-Target Pair