Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 361.2 BDBM68133Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 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)	BDBM68133 (1-(2-chloranylethanoyl)-9b-(4-chlorophenyl)-2,3-di...) Show SMILES ClCC(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14Cl2N2O2/c19-11-16(23)21-9-10-22-17(24)14-3-1-2-4-15(14)18(21,22)12-5-7-13(20)8-6-12/h1-8H,9-11H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.88E+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)	BDBM68133 (1-(2-chloranylethanoyl)-9b-(4-chlorophenyl)-2,3-di...) Show SMILES ClCC(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14Cl2N2O2/c19-11-16(23)21-9-10-22-17(24)14-3-1-2-4-15(14)18(21,22)12-5-7-13(20)8-6-12/h1-8H,9-11H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.88E+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))	BDBM68133 (1-(2-chloranylethanoyl)-9b-(4-chlorophenyl)-2,3-di...) Show SMILES ClCC(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14Cl2N2O2/c19-11-16(23)21-9-10-22-17(24)14-3-1-2-4-15(14)18(21,22)12-5-7-13(20)8-6-12/h1-8H,9-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.31E+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
Heat shock factor protein 1 (Mus musculus)	BDBM68133 (1-(2-chloranylethanoyl)-9b-(4-chlorophenyl)-2,3-di...) Show SMILES ClCC(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14Cl2N2O2/c19-11-16(23)21-9-10-22-17(24)14-3-1-2-4-15(14)18(21,22)12-5-7-13(20)8-6-12/h1-8H,9-11H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK
					More data for this Ligand-Target Pair