Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 345.8 BDBM67878Purchase

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))	BDBM67878 (2-chloranyl-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-...) Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)CCl Show InChI InChI=1S/C19H20ClNO3/c1-23-16-10-14-8-9-21(18(22)12-20)19(13-6-4-3-5-7-13)15(14)11-17(16)24-2/h3-7,10-11,19H,8-9,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.49E+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)	BDBM67878 (2-chloranyl-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-...) Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)CCl Show InChI InChI=1S/C19H20ClNO3/c1-23-16-10-14-8-9-21(18(22)12-20)19(13-6-4-3-5-7-13)15(14)11-17(16)24-2/h3-7,10-11,19H,8-9,12H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67878 (2-chloranyl-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-...) Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)CCl Show InChI InChI=1S/C19H20ClNO3/c1-23-16-10-14-8-9-21(18(22)12-20)19(13-6-4-3-5-7-13)15(14)11-17(16)24-2/h3-7,10-11,19H,8-9,12H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair