Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 467.3 BDBM68020Purchase

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)	BDBM68020 (2-[6-bromo-2-(4-hydroxyphenyl)-4-phenyl-2,4-dihydr...) Show SMILES CCOC(=O)CN1C(Nc2ccc(Br)cc2C1c1ccccc1)c1ccc(O)cc1 Show InChI InChI=1S/C24H23BrN2O3/c1-2-30-22(29)15-27-23(16-6-4-3-5-7-16)20-14-18(25)10-13-21(20)26-24(27)17-8-11-19(28)12-9-17/h3-14,23-24,26,28H,2,15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.95E+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)	BDBM68020 (2-[6-bromo-2-(4-hydroxyphenyl)-4-phenyl-2,4-dihydr...) Show SMILES CCOC(=O)CN1C(Nc2ccc(Br)cc2C1c1ccccc1)c1ccc(O)cc1 Show InChI InChI=1S/C24H23BrN2O3/c1-2-30-22(29)15-27-23(16-6-4-3-5-7-16)20-14-18(25)10-13-21(20)26-24(27)17-8-11-19(28)12-9-17/h3-14,23-24,26,28H,2,15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.95E+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))	BDBM68020 (2-[6-bromo-2-(4-hydroxyphenyl)-4-phenyl-2,4-dihydr...) Show SMILES CCOC(=O)CN1C(Nc2ccc(Br)cc2C1c1ccccc1)c1ccc(O)cc1 Show InChI InChI=1S/C24H23BrN2O3/c1-2-30-22(29)15-27-23(16-6-4-3-5-7-16)20-14-18(25)10-13-21(20)26-24(27)17-8-11-19(28)12-9-17/h3-14,23-24,26,28H,2,15H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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/Q2NK3CGB
					More data for this Ligand-Target Pair