Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 424.4 BDBM67930Purchase

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))	BDBM67930 (MLS000547361 | SMR000180260 | chroman-4'-one-3...) Show SMILES CN1CC(c2ccc(C)cc2)C2(COc3ccccc3C2=O)C11C(=O)Nc2ccccc12 Show InChI InChI=1S/C27H24N2O3/c1-17-11-13-18(14-12-17)21-15-29(2)27(20-8-4-5-9-22(20)28-25(27)31)26(21)16-32-23-10-6-3-7-19(23)24(26)30/h3-14,21H,15-16H2,1-2H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	760	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)	BDBM67930 (MLS000547361 | SMR000180260 | chroman-4'-one-3...) Show SMILES CN1CC(c2ccc(C)cc2)C2(COc3ccccc3C2=O)C11C(=O)Nc2ccccc12 Show InChI InChI=1S/C27H24N2O3/c1-17-11-13-18(14-12-17)21-15-29(2)27(20-8-4-5-9-22(20)28-25(27)31)26(21)16-32-23-10-6-3-7-19(23)24(26)30/h3-14,21H,15-16H2,1-2H3,(H,28,31)	KEGG UniProtKB/SwissProt 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/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67930 (MLS000547361 | SMR000180260 | chroman-4'-one-3...) Show SMILES CN1CC(c2ccc(C)cc2)C2(COc3ccccc3C2=O)C11C(=O)Nc2ccccc12 Show InChI InChI=1S/C27H24N2O3/c1-17-11-13-18(14-12-17)21-15-29(2)27(20-8-4-5-9-22(20)28-25(27)31)26(21)16-32-23-10-6-3-7-19(23)24(26)30/h3-14,21H,15-16H2,1-2H3,(H,28,31)	KEGG UniProtKB/SwissProt 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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair