Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 324.3 BDBM68120Purchase

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))	BDBM68120 (MLS000764716 | N-(3,4-dihydro-1H-2-benzopyran-1-yl...) Show SMILES Cc1ccc(NC(=O)C(=O)NCC2OCCc3ccccc23)cc1 Show InChI InChI=1S/C19H20N2O3/c1-13-6-8-15(9-7-13)21-19(23)18(22)20-12-17-16-5-3-2-4-14(16)10-11-24-17/h2-9,17H,10-12H2,1H3,(H,20,22)(H,21,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	350	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)	BDBM68120 (MLS000764716 | N-(3,4-dihydro-1H-2-benzopyran-1-yl...) Show SMILES Cc1ccc(NC(=O)C(=O)NCC2OCCc3ccccc23)cc1 Show InChI InChI=1S/C19H20N2O3/c1-13-6-8-15(9-7-13)21-19(23)18(22)20-12-17-16-5-3-2-4-14(16)10-11-24-17/h2-9,17H,10-12H2,1H3,(H,20,22)(H,21,23)	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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68120 (MLS000764716 | N-(3,4-dihydro-1H-2-benzopyran-1-yl...) Show SMILES Cc1ccc(NC(=O)C(=O)NCC2OCCc3ccccc23)cc1 Show InChI InChI=1S/C19H20N2O3/c1-13-6-8-15(9-7-13)21-19(23)18(22)20-12-17-16-5-3-2-4-14(16)10-11-24-17/h2-9,17H,10-12H2,1H3,(H,20,22)(H,21,23)	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