Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 345.4 BDBM67760Purchase

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)	BDBM67760 (2-keto-6-methyl-4-(2-propoxyphenyl)-3,4-dihydro-1H...) Show SMILES CCCOc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCC(C)C |c:17| Show InChI InChI=1S/C20H27NO4/c1-5-10-24-17-9-7-6-8-15(17)16-11-18(22)21-14(4)19(16)20(23)25-12-13(2)3/h6-9,13,16H,5,10-12H2,1-4H3,(H,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.40E+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)	BDBM67760 (2-keto-6-methyl-4-(2-propoxyphenyl)-3,4-dihydro-1H...) Show SMILES CCCOc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCC(C)C |c:17| Show InChI InChI=1S/C20H27NO4/c1-5-10-24-17-9-7-6-8-15(17)16-11-18(22)21-14(4)19(16)20(23)25-12-13(2)3/h6-9,13,16H,5,10-12H2,1-4H3,(H,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.40E+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))	BDBM67760 (2-keto-6-methyl-4-(2-propoxyphenyl)-3,4-dihydro-1H...) Show SMILES CCCOc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCC(C)C |c:17| Show InChI InChI=1S/C20H27NO4/c1-5-10-24-17-9-7-6-8-15(17)16-11-18(22)21-14(4)19(16)20(23)25-12-13(2)3/h6-9,13,16H,5,10-12H2,1-4H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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/Q2NK3CGB
					More data for this Ligand-Target Pair