Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 288.3 BDBM67716

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))	BDBM67716 (1-(2,4-dihydroxy-5-propyl-phenyl)-2-(4-fluoropheny...) Show SMILES CCCc1cc(C(=O)Cc2ccc(F)cc2)c(O)cc1O Show InChI InChI=1S/C17H17FO3/c1-2-3-12-9-14(17(21)10-15(12)19)16(20)8-11-4-6-13(18)7-5-11/h4-7,9-10,19,21H,2-3,8H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.48E+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)	BDBM67716 (1-(2,4-dihydroxy-5-propyl-phenyl)-2-(4-fluoropheny...) Show SMILES CCCc1cc(C(=O)Cc2ccc(F)cc2)c(O)cc1O Show InChI InChI=1S/C17H17FO3/c1-2-3-12-9-14(17(21)10-15(12)19)16(20)8-11-4-6-13(18)7-5-11/h4-7,9-10,19,21H,2-3,8H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.00E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67716 (1-(2,4-dihydroxy-5-propyl-phenyl)-2-(4-fluoropheny...) Show SMILES CCCc1cc(C(=O)Cc2ccc(F)cc2)c(O)cc1O Show InChI InChI=1S/C17H17FO3/c1-2-3-12-9-14(17(21)10-15(12)19)16(20)8-11-4-6-13(18)7-5-11/h4-7,9-10,19,21H,2-3,8H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.00E+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