Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 292.4 BDBM57779Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 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))	BDBM57779 ((3-tert-butyl-4-hydroxyphenyl) 2-ethylhexanoate | ...) Show SMILES CCCCC(CC)C(=O)Oc1ccc(O)c(c1)C(C)(C)C Show InChI InChI=1S/C18H28O3/c1-6-8-9-13(7-2)17(20)21-14-10-11-16(19)15(12-14)18(3,4)5/h10-13,19H,6-9H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.04E+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)	BDBM57779 ((3-tert-butyl-4-hydroxyphenyl) 2-ethylhexanoate | ...) Show SMILES CCCCC(CC)C(=O)Oc1ccc(O)c(c1)C(C)(C)C Show InChI InChI=1S/C18H28O3/c1-6-8-9-13(7-2)17(20)21-14-10-11-16(19)15(12-14)18(3,4)5/h10-13,19H,6-9H2,1-5H3	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)	BDBM57779 ((3-tert-butyl-4-hydroxyphenyl) 2-ethylhexanoate | ...) Show SMILES CCCCC(CC)C(=O)Oc1ccc(O)c(c1)C(C)(C)C Show InChI InChI=1S/C18H28O3/c1-6-8-9-13(7-2)17(20)21-14-10-11-16(19)15(12-14)18(3,4)5/h10-13,19H,6-9H2,1-5H3	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
Streptokinase A (Streptococcus pyogenes M1 GAS)	BDBM57779 ((3-tert-butyl-4-hydroxyphenyl) 2-ethylhexanoate | ...) Show SMILES CCCCC(CC)C(=O)Oc1ccc(O)c(c1)C(C)(C)C Show InChI InChI=1S/C18H28O3/c1-6-8-9-13(7-2)17(20)21-14-10-11-16(19)15(12-14)18(3,4)5/h10-13,19H,6-9H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.96E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV
					More data for this Ligand-Target Pair