Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 352.4 BDBM67843

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))	BDBM67843 ((6Z)-4-ethyl-3-hydroxy-6-[4-(4-isopropylphenoxy)-5...) Show SMILES CCc1cc(-c2n[nH]c(C)c2Oc2ccc(cc2)C(C)C)c(O)cc1O Show InChI InChI=1S/C21H24N2O3/c1-5-14-10-17(19(25)11-18(14)24)20-21(13(4)22-23-20)26-16-8-6-15(7-9-16)12(2)3/h6-12,24-25H,5H2,1-4H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	160	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)	BDBM67843 ((6Z)-4-ethyl-3-hydroxy-6-[4-(4-isopropylphenoxy)-5...) Show SMILES CCc1cc(-c2n[nH]c(C)c2Oc2ccc(cc2)C(C)C)c(O)cc1O Show InChI InChI=1S/C21H24N2O3/c1-5-14-10-17(19(25)11-18(14)24)20-21(13(4)22-23-20)26-16-8-6-15(7-9-16)12(2)3/h6-12,24-25H,5H2,1-4H3,(H,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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)	BDBM67843 ((6Z)-4-ethyl-3-hydroxy-6-[4-(4-isopropylphenoxy)-5...) Show SMILES CCc1cc(-c2n[nH]c(C)c2Oc2ccc(cc2)C(C)C)c(O)cc1O Show InChI InChI=1S/C21H24N2O3/c1-5-14-10-17(19(25)11-18(14)24)20-21(13(4)22-23-20)26-16-8-6-15(7-9-16)12(2)3/h6-12,24-25H,5H2,1-4H3,(H,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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