Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 366.4 BDBM67736Purchase

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)	BDBM67736 ((6E)-6-[4-(2-ethoxyphenoxy)-1,2-dihydropyrazol-3-y...) Show SMILES CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCC(C)=C)cc1O Show InChI InChI=1S/C21H22N2O4/c1-4-25-18-7-5-6-8-19(18)27-20-12-22-23-21(20)16-10-9-15(11-17(16)24)26-13-14(2)3/h5-12,24H,2,4,13H2,1,3H3,(H,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.43E+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)	BDBM67736 ((6E)-6-[4-(2-ethoxyphenoxy)-1,2-dihydropyrazol-3-y...) Show SMILES CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCC(C)=C)cc1O Show InChI InChI=1S/C21H22N2O4/c1-4-25-18-7-5-6-8-19(18)27-20-12-22-23-21(20)16-10-9-15(11-17(16)24)26-13-14(2)3/h5-12,24H,2,4,13H2,1,3H3,(H,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.43E+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))	BDBM67736 ((6E)-6-[4-(2-ethoxyphenoxy)-1,2-dihydropyrazol-3-y...) Show SMILES CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCC(C)=C)cc1O Show InChI InChI=1S/C21H22N2O4/c1-4-25-18-7-5-6-8-19(18)27-20-12-22-23-21(20)16-10-9-15(11-17(16)24)26-13-14(2)3/h5-12,24H,2,4,13H2,1,3H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia 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/Q2NK3CGB
					More data for this Ligand-Target Pair