Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 352.3 BDBM62439Purchase

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

Found 5 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)	BDBM62439 (MLS000570595 | N'-[3-(1,3-benzodioxol-5-yl)-2-...) Show SMILES Cc1cccc(OCC(=O)NN=C\C=C\c2ccc3OCOc3c2)c1C Show InChI InChI=1S/C20H20N2O4/c1-14-5-3-7-17(15(14)2)24-12-20(23)22-21-10-4-6-16-8-9-18-19(11-16)26-13-25-18/h3-11H,12-13H2,1-2H3,(H,22,23)/b6-4+,21-10?	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	170	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)	BDBM62439 (MLS000570595 | N'-[3-(1,3-benzodioxol-5-yl)-2-...) Show SMILES Cc1cccc(OCC(=O)NN=C\C=C\c2ccc3OCOc3c2)c1C Show InChI InChI=1S/C20H20N2O4/c1-14-5-3-7-17(15(14)2)24-12-20(23)22-21-10-4-6-16-8-9-18-19(11-16)26-13-25-18/h3-11H,12-13H2,1-2H3,(H,22,23)/b6-4+,21-10?	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	170	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
Epstein-Barr nuclear antigen 1 (Human herpesvirus 4)	BDBM62439 (MLS000570595 | N'-[3-(1,3-benzodioxol-5-yl)-2-...) Show SMILES Cc1cccc(OCC(=O)NN=C\C=C\c2ccc3OCOc3c2)c1C Show InChI InChI=1S/C20H20N2O4/c1-14-5-3-7-17(15(14)2)24-12-20(23)22-21-10-4-6-16-8-9-18-19(11-16)26-13-25-18/h3-11H,12-13H2,1-2H3,(H,22,23)/b6-4+,21-10?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2RJ4GXC
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM62439 (MLS000570595 | N'-[3-(1,3-benzodioxol-5-yl)-2-...) Show SMILES Cc1cccc(OCC(=O)NN=C\C=C\c2ccc3OCOc3c2)c1C Show InChI InChI=1S/C20H20N2O4/c1-14-5-3-7-17(15(14)2)24-12-20(23)22-21-10-4-6-16-8-9-18-19(11-16)26-13-25-18/h3-11H,12-13H2,1-2H3,(H,22,23)/b6-4+,21-10?	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
Trans-activator protein BZLF1 (Human herpesvirus 4)	BDBM62439 (MLS000570595 | N'-[3-(1,3-benzodioxol-5-yl)-2-...) Show SMILES Cc1cccc(OCC(=O)NN=C\C=C\c2ccc3OCOc3c2)c1C Show InChI InChI=1S/C20H20N2O4/c1-14-5-3-7-17(15(14)2)24-12-20(23)22-21-10-4-6-16-8-9-18-19(11-16)26-13-25-18/h3-11H,12-13H2,1-2H3,(H,22,23)/b6-4+,21-10?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2W957MN
					More data for this Ligand-Target Pair