Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 380.4 BDBM67762Purchase

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)	BDBM67762 (2-ethoxy-6-({4-[3-(trifluoromethyl)phenyl]-1-piper...) Show SMILES CCOc1cccc(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1O Show InChI InChI=1S/C20H23F3N2O2/c1-2-27-18-8-3-5-15(19(18)26)14-24-9-11-25(12-10-24)17-7-4-6-16(13-17)20(21,22)23/h3-8,13,26H,2,9-12,14H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.89E+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)	BDBM67762 (2-ethoxy-6-({4-[3-(trifluoromethyl)phenyl]-1-piper...) Show SMILES CCOc1cccc(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1O Show InChI InChI=1S/C20H23F3N2O2/c1-2-27-18-8-3-5-15(19(18)26)14-24-9-11-25(12-10-24)17-7-4-6-16(13-17)20(21,22)23/h3-8,13,26H,2,9-12,14H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.89E+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))	BDBM67762 (2-ethoxy-6-({4-[3-(trifluoromethyl)phenyl]-1-piper...) Show SMILES CCOc1cccc(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1O Show InChI InChI=1S/C20H23F3N2O2/c1-2-27-18-8-3-5-15(19(18)26)14-24-9-11-25(12-10-24)17-7-4-6-16(13-17)20(21,22)23/h3-8,13,26H,2,9-12,14H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.24E+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