Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 414.3 BDBM68081Purchase

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)	BDBM68081 (3,5-bis(difluoromethyl)-1-{5-[(2,5-dimethylphenoxy...) Show SMILES Cc1ccc(C)c(OCc2ccc(o2)C(=O)N2N=C(CC2(O)C(F)F)C(F)F)c1 |c:18| Show InChI InChI=1S/C19H18F4N2O4/c1-10-3-4-11(2)15(7-10)28-9-12-5-6-14(29-12)17(26)25-19(27,18(22)23)8-13(24-25)16(20)21/h3-7,16,18,27H,8-9H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.47E+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)	BDBM68081 (3,5-bis(difluoromethyl)-1-{5-[(2,5-dimethylphenoxy...) Show SMILES Cc1ccc(C)c(OCc2ccc(o2)C(=O)N2N=C(CC2(O)C(F)F)C(F)F)c1 |c:18| Show InChI InChI=1S/C19H18F4N2O4/c1-10-3-4-11(2)15(7-10)28-9-12-5-6-14(29-12)17(26)25-19(27,18(22)23)8-13(24-25)16(20)21/h3-7,16,18,27H,8-9H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.47E+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))	BDBM68081 (3,5-bis(difluoromethyl)-1-{5-[(2,5-dimethylphenoxy...) Show SMILES Cc1ccc(C)c(OCc2ccc(o2)C(=O)N2N=C(CC2(O)C(F)F)C(F)F)c1 |c:18| Show InChI InChI=1S/C19H18F4N2O4/c1-10-3-4-11(2)15(7-10)28-9-12-5-6-14(29-12)17(26)25-19(27,18(22)23)8-13(24-25)16(20)21/h3-7,16,18,27H,8-9H2,1-2H3	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