Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 346.2 BDBM54190Purchase

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

Found 8 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
Tumor necrosis factor (Homo sapiens (Human))	BDBM54190 (1-[4-(difluoromethoxy)phenyl]-3-[3-(trifluoromethy...) Show SMILES FC(F)Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H11F5N2O2/c16-13(17)24-12-6-4-10(5-7-12)21-14(23)22-11-3-1-2-9(8-11)15(18,19)20/h1-8,13H,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25M6443
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM54190 (1-[4-(difluoromethoxy)phenyl]-3-[3-(trifluoromethy...) Show SMILES FC(F)Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H11F5N2O2/c16-13(17)24-12-6-4-10(5-7-12)21-14(23)22-11-3-1-2-9(8-11)15(18,19)20/h1-8,13H,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM54190 (1-[4-(difluoromethoxy)phenyl]-3-[3-(trifluoromethy...) Show SMILES FC(F)Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H11F5N2O2/c16-13(17)24-12-6-4-10(5-7-12)21-14(23)22-11-3-1-2-9(8-11)15(18,19)20/h1-8,13H,(H2,21,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.20E+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)	BDBM54190 (1-[4-(difluoromethoxy)phenyl]-3-[3-(trifluoromethy...) Show SMILES FC(F)Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H11F5N2O2/c16-13(17)24-12-6-4-10(5-7-12)21-14(23)22-11-3-1-2-9(8-11)15(18,19)20/h1-8,13H,(H2,21,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.20E+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))	BDBM54190 (1-[4-(difluoromethoxy)phenyl]-3-[3-(trifluoromethy...) Show SMILES FC(F)Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H11F5N2O2/c16-13(17)24-12-6-4-10(5-7-12)21-14(23)22-11-3-1-2-9(8-11)15(18,19)20/h1-8,13H,(H2,21,22,23)	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
RecBCD enzyme subunit RecD (Escherichia coli str. K-12 substr. MG1655)	BDBM54190 (1-[4-(difluoromethoxy)phenyl]-3-[3-(trifluoromethy...) Show SMILES FC(F)Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H11F5N2O2/c16-13(17)24-12-6-4-10(5-7-12)21-14(23)22-11-3-1-2-9(8-11)15(18,19)20/h1-8,13H,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q21G0JXG
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54190 (1-[4-(difluoromethoxy)phenyl]-3-[3-(trifluoromethy...) Show SMILES FC(F)Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H11F5N2O2/c16-13(17)24-12-6-4-10(5-7-12)21-14(23)22-11-3-1-2-9(8-11)15(18,19)20/h1-8,13H,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.15E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CN72C0
					More data for this Ligand-Target Pair
Streptokinase A (Streptococcus pyogenes M1 GAS)	BDBM54190 (1-[4-(difluoromethoxy)phenyl]-3-[3-(trifluoromethy...) Show SMILES FC(F)Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H11F5N2O2/c16-13(17)24-12-6-4-10(5-7-12)21-14(23)22-11-3-1-2-9(8-11)15(18,19)20/h1-8,13H,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV
					More data for this Ligand-Target Pair