Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 320.2 BDBM43524

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

Found 11 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)	BDBM43524 (4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1 Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.44E+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)	BDBM43524 (4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1 Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.44E+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
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM43524 (4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1 Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.79E+3	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 (2012) BindingDB Entry DOI: 10.7270/Q2T15278
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM43524 (4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1 Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM43524 (4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1 Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.21E+4	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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2WS8RN8
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM43524 (4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1 Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.37E+4	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) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2KS6Q2P
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM43524 (4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1 Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.77E+4	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 (2012) BindingDB Entry DOI: 10.7270/Q2XS5T0R
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752] (Homo sapiens (Human))	BDBM43524 (4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1 Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.38E+4	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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2PZ577D
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM43524 (4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1 Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.74E+4	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) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2G15ZB8
					More data for this Ligand-Target Pair
Galanin receptor type 3 (Homo sapiens (Human))	BDBM43524 (4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1 Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.99E+4	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/Q270802Q
					More data for this Ligand-Target Pair
Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (Homo sapiens (Human))	BDBM43524 (4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1 Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24B35DW
					More data for this Ligand-Target Pair