Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 355.3 BDBM67991Purchase

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)	BDBM67991 (MLS000579457 | N-(5,6,7,8-tetrahydro-1-naphthaleny...) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1cccc2CCCCc12 Show InChI InChI=1S/C17H16F3NO2S/c18-17(19,20)13-7-4-8-14(11-13)24(22,23)21-16-10-3-6-12-5-1-2-9-15(12)16/h3-4,6-8,10-11,21H,1-2,5,9H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.82E+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)	BDBM67991 (MLS000579457 | N-(5,6,7,8-tetrahydro-1-naphthaleny...) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1cccc2CCCCc12 Show InChI InChI=1S/C17H16F3NO2S/c18-17(19,20)13-7-4-8-14(11-13)24(22,23)21-16-10-3-6-12-5-1-2-9-15(12)16/h3-4,6-8,10-11,21H,1-2,5,9H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.82E+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))	BDBM67991 (MLS000579457 | N-(5,6,7,8-tetrahydro-1-naphthaleny...) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1cccc2CCCCc12 Show InChI InChI=1S/C17H16F3NO2S/c18-17(19,20)13-7-4-8-14(11-13)24(22,23)21-16-10-3-6-12-5-1-2-9-15(12)16/h3-4,6-8,10-11,21H,1-2,5,9H2	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