Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 445.4 BDBM67827Purchase

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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67827 (1-[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-3-[3-...) Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H19F4N3O3S/c20-14-4-6-17(7-5-14)30(28,29)26-10-8-15(9-11-26)24-18(27)25-16-3-1-2-13(12-16)19(21,22)23/h1-7,12,15H,8-11H2,(H2,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.06E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67827 (1-[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-3-[3-...) Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H19F4N3O3S/c20-14-4-6-17(7-5-14)30(28,29)26-10-8-15(9-11-26)24-18(27)25-16-3-1-2-13(12-16)19(21,22)23/h1-7,12,15H,8-11H2,(H2,24,25,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.33E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67827 (1-[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-3-[3-...) Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H19F4N3O3S/c20-14-4-6-17(7-5-14)30(28,29)26-10-8-15(9-11-26)24-18(27)25-16-3-1-2-13(12-16)19(21,22)23/h1-7,12,15H,8-11H2,(H2,24,25,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.33E+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