Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 286.3 BDBM68091Purchase

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))	BDBM68091 (1-(4-tert-butylphenyl)-3-(4-fluorophenyl)urea | ML...) Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H19FN2O/c1-17(2,3)12-4-8-14(9-5-12)19-16(21)20-15-10-6-13(18)7-11-15/h4-11H,1-3H3,(H2,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	690	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)	BDBM68091 (1-(4-tert-butylphenyl)-3-(4-fluorophenyl)urea | ML...) Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H19FN2O/c1-17(2,3)12-4-8-14(9-5-12)19-16(21)20-15-10-6-13(18)7-11-15/h4-11H,1-3H3,(H2,19,20,21)	KEGG UniProtKB/SwissProt 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/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68091 (1-(4-tert-butylphenyl)-3-(4-fluorophenyl)urea | ML...) Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H19FN2O/c1-17(2,3)12-4-8-14(9-5-12)19-16(21)20-15-10-6-13(18)7-11-15/h4-11H,1-3H3,(H2,19,20,21)	KEGG UniProtKB/SwissProt 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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair