Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 209.2 BDBM50536771Purchase

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

Found 2 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
Dihydroorotase (Bacillus anthracis (Firmicute))	BDBM50536771 (CHEMBL1518262) Show SMILES CCC(=O)Nc1cc(OC)cc(OC)c1 Show InChI InChI=1S/C11H15NO3/c1-4-11(13)12-8-5-9(14-2)7-10(6-8)15-3/h5-7H,4H2,1-3H3,(H,12,13)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.81E+5	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells in presence of N-carbamyl-L-aspart...				Bioorg Med Chem 24: 4536-4543 (2016) Article DOI: 10.1016/j.bmc.2016.07.055 BindingDB Entry DOI: 10.7270/Q28G8Q6B
					More data for this Ligand-Target Pair
Dihydroorotase (Bacillus anthracis (Firmicute))	BDBM50536771 (CHEMBL1518262) Show SMILES CCC(=O)Nc1cc(OC)cc(OC)c1 Show InChI InChI=1S/C11H15NO3/c1-4-11(13)12-8-5-9(14-2)7-10(6-8)15-3/h5-7H,4H2,1-3H3,(H,12,13)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.57E+5	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells by surface plasmon resonance analy...				Bioorg Med Chem 24: 4536-4543 (2016) Article DOI: 10.1016/j.bmc.2016.07.055 BindingDB Entry DOI: 10.7270/Q28G8Q6B
					More data for this Ligand-Target Pair