Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 442.4 BDBM50367327

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

Found 1 hit 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
Chitin synthase 1 (Candida albicans)	BDBM50367327 (CHEMBL1791441) Show SMILES CCCNC(CC(C)C)C(=O)NC([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C19H30N4O8/c1-4-6-20-10(8-9(2)3)16(27)22-12(18(28)29)15-13(25)14(26)17(31-15)23-7-5-11(24)21-19(23)30/h5,7,9-10,12-15,17,20,25-26H,4,6,8H2,1-3H3,(H,22,27)(H,28,29)(H,21,24,30)/t10?,12?,13-,14+,15+,17+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.45E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against chitin synthetase				J Med Chem 29: 802-9 (1986) BindingDB Entry DOI: 10.7270/Q2N01734
					More data for this Ligand-Target Pair