BDBM50404974 5-NITRO-DUMP::CHEMBL2051758

SMILES: O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc([N+]([O-])=O)c(=O)[nH]c1=O

InChI Key: InChIKey=LVLPVLNNXRTCHP-RRKCRQDMSA-L

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50404974   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thymidylate Synthase (TS) (Lactobacillus casei)	BDBM50404974 (5-NITRO-DUMP | CHEMBL2051758) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc([N+]([O-])=O)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H12N3O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)11-2-4(12(16)17)8(14)10-9(11)15/h2,5-7,13H,1,3H2,(H,10,14,15)(H2,18,19,20)/p-2/t5-,6+,7+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inactivation of thymidylate synthetase measured asKi at 6.8 pH 30 degrees centigrade temp				J Med Chem 26: 1028-36 (1983) BindingDB Entry DOI: 10.7270/Q2VD6XG7
					More data for this Ligand-Target Pair