BDBM50426863 CHEMBL2323392

SMILES: [O-][N+](=O)c1cc(ccc1S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23)C(F)(F)F

InChI Key: InChIKey=YMPSSVSGRBKQDK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50426863   

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 (Homo sapiens (Human))	BDBM50426863 (CHEMBL2323392) Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23)C(F)(F)F Show InChI InChI=1S/C19H9F3N2O7S/c20-19(21,22)10-4-5-15(14(7-10)24(27)28)32(29,30)23-11-6-9-2-1-3-12-16(9)13(8-11)18(26)31-17(12)25/h1-8,23H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase A				Bioorg Med Chem Lett 23: 663-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.117 BindingDB Entry DOI: 10.7270/Q27W6DHQ
					More data for this Ligand-Target Pair
Thymidylate Synthase (TS) (Escherichia coli)	BDBM50426863 (CHEMBL2323392) Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23)C(F)(F)F Show InChI InChI=1S/C19H9F3N2O7S/c20-19(21,22)10-4-5-15(14(7-10)24(27)28)32(29,30)23-11-6-9-2-1-3-12-16(9)13(8-11)18(26)31-17(12)25/h1-8,23H	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli thymidylate synthase A				Bioorg Med Chem Lett 23: 663-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.117 BindingDB Entry DOI: 10.7270/Q27W6DHQ
					More data for this Ligand-Target Pair