BDBM50351762 CHEMBL1823494

SMILES: O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(-c2ccc(F)cc2)c(=O)[nH]c1=O

InChI Key: InChIKey=LKLITVJJIOINHG-YNEHKIRRSA-L

Data: 2 IC50

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 = 50351762   

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 (Mycobacterium tuberculosis)	BDBM50351762 (CHEMBL1823494) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(-c2ccc(F)cc2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C15H16FN2O8P/c16-9-3-1-8(2-4-9)10-6-18(15(21)17-14(10)20)13-5-11(19)12(26-13)7-25-27(22,23)24/h1-4,6,11-13,19H,5,7H2,(H,17,20,21)(H2,22,23,24)/p-2/t11-,12+,13+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis His-tagged ThyA-mediated dTMP synthesis expressed in BL21 (DE3) Escherichia coli RbCl cells after 30 mins by...				J Med Chem 54: 4847-62 (2011) Article DOI: 10.1021/jm2004688 BindingDB Entry DOI: 10.7270/Q24J0FG1
					More data for this Ligand-Target Pair
Thymidylate synthase thyX (Mycobacterium tuberculosis)	BDBM50351762 (CHEMBL1823494) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(-c2ccc(F)cc2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C15H16FN2O8P/c16-9-3-1-8(2-4-9)10-6-18(15(21)17-14(10)20)13-5-11(19)12(26-13)7-25-27(22,23)24/h1-4,6,11-13,19H,5,7H2,(H,17,20,21)(H2,22,23,24)/p-2/t11-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis ThyX-mediated dTMP synthesis using [5-3H]dUMP as substrate after 10 mins by liquid scintillation counting				J Med Chem 54: 4847-62 (2011) Article DOI: 10.1021/jm2004688 BindingDB Entry DOI: 10.7270/Q24J0FG1
					More data for this Ligand-Target Pair