BDBM50021751 CHEMBL134617::CHEMBL3143106::Phosphoric acid mono-{5-[5-(1,4-dimethoxy-3-methyl-naphthalen-2-yl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-3-hydroxy-tetrahydro-furan-2-ylmethyl} ester

SMILES: COc1c(C)c(c(OC)c2ccccc12)-c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O

InChI Key: InChIKey=GPKLMBQOEQLVIH-UHFFFAOYSA-N

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 = 50021751   

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)	BDBM50021751 (CHEMBL3143106 | Phosphoric acid mono-{5-[5-(1,4-di...) Show SMILES COc1c(C)c(c(OC)c2ccccc12)-c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r,wU:18.19,22.24,wD:20.22,(5.33,.71,;4,-.06,;4,-1.6,;2.66,-2.37,;1.33,-1.6,;2.66,-3.91,;4,-4.68,;4,-6.22,;5.33,-6.99,;5.33,-3.91,;6.66,-4.68,;8,-3.91,;8,-2.37,;6.66,-1.6,;5.33,-2.37,;1.33,-4.68,;-0,-3.91,;-1.34,-4.68,;-2.67,-3.91,;-4.08,-4.54,;-5.11,-3.39,;-6.64,-3.56,;-4.34,-2.06,;-4.96,-.65,;-6.5,-.49,;-7.12,.91,;-8.53,.29,;-5.72,1.54,;-7.75,2.32,;-2.83,-2.38,;-1.34,-6.22,;-2.67,-6.99,;-0,-6.99,;1.33,-6.22,;2.66,-6.99,)| Show InChI InChI=1S/C22H25N2O10P/c1-11-18(20(32-3)13-7-5-4-6-12(13)19(11)31-2)14-9-24(22(27)23-21(14)26)17-8-15(25)16(34-17)10-33-35(28,29)30/h4-7,9,15-17,25H,8,10H2,1-3H3,(H,23,26,27)(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the thymidylate synthase from L. casei was determined and expressed as inhibition constant(Ki)				J Med Chem 30: 409-19 (1987) BindingDB Entry DOI: 10.7270/Q2NP23DS
					More data for this Ligand-Target Pair