BDBM50021749 CHEMBL3144392::CHEMBL48230::Phosphoric acid mono-{5-[5-(3,6-dioxo-cyclohexa-1,4-dienyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-3-hydroxy-tetrahydro-furan-2-ylmethyl} ester

SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(C2=CC(=O)C=CC2=O)c(=O)[nH]c1=O

InChI Key: InChIKey=DNVOIKAHGQQSAD-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 = 50021749   

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/GAR transformylase/AICAR transformylase (Homo sapiens (Human))	BDBM50021749 (CHEMBL3144392 | Phosphoric acid mono-{5-[5-(3,6-di...) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(C2=CC(=O)C=CC2=O)c(=O)[nH]c1=O |r,c:20,t:16| Show InChI InChI=1S/C15H15N2O10P/c18-7-1-2-10(19)8(3-7)9-5-17(15(22)16-14(9)21)13-4-11(20)12(27-13)6-26-28(23,24)25/h1-3,5,11-13,20H,4,6H2,(H,16,21,22)(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against thymidylateSynthase				J Med Chem 29: 1714-20 (1986) BindingDB Entry DOI: 10.7270/Q2N878SJ
					More data for this Ligand-Target Pair
Thymidylate Synthase (TS) (Lactobacillus casei)	BDBM50021749 (CHEMBL3144392 | Phosphoric acid mono-{5-[5-(3,6-di...) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(C2=CC(=O)C=CC2=O)c(=O)[nH]c1=O |r,c:20,t:16| Show InChI InChI=1S/C15H15N2O10P/c18-7-1-2-10(19)8(3-7)9-5-17(15(22)16-14(9)21)13-4-11(20)12(27-13)6-26-28(23,24)25/h1-3,5,11-13,20H,4,6H2,(H,16,21,22)(H2,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+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