BDBM50021750 CHEMBL132934::CHEMBL3143104::Phosphoric acid mono-{3-hydroxy-5-[5-(3-methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-tetrahydro-furan-2-ylmethyl} ester

SMILES: CC1=C(C(=O)c2ccccc2C1=O)c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O

InChI Key: InChIKey=AYDMSLLRSYVYSO-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 = 50021750   

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)	BDBM50021750 (CHEMBL3143104 | Phosphoric acid mono-{3-hydroxy-5-...) Show SMILES CC1=C(C(=O)c2ccccc2C1=O)c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r,t:1| Show InChI InChI=1S/C20H19N2O10P/c1-9-16(18(25)11-5-3-2-4-10(11)17(9)24)12-7-22(20(27)21-19(12)26)15-6-13(23)14(32-15)8-31-33(28,29)30/h2-5,7,13-15,23H,6,8H2,1H3,(H,21,26,27)(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	610	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
Thymidylate synthase (Mus musculus)	BDBM50021750 (CHEMBL3143104 | Phosphoric acid mono-{3-hydroxy-5-...) Show SMILES CC1=C(C(=O)c2ccccc2C1=O)c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r,t:1| Show InChI InChI=1S/C20H19N2O10P/c1-9-16(18(25)11-5-3-2-4-10(11)17(9)24)12-7-22(20(27)21-19(12)26)15-6-13(23)14(32-15)8-31-33(28,29)30/h2-5,7,13-15,23H,6,8H2,1H3,(H,21,26,27)(H2,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+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 murine leukemia L1210 cells 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