BDBM50023638 CHEMBL3144194::Phosphoric acid mono-{5-[2,4-dioxo-5-(4-trifluoromethyl-phenyl)-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(-c2ccc(cc2)C(F)(F)F)c(=O)[nH]c1=O

InChI Key: InChIKey=KCWQZALHXQHMOQ-UHFFFAOYSA-L

Data: 3 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 3 hits for monomerid = 50023638   

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)	BDBM50023638 (CHEMBL3144194 | Phosphoric acid mono-{5-[2,4-dioxo...) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(-c2ccc(cc2)C(F)(F)F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C16H16F3N2O8P/c17-16(18,19)9-3-1-8(2-4-9)10-6-21(15(24)20-14(10)23)13-5-11(22)12(29-13)7-28-30(25,26)27/h1-4,6,11-13,22H,5,7H2,(H,20,23,24)(H2,25,26,27)/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory effect on Lactobacillus casei thymidylate synthase				J Med Chem 31: 1141-7 (1988) BindingDB Entry DOI: 10.7270/Q2ZS2X3H
					More data for this Ligand-Target Pair				3D Structure (docked)
Thymidylate synthase (Homo sapiens (Human))	BDBM50023638 (CHEMBL3144194 | Phosphoric acid mono-{5-[2,4-dioxo...) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(-c2ccc(cc2)C(F)(F)F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C16H16F3N2O8P/c17-16(18,19)9-3-1-8(2-4-9)10-6-21(15(24)20-14(10)23)13-5-11(22)12(29-13)7-28-30(25,26)27/h1-4,6,11-13,22H,5,7H2,(H,20,23,24)(H2,25,26,27)/p-2	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	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory effect on human lymphoblast (Molt/4F) thymidylate synthase				J Med Chem 31: 1141-7 (1988) BindingDB Entry DOI: 10.7270/Q2ZS2X3H
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50023638 (CHEMBL3144194 | Phosphoric acid mono-{5-[2,4-dioxo...) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(-c2ccc(cc2)C(F)(F)F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C16H16F3N2O8P/c17-16(18,19)9-3-1-8(2-4-9)10-6-21(15(24)20-14(10)23)13-5-11(22)12(29-13)7-28-30(25,26)27/h1-4,6,11-13,22H,5,7H2,(H,20,23,24)(H2,25,26,27)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.34E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory effect on murine leukemia (L1210) thymidylate synthase				J Med Chem 31: 1141-7 (1988) BindingDB Entry DOI: 10.7270/Q2ZS2X3H
					More data for this Ligand-Target Pair