BDBM50369176 CHEMBL1791078

SMILES: COC(=O)[C@@H](NP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O)c1c[nH]c2ccccc12

InChI Key: InChIKey=RMRNKJAYTGZVHJ-HZMVEIRTSA-N

Data: 6 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 6 hits for monomerid = 50369176   

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 (Mus musculus)	BDBM50369176 (CHEMBL1791078) Show SMILES COC(=O)[C@@H](NP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C20H22FN4O9P/c1-32-19(28)17(11-7-22-13-5-3-2-4-10(11)13)24-35(30,31)33-9-15-14(26)6-16(34-15)25-8-12(21)18(27)23-20(25)29/h2-5,7-8,14-17,22,26H,6,9H2,1H3,(H,23,27,29)(H2,24,30,31)/t14-,15+,16+,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of cellular thymidylate synthase activity of murine leukemia cell line (L1210) in intact cells.				J Med Chem 39: 4569-75 (1996) Article DOI: 10.1021/jm9603680 BindingDB Entry DOI: 10.7270/Q2445N57
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50369176 (CHEMBL1791078) Show SMILES COC(=O)[C@@H](NP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C20H22FN4O9P/c1-32-19(28)17(11-7-22-13-5-3-2-4-10(11)13)24-35(30,31)33-9-15-14(26)6-16(34-15)25-8-12(21)18(27)23-20(25)29/h2-5,7-8,14-17,22,26H,6,9H2,1H3,(H,23,27,29)(H2,24,30,31)/t14-,15+,16+,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of cellular thymidylate synthase activity of murine leukemia cell line (L1210) in permeabilised cells.				J Med Chem 39: 4569-75 (1996) Article DOI: 10.1021/jm9603680 BindingDB Entry DOI: 10.7270/Q2445N57
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50369176 (CHEMBL1791078) Show SMILES COC(=O)[C@@H](NP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C20H22FN4O9P/c1-32-19(28)17(11-7-22-13-5-3-2-4-10(11)13)24-35(30,31)33-9-15-14(26)6-16(34-15)25-8-12(21)18(27)23-20(25)29/h2-5,7-8,14-17,22,26H,6,9H2,1H3,(H,23,27,29)(H2,24,30,31)/t14-,15+,16+,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of cellular thymidylate synthase activity of mouse fibroblast (L929 TK-) in intact cells.				J Med Chem 39: 4569-75 (1996) Article DOI: 10.1021/jm9603680 BindingDB Entry DOI: 10.7270/Q2445N57
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50369176 (CHEMBL1791078) Show SMILES COC(=O)[C@@H](NP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C20H22FN4O9P/c1-32-19(28)17(11-7-22-13-5-3-2-4-10(11)13)24-35(30,31)33-9-15-14(26)6-16(34-15)25-8-12(21)18(27)23-20(25)29/h2-5,7-8,14-17,22,26H,6,9H2,1H3,(H,23,27,29)(H2,24,30,31)/t14-,15+,16+,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of cellular thymidylate synthase activity of mouse fibroblast (L929 TK-) in permeabilised cells				J Med Chem 39: 4569-75 (1996) Article DOI: 10.1021/jm9603680 BindingDB Entry DOI: 10.7270/Q2445N57
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50369176 (CHEMBL1791078) Show SMILES COC(=O)[C@@H](NP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C20H22FN4O9P/c1-32-19(28)17(11-7-22-13-5-3-2-4-10(11)13)24-35(30,31)33-9-15-14(26)6-16(34-15)25-8-12(21)18(27)23-20(25)29/h2-5,7-8,14-17,22,26H,6,9H2,1H3,(H,23,27,29)(H2,24,30,31)/t14-,15+,16+,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of cellular thymidylate synthase activity of mouse fibroblast (L929 TK-) in intact cells.				J Med Chem 39: 4569-75 (1996) Article DOI: 10.1021/jm9603680 BindingDB Entry DOI: 10.7270/Q2445N57
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50369176 (CHEMBL1791078) Show SMILES COC(=O)[C@@H](NP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C20H22FN4O9P/c1-32-19(28)17(11-7-22-13-5-3-2-4-10(11)13)24-35(30,31)33-9-15-14(26)6-16(34-15)25-8-12(21)18(27)23-20(25)29/h2-5,7-8,14-17,22,26H,6,9H2,1H3,(H,23,27,29)(H2,24,30,31)/t14-,15+,16+,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of cellular thymidylate synthase activity of mouse fibroblast (L929 TK-) in permeabilised cells.				J Med Chem 39: 4569-75 (1996) Article DOI: 10.1021/jm9603680 BindingDB Entry DOI: 10.7270/Q2445N57
					More data for this Ligand-Target Pair