BDBM50107343 (4-Chloro-butyl)-methyl-phosphoramidic acid 5-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl ester 5-nitro-furan-2-ylmethyl ester::CHEMBL139442

SMILES: CN(CCCCCl)P(=O)(OCC1OC(CC1O)n1cc(F)c(=O)[nH]c1=O)OCc1ccc(o1)[N+]([O-])=O

InChI Key: InChIKey=QJSUJNHXESNBMF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50107343   

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)	BDBM50107343 ((4-Chloro-butyl)-methyl-phosphoramidic acid 5-(5-f...) Show SMILES CN(CCCCCl)P(=O)(OCC1OC(CC1O)n1cc(F)c(=O)[nH]c1=O)OCc1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C19H25ClFN4O10P/c1-23(7-3-2-6-20)36(31,32-10-12-4-5-16(34-12)25(29)30)33-11-15-14(26)8-17(35-15)24-9-13(21)18(27)22-19(24)28/h4-5,9,14-15,17,26H,2-3,6-8,10-11H2,1H3,(H,22,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Thymidylate synthase inhibition in L1210 mouse leukemia cells after 2 h treatment				J Med Chem 44: 4475-80 (2001) BindingDB Entry DOI: 10.7270/Q2HM57R4
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50107343 ((4-Chloro-butyl)-methyl-phosphoramidic acid 5-(5-f...) Show SMILES CN(CCCCCl)P(=O)(OCC1OC(CC1O)n1cc(F)c(=O)[nH]c1=O)OCc1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C19H25ClFN4O10P/c1-23(7-3-2-6-20)36(31,32-10-12-4-5-16(34-12)25(29)30)33-11-15-14(26)8-17(35-15)24-9-13(21)18(27)22-19(24)28/h4-5,9,14-15,17,26H,2-3,6-8,10-11H2,1H3,(H,22,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Thymidylate synthase inhibition in thymidine kinase deficient /TK cells after 2 h treatment				J Med Chem 44: 4475-80 (2001) BindingDB Entry DOI: 10.7270/Q2HM57R4
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50107343 ((4-Chloro-butyl)-methyl-phosphoramidic acid 5-(5-f...) Show SMILES CN(CCCCCl)P(=O)(OCC1OC(CC1O)n1cc(F)c(=O)[nH]c1=O)OCc1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C19H25ClFN4O10P/c1-23(7-3-2-6-20)36(31,32-10-12-4-5-16(34-12)25(29)30)33-11-15-14(26)8-17(35-15)24-9-13(21)18(27)22-19(24)28/h4-5,9,14-15,17,26H,2-3,6-8,10-11H2,1H3,(H,22,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Thymidylate synthase inhibition in wild type LM cells after 2 h treatment				J Med Chem 44: 4475-80 (2001) BindingDB Entry DOI: 10.7270/Q2HM57R4
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50107343 ((4-Chloro-butyl)-methyl-phosphoramidic acid 5-(5-f...) Show SMILES CN(CCCCCl)P(=O)(OCC1OC(CC1O)n1cc(F)c(=O)[nH]c1=O)OCc1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C19H25ClFN4O10P/c1-23(7-3-2-6-20)36(31,32-10-12-4-5-16(34-12)25(29)30)33-11-15-14(26)8-17(35-15)24-9-13(21)18(27)22-19(24)28/h4-5,9,14-15,17,26H,2-3,6-8,10-11H2,1H3,(H,22,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Thymidylate synthase inhibition in thymidine kinase deficient LM cells after 2 h treatment				J Med Chem 44: 4475-80 (2001) BindingDB Entry DOI: 10.7270/Q2HM57R4
					More data for this Ligand-Target Pair