BDBM50408127 CHEMBL264609

SMILES: CN([C@@H](CCC(O)=O)C(O)=O)C(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1F)N(CC#C)Cc1ccc2nc(C)[nH]c(=O)c2c1

InChI Key: InChIKey=KDNSAZCZKUEOJD-DQEYMECFSA-N

Data: 1 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 1 hit for monomerid = 50408127   

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)	BDBM50408127 (CHEMBL264609) Show SMILES CN([C@@H](CCC(O)=O)C(O)=O)C(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1F)N(CC#C)Cc1ccc2nc(C)[nH]c(=O)c2c1 Show InChI InChI=1S/C31H32FN5O9/c1-4-13-37(16-18-5-8-23-21(14-18)29(43)34-17(2)33-23)19-6-7-20(22(32)15-19)28(42)35-24(9-11-26(38)39)30(44)36(3)25(31(45)46)10-12-27(40)41/h1,5-8,14-15,24-25H,9-13,16H2,2-3H3,(H,35,42)(H,38,39)(H,40,41)(H,45,46)(H,33,34,43)/t24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Thymidylate Synthase(TS) from mouse L1210 cells				J Med Chem 40: 1495-510 (1997) Article DOI: 10.1021/jm960878u BindingDB Entry DOI: 10.7270/Q2862HP3
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