BDBM82171 MV1554

SMILES: CCN1C(=O)c2cccc3c(NC(=O)c4cccs4)ccc1c23

InChI Key: InChIKey=RPKHRRPCQYPVPU-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 82171   

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 (Homo sapiens (Human))	BDBM82171 (MV1554) Show SMILES CCN1C(=O)c2cccc3c(NC(=O)c4cccs4)ccc1c23 Show InChI InChI=1S/C18H14N2O2S/c1-2-20-14-9-8-13(19-17(21)15-7-4-10-23-15)11-5-3-6-12(16(11)14)18(20)22/h3-10H,2H2,1H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	7.5	4
University of Washington					Assay Description A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin...				Chem Biol Drug Des 76: 218-33 (2010) Article DOI: 10.1111/j.1747-0285.2010.01010.x BindingDB Entry DOI: 10.7270/Q2ZP44MF
					More data for this Ligand-Target Pair