BDBM82172 MV1557

SMILES: O=C(NN=C1C(=O)Nc2ccccc12)c1cccs1

InChI Key: InChIKey=DRDQAVPREDVABO-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 = 82172   

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))	BDBM82172 (MV1557) Show SMILES O=C(NN=C1C(=O)Nc2ccccc12)c1cccs1 |w:3.2| Show InChI InChI=1S/C13H9N3O2S/c17-12(10-6-3-7-19-10)16-15-11-8-4-1-2-5-9(8)14-13(11)18/h1-7H,(H,16,17)(H,14,15,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+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