BDBM82168 MV1581

SMILES: Cc1onc(c1C(=O)NCc1cccs1)-c1ccccc1

InChI Key: InChIKey=ZHFORBKBSFMFLR-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 82168   

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))	BDBM82168 (MV1581) Show SMILES Cc1onc(c1C(=O)NCc1cccs1)-c1ccccc1 Show InChI InChI=1S/C16H14N2O2S/c1-11-14(16(19)17-10-13-8-5-9-21-13)15(18-20-11)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,19)	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	>5.00E+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