BDBM50368121 CHEMBL293442

SMILES: Nc1nc2ccc(CN(CC#C)c3ccc(OC(F)(F)F)cc3)cc2c(=O)[nH]1

InChI Key: InChIKey=QNILYXSRWBQADM-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 = 50368121   

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)	BDBM50368121 (CHEMBL293442) Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(OC(F)(F)F)cc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C19H15F3N4O2/c1-2-9-26(13-4-6-14(7-5-13)28-19(20,21)22)11-12-3-8-16-15(10-12)17(27)25-18(23)24-16/h1,3-8,10H,9,11H2,(H3,23,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The compound was not tested for inhibition of L1210 Thymidylate synthase due to insolubility				J Med Chem 33: 2045-51 (1990) BindingDB Entry DOI: 10.7270/Q26Q1XVG
					More data for this Ligand-Target Pair