BDBM50330849 4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline::CHEMBL1275878

SMILES: Clc1nc2ccccc2n2c(nnc12)-c1ccccc1

InChI Key: InChIKey=VHAHGJBWPVLYCF-UHFFFAOYSA-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 = 50330849   

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))	BDBM50330849 (4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin...) Show SMILES Clc1nc2ccccc2n2c(nnc12)-c1ccccc1 Show InChI InChI=1S/C15H9ClN4/c16-13-15-19-18-14(10-6-2-1-3-7-10)20(15)12-9-5-4-8-11(12)17-13/h1-9H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Perugia Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase expressed in Escherichia coli BL21				Bioorg Med Chem 18: 7773-85 (2010) Article DOI: 10.1016/j.bmc.2010.09.065 BindingDB Entry DOI: 10.7270/Q21J9B00
					More data for this Ligand-Target Pair