BDBM50421670 CHEMBL173641

SMILES: COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=YAXGFQAEJUDQCN-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 = 50421670   

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
Dihydrofolate reductase (Escherichia coli)	BDBM50421670 (CHEMBL173641) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H21N5O5/c1-28-16-8-13(7-14-10-23-20(22)24-19(14)21)9-17(29-2)18(16)30-11-12-3-5-15(6-4-12)25(26)27/h3-6,8-10H,7,11H2,1-2H3,(H4,21,22,23,24)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase of Escherichia coli				J Med Chem 24: 933-41 (1982) BindingDB Entry DOI: 10.7270/Q2SF2XGF
					More data for this Ligand-Target Pair