BDBM50018471 5-(3,5-Diallyl-4-methoxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL301236

SMILES: COc1c(CC=C)cc(Cc2cnc(N)nc2N)cc1CC=C

InChI Key: InChIKey=JBPOEAXDLNNAQQ-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 = 50018471   

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 (DHFR) (Staphylococcus aureus)	BDBM50018471 (5-(3,5-Diallyl-4-methoxy-benzyl)-pyrimidine-2,4-di...) Show SMILES COc1c(CC=C)cc(Cc2cnc(N)nc2N)cc1CC=C Show InChI InChI=1S/C18H22N4O/c1-4-6-13-8-12(9-14(7-5-2)16(13)23-3)10-15-11-21-18(20)22-17(15)19/h4-5,8-9,11H,1-2,6-7,10H2,3H3,(H4,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against Staphylococcus aureus DHFR				J Med Chem 32: 1949-58 (1989) BindingDB Entry DOI: 10.7270/Q2DF6Q6G
					More data for this Ligand-Target Pair