BDBM50026305 CHEMBL322001::[4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dimethoxy-phenoxy]-acetic acid ethyl ester

SMILES: CCOC(=O)COc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC

InChI Key: InChIKey=YDMIFJZJSFJERI-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50026305   

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)	BDBM50026305 (CHEMBL322001 | [4-(2,4-Diamino-pyrimidin-5-ylmethy...) Show SMILES CCOC(=O)COc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C17H22N4O5/c1-4-25-14(22)9-26-15-12(23-2)6-10(7-13(15)24-3)5-11-8-20-17(19)21-16(11)18/h6-8H,4-5,9H2,1-3H3,(H4,18,19,20,21)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Dihydrofolate reductase of Escherichia coli				J Med Chem 28: 303-11 (1985) BindingDB Entry DOI: 10.7270/Q2J966Z0
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50026305 (CHEMBL322001 | [4-(2,4-Diamino-pyrimidin-5-ylmethy...) Show SMILES CCOC(=O)COc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C17H22N4O5/c1-4-25-14(22)9-26-15-12(23-2)6-10(7-13(15)24-3)5-11-8-20-17(19)21-16(11)18/h6-8H,4-5,9H2,1-3H3,(H4,18,19,20,21)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	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