BDBM50026306 6-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimethoxy-phenoxy]-hexanoic acid methyl ester::CHEMBL13796::TCMDC-137678

SMILES: COC(=O)CCCCCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC

InChI Key: InChIKey=WDGZYEUAOOPNRV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50026306   

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)	BDBM50026306 (6-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...) Show SMILES COC(=O)CCCCCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C20H28N4O5/c1-26-15-10-13(9-14-12-23-20(22)24-19(14)21)11-16(18(15)28-3)29-8-6-4-5-7-17(25)27-2/h10-12H,4-9H2,1-3H3,(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	0.860	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 Inhibitor 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)	BDBM50026306 (6-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...) Show SMILES COC(=O)CCCCCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C20H28N4O5/c1-26-15-10-13(9-14-12-23-20(22)24-19(14)21)11-16(18(15)28-3)29-8-6-4-5-7-17(25)27-2/h10-12H,4-9H2,1-3H3,(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	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for E. coli Dihydrofolate reductase				J Med Chem 25: 1120-2 (1983) BindingDB Entry DOI: 10.7270/Q28G8JRF
					More data for this Ligand-Target Pair