BDBM50421677 CHEMBL369211

SMILES: CCCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC

InChI Key: InChIKey=JJYVIROBSIPCFM-UHFFFAOYSA-N

Data: 2 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 = 50421677   

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 (Rattus norvegicus (rat))	BDBM50421677 (CHEMBL369211) Show SMILES CCCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C19H28N4O3/c1-4-5-6-7-8-26-17-15(24-2)10-13(11-16(17)25-3)9-14-12-22-19(21)23-18(14)20/h10-12H,4-9H2,1-3H3,(H4,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver Dihydrofolate reductase.				J Med Chem 24: 933-41 (1982) BindingDB Entry DOI: 10.7270/Q2SF2XGF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50421677 (CHEMBL369211) Show SMILES CCCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C19H28N4O3/c1-4-5-6-7-8-26-17-15(24-2)10-13(11-16(17)25-3)9-14-12-22-19(21)23-18(14)20/h10-12H,4-9H2,1-3H3,(H4,20,21,22,23)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20	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