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SMILES: Nc1nc(N)c2c(Sc3ccc(OC4CCOCC4)cc3)cccc2n1

InChI Key: InChIKey=CBGLAWXOMZABBE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50407516   

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 (Homo sapiens (Human))	BDBM50407516 (CHEMBL121057) Show SMILES Nc1nc(N)c2c(Sc3ccc(OC4CCOCC4)cc3)cccc2n1 Show InChI InChI=1S/C19H20N4O2S/c20-18-17-15(22-19(21)23-18)2-1-3-16(17)26-14-6-4-12(5-7-14)25-13-8-10-24-11-9-13/h1-7,13H,8-11H2,(H4,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description In vitro inhibition of human dihydrofolate reductase				J Med Chem 38: 3608-16 (1995) BindingDB Entry DOI: 10.7270/Q2V69KS6
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Candida albicans)	BDBM50407516 (CHEMBL121057) Show SMILES Nc1nc(N)c2c(Sc3ccc(OC4CCOCC4)cc3)cccc2n1 Show InChI InChI=1S/C19H20N4O2S/c20-18-17-15(22-19(21)23-18)2-1-3-16(17)26-14-6-4-12(5-7-14)25-13-8-10-24-11-9-13/h1-7,13H,8-11H2,(H4,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase in Candida albicans (in vitro).				J Med Chem 38: 3608-16 (1995) BindingDB Entry DOI: 10.7270/Q2V69KS6
					More data for this Ligand-Target Pair