null

SMILES: CCc1nc(N)nc(N)c1C#CC(C)c1ccc(nc1)-c1ccccc1

InChI Key: InChIKey=JKSKINFMKRSXHC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50007903   

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))	BDBM50007903 (CHEMBL3234322) Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1ccc(nc1)-c1ccccc1 Show InChI InChI=1S/C21H21N5/c1-3-18-17(20(22)26-21(23)25-18)11-9-14(2)16-10-12-19(24-13-16)15-7-5-4-6-8-15/h4-8,10,12-14H,3H2,1-2H3,(H4,22,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	688	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of human DHFR using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition in presence of NADPH				J Med Chem 57: 2643-56 (2014) Article DOI: 10.1021/jm401916j BindingDB Entry DOI: 10.7270/Q26D5VJ1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Candida albicans)	BDBM50007903 (CHEMBL3234322) Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1ccc(nc1)-c1ccccc1 Show InChI InChI=1S/C21H21N5/c1-3-18-17(20(22)26-21(23)25-18)11-9-14(2)16-10-12-19(24-13-16)15-7-5-4-6-8-15/h4-8,10,12-14H,3H2,1-2H3,(H4,22,23,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of Candida albicans DHFR using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition in presence of NADPH				J Med Chem 57: 2643-56 (2014) Article DOI: 10.1021/jm401916j BindingDB Entry DOI: 10.7270/Q26D5VJ1
					More data for this Ligand-Target Pair