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SMILES: CCOc1ccc2nc(N)nc(N)c2c1Sc1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=RFTIUPXCCSMUID-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50407509   

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))	BDBM50407509 (CHEMBL420721) Show SMILES CCOc1ccc2nc(N)nc(N)c2c1Sc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H24N4OS/c1-5-25-15-11-10-14-16(18(21)24-19(22)23-14)17(15)26-13-8-6-12(7-9-13)20(2,3)4/h6-11H,5H2,1-4H3,(H4,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	820	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)	BDBM50407509 (CHEMBL420721) Show SMILES CCOc1ccc2nc(N)nc(N)c2c1Sc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H24N4OS/c1-5-25-15-11-10-14-16(18(21)24-19(22)23-14)17(15)26-13-8-6-12(7-9-13)20(2,3)4/h6-11H,5H2,1-4H3,(H4,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	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