null

SMILES: COc1cc(COc2cnc(N)nc2N)ccc1OCCCNS(=O)(=O)c1ccc(C)cc1

InChI Key: InChIKey=HLQVBNCZKIUIKS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50391248   

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 (Candida albicans)	BDBM50391248 (CHEMBL367220) Show SMILES COc1cc(COc2cnc(N)nc2N)ccc1OCCCNS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C22H27N5O5S/c1-15-4-7-17(8-5-15)33(28,29)26-10-3-11-31-18-9-6-16(12-19(18)30-2)14-32-20-13-25-22(24)27-21(20)23/h4-9,12-13,26H,3,10-11,14H2,1-2H3,(H4,23,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	976	n/a	n/a	n/a	n/a	n/a	n/a
Leibniz Center for Medicine and Biosciences Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Mycobacterium lufu				J Med Chem 47: 240-53 (2003) Article DOI: 10.1021/jm030931w BindingDB Entry DOI: 10.7270/Q2DB831H
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Candida albicans)	BDBM50391248 (CHEMBL367220) Show SMILES COc1cc(COc2cnc(N)nc2N)ccc1OCCCNS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C22H27N5O5S/c1-15-4-7-17(8-5-15)33(28,29)26-10-3-11-31-18-9-6-16(12-19(18)30-2)14-32-20-13-25-22(24)27-21(20)23/h4-9,12-13,26H,3,10-11,14H2,1-2H3,(H4,23,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	538	n/a	n/a	n/a	n/a	n/a	n/a
Leibniz Center for Medicine and Biosciences Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans				J Med Chem 47: 240-53 (2003) Article DOI: 10.1021/jm030931w BindingDB Entry DOI: 10.7270/Q2DB831H
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50391248 (CHEMBL367220) Show SMILES COc1cc(COc2cnc(N)nc2N)ccc1OCCCNS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C22H27N5O5S/c1-15-4-7-17(8-5-15)33(28,29)26-10-3-11-31-18-9-6-16(12-19(18)30-2)14-32-20-13-25-22(24)27-21(20)23/h4-9,12-13,26H,3,10-11,14H2,1-2H3,(H4,23,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leibniz Center for Medicine and Biosciences Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate reductase (DHFR) from rat				J Med Chem 47: 240-53 (2003) Article DOI: 10.1021/jm030931w BindingDB Entry DOI: 10.7270/Q2DB831H
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Candida albicans)	BDBM50391248 (CHEMBL367220) Show SMILES COc1cc(COc2cnc(N)nc2N)ccc1OCCCNS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C22H27N5O5S/c1-15-4-7-17(8-5-15)33(28,29)26-10-3-11-31-18-9-6-16(12-19(18)30-2)14-32-20-13-25-22(24)27-21(20)23/h4-9,12-13,26H,3,10-11,14H2,1-2H3,(H4,23,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Leibniz Center for Medicine and Biosciences Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli				J Med Chem 47: 240-53 (2003) Article DOI: 10.1021/jm030931w BindingDB Entry DOI: 10.7270/Q2DB831H
					More data for this Ligand-Target Pair