BDBM50391245 CHEMBL425506::K-220

SMILES: COc1cc(Cc2cnc(N)nc2N)ccc1OCCNc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=XQAWVWHATMFVDD-UHFFFAOYSA-N

Data: 4 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50391245   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrofolate Reductase (DHFR) (Candida albicans)	BDBM50391245 (CHEMBL425506 | K-220) Show SMILES COc1cc(Cc2cnc(N)nc2N)ccc1OCCNc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C26H28N6O4S/c1-35-24-15-17(14-18-16-31-26(29)32-25(18)28)2-11-23(24)36-13-12-30-20-5-9-22(10-6-20)37(33,34)21-7-3-19(27)4-8-21/h2-11,15-16,30H,12-14,27H2,1H3,(H4,28,29,31,32)	PDB MMDB UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	217	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 (Rattus norvegicus (rat))	BDBM50391245 (CHEMBL425506 | K-220) Show SMILES COc1cc(Cc2cnc(N)nc2N)ccc1OCCNc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C26H28N6O4S/c1-35-24-15-17(14-18-16-31-26(29)32-25(18)28)2-11-23(24)36-13-12-30-20-5-9-22(10-6-20)37(33,34)21-7-3-19(27)4-8-21/h2-11,15-16,30H,12-14,27H2,1H3,(H4,28,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.23E+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 (DHFR) (Candida albicans)	BDBM50391245 (CHEMBL425506 | K-220) Show SMILES COc1cc(Cc2cnc(N)nc2N)ccc1OCCNc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C26H28N6O4S/c1-35-24-15-17(14-18-16-31-26(29)32-25(18)28)2-11-23(24)36-13-12-30-20-5-9-22(10-6-20)37(33,34)21-7-3-19(27)4-8-21/h2-11,15-16,30H,12-14,27H2,1H3,(H4,28,29,31,32)	PDB MMDB UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	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 (DHFR) (Candida albicans)	BDBM50391245 (CHEMBL425506 | K-220) Show SMILES COc1cc(Cc2cnc(N)nc2N)ccc1OCCNc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C26H28N6O4S/c1-35-24-15-17(14-18-16-31-26(29)32-25(18)28)2-11-23(24)36-13-12-30-20-5-9-22(10-6-20)37(33,34)21-7-3-19(27)4-8-21/h2-11,15-16,30H,12-14,27H2,1H3,(H4,28,29,31,32)	PDB MMDB UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	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