Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50007821'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrofolate reductase (Candida albicans)	BDBM50007821 (CHEMBL3234119) Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1ccc(cc1OC)-c1ccc(C)cc1 Show InChI InChI=1S/C24H26N4O/c1-5-21-20(23(25)28-24(26)27-21)12-8-16(3)19-13-11-18(14-22(19)29-4)17-9-6-15(2)7-10-17/h6-7,9-11,13-14,16H,5H2,1-4H3,(H4,25,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	48	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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50007821 (CHEMBL3234119) Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1ccc(cc1OC)-c1ccc(C)cc1 Show InChI InChI=1S/C24H26N4O/c1-5-21-20(23(25)28-24(26)27-21)12-8-16(3)19-13-11-18(14-22(19)29-4)17-9-6-15(2)7-10-17/h6-7,9-11,13-14,16H,5H2,1-4H3,(H4,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	208	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