Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50405972'   

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 (Escherichia coli)	BDBM50405972 (CHEMBL56468) Show SMILES CCCOc1cc(Cc2cnc(N)nc2N)cc(OCCC)c1 Show InChI InChI=1S/C17H24N4O2/c1-3-5-22-14-8-12(9-15(10-14)23-6-4-2)7-13-11-20-17(19)21-16(13)18/h8-11H,3-7H2,1-2H3,(H4,18,19,20,21)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Medical University Curated by ChEMBL					Assay Description Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase				J Med Chem 31: 366-70 (1988) BindingDB Entry DOI: 10.7270/Q2BV7JTC
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Salmonella enterica subsp. enterica serovar Typhi)	BDBM50405972 (CHEMBL56468) Show SMILES CCCOc1cc(Cc2cnc(N)nc2N)cc(OCCC)c1 Show InChI InChI=1S/C17H24N4O2/c1-3-5-22-14-8-12(9-15(10-14)23-6-4-2)7-13-11-20-17(19)21-16(13)18/h8-11H,3-7H2,1-2H3,(H4,18,19,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli dihydrofolate reductase				J Med Chem 34: 46-54 (1991) BindingDB Entry DOI: 10.7270/Q2X92CH4
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50405972 (CHEMBL56468) Show SMILES CCCOc1cc(Cc2cnc(N)nc2N)cc(OCCC)c1 Show InChI InChI=1S/C17H24N4O2/c1-3-5-22-14-8-12(9-15(10-14)23-6-4-2)7-13-11-20-17(19)21-16(13)18/h8-11H,3-7H2,1-2H3,(H4,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	646	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibitory activity against Lactobacillus casei dihydrofolate reductase				J Med Chem 32: 1895-905 (1989) BindingDB Entry DOI: 10.7270/Q2QR4ZB9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50405972 (CHEMBL56468) Show SMILES CCCOc1cc(Cc2cnc(N)nc2N)cc(OCCC)c1 Show InChI InChI=1S/C17H24N4O2/c1-3-5-22-14-8-12(9-15(10-14)23-6-4-2)7-13-11-20-17(19)21-16(13)18/h8-11H,3-7H2,1-2H3,(H4,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.41E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibitory activity against chicken liver dihydrofolate reductase				J Med Chem 32: 1895-905 (1989) BindingDB Entry DOI: 10.7270/Q2QR4ZB9
					More data for this Ligand-Target Pair