Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50041935'   

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 (Lactobacillus casei)	BDBM50041935 (5,6,7,8,9,10-Hexahydro-11-thia-1,3-diaza-cycloocta...) Show SMILES Nc1nc(N)c2c3CCCCCCc3sc2n1 Show InChI InChI=1S/C12H16N4S/c13-10-9-7-5-3-1-2-4-6-8(7)17-11(9)16-12(14)15-10/h1-6H2,(H4,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Tested for inhibitory activity against dihydrofolate reductase in Beef liver				J Med Chem 36: 3103-12 (1993) BindingDB Entry DOI: 10.7270/Q23X85PX
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50041935 (5,6,7,8,9,10-Hexahydro-11-thia-1,3-diaza-cycloocta...) Show SMILES Nc1nc(N)c2c3CCCCCCc3sc2n1 Show InChI InChI=1S/C12H16N4S/c13-10-9-7-5-3-1-2-4-6-8(7)17-11(9)16-12(14)15-10/h1-6H2,(H4,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase.				J Med Chem 36: 3103-12 (1993) BindingDB Entry DOI: 10.7270/Q23X85PX
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50041935 (5,6,7,8,9,10-Hexahydro-11-thia-1,3-diaza-cycloocta...) Show SMILES Nc1nc(N)c2c3CCCCCCc3sc2n1 Show InChI InChI=1S/C12H16N4S/c13-10-9-7-5-3-1-2-4-6-8(7)17-11(9)16-12(14)15-10/h1-6H2,(H4,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase in pneumocystis carinii.				J Med Chem 36: 3103-12 (1993) BindingDB Entry DOI: 10.7270/Q23X85PX
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50041935 (5,6,7,8,9,10-Hexahydro-11-thia-1,3-diaza-cycloocta...) Show SMILES Nc1nc(N)c2c3CCCCCCc3sc2n1 Show InChI InChI=1S/C12H16N4S/c13-10-9-7-5-3-1-2-4-6-8(7)17-11(9)16-12(14)15-10/h1-6H2,(H4,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase in pneumocystis carinii.				J Med Chem 36: 3103-12 (1993) BindingDB Entry DOI: 10.7270/Q23X85PX
					More data for this Ligand-Target Pair