Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM31787'   

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 (Homo sapiens (Human))	BDBM31787 (thieno[2,3-d]pyrimidine deriv., 2j) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)cc1 Show InChI InChI=1S/C14H12BrN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...				J Med Chem 52: 4892-902 (2009) Article DOI: 10.1021/jm900490a BindingDB Entry DOI: 10.7270/Q2CR5RPK
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM31787 (thieno[2,3-d]pyrimidine deriv., 2j) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)cc1 Show InChI InChI=1S/C14H12BrN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...				J Med Chem 52: 4892-902 (2009) Article DOI: 10.1021/jm900490a BindingDB Entry DOI: 10.7270/Q2CR5RPK
					More data for this Ligand-Target Pair