Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50100256'   

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 (Rattus norvegicus (rat))	BDBM50100256 (2-Amino-5-[(3,4,5-trimethoxy-phenylamino)-methyl]-...) Show SMILES COc1cc(NCc2c[nH]c3nc(N)[nH]c(=O)c23)cc(OC)c1OC Show InChI InChI=1S/C16H19N5O4/c1-23-10-4-9(5-11(24-2)13(10)25-3)18-6-8-7-19-14-12(8)15(22)21-16(17)20-14/h4-5,7,18H,6H2,1-3H3,(H4,17,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase				J Med Chem 44: 1993-2003 (2001) BindingDB Entry DOI: 10.7270/Q2CJ8F6N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50100256 (2-Amino-5-[(3,4,5-trimethoxy-phenylamino)-methyl]-...) Show SMILES COc1cc(NCc2c[nH]c3nc(N)[nH]c(=O)c23)cc(OC)c1OC Show InChI InChI=1S/C16H19N5O4/c1-23-10-4-9(5-11(24-2)13(10)25-3)18-6-8-7-19-14-12(8)15(22)21-16(17)20-14/h4-5,7,18H,6H2,1-3H3,(H4,17,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Pneumocystis carinii dihydrofolate reductase				J Med Chem 44: 1993-2003 (2001) BindingDB Entry DOI: 10.7270/Q2CJ8F6N
					More data for this Ligand-Target Pair