Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50100250'   

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))	BDBM50100250 (2-Amino-5-[(2,4-dimethoxy-phenylamino)-methyl]-3,7...) Show SMILES COc1ccc(NCc2c[nH]c3nc(N)[nH]c(=O)c23)c(OC)c1 Show InChI InChI=1S/C15H17N5O3/c1-22-9-3-4-10(11(5-9)23-2)17-6-8-7-18-13-12(8)14(21)20-15(16)19-13/h3-5,7,17H,6H2,1-2H3,(H4,16,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+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)	BDBM50100250 (2-Amino-5-[(2,4-dimethoxy-phenylamino)-methyl]-3,7...) Show SMILES COc1ccc(NCc2c[nH]c3nc(N)[nH]c(=O)c23)c(OC)c1 Show InChI InChI=1S/C15H17N5O3/c1-22-9-3-4-10(11(5-9)23-2)17-6-8-7-18-13-12(8)14(21)20-15(16)19-13/h3-5,7,17H,6H2,1-2H3,(H4,16,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+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