Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50294209'   

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))	BDBM50294209 (3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimet...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(\C=C\C(=O)N2N=Cc3ccccc3C2CCCO)c1OC |c:22| Show InChI InChI=1S/C27H30N6O4/c1-36-23-14-17(13-20-15-30-27(29)32-26(20)28)12-18(25(23)37-2)9-10-24(35)33-22(8-5-11-34)21-7-4-3-6-19(21)16-31-33/h3-4,6-7,9-10,12,14-16,22,34H,5,8,11,13H2,1-2H3,(H4,28,29,30,32)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of human recombinant DHFR				Antimicrob Agents Chemother 51: 4447-52 (2007) Article DOI: 10.1128/AAC.00628-07 BindingDB Entry DOI: 10.7270/Q25M65RK
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50294209 (3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimet...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(\C=C\C(=O)N2N=Cc3ccccc3C2CCCO)c1OC |c:22| Show InChI InChI=1S/C27H30N6O4/c1-36-23-14-17(13-20-15-30-27(29)32-26(20)28)12-18(25(23)37-2)9-10-24(35)33-22(8-5-11-34)21-7-4-3-6-19(21)16-31-33/h3-4,6-7,9-10,12,14-16,22,34H,5,8,11,13H2,1-2H3,(H4,28,29,30,32)/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of rat DHFR				Antimicrob Agents Chemother 51: 4447-52 (2007) Article DOI: 10.1128/AAC.00628-07 BindingDB Entry DOI: 10.7270/Q25M65RK
					More data for this Ligand-Target Pair