Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50027972'   

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 (Escherichia coli)	BDBM50027972 (7-[2-Bromo-5-(2,4-diamino-pyrimidin-5-ylmethyl)-3-...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OCCCCCCC(O)=O)c1Br Show InChI InChI=1S/C19H25BrN4O4/c1-27-14-9-12(8-13-11-23-19(22)24-18(13)21)10-15(17(14)20)28-7-5-3-2-4-6-16(25)26/h9-11H,2-8H2,1H3,(H,25,26)(H4,21,22,23,24)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uniroyal Chemical Co., Inc. Curated by ChEMBL					Assay Description Inhibition constant against binding of Escherichia coli dihydrofolate reductase				J Med Chem 31: 1396-406 (1988) BindingDB Entry DOI: 10.7270/Q2P55QQJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50027972 (7-[2-Bromo-5-(2,4-diamino-pyrimidin-5-ylmethyl)-3-...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OCCCCCCC(O)=O)c1Br Show InChI InChI=1S/C19H25BrN4O4/c1-27-14-9-12(8-13-11-23-19(22)24-18(13)21)10-15(17(14)20)28-7-5-3-2-4-6-16(25)26/h9-11H,2-8H2,1H3,(H,25,26)(H4,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant of compound against L. casei Dihydrofolate reductase				J Med Chem 27: 1672-6 (1985) BindingDB Entry DOI: 10.7270/Q2G73CQG
					More data for this Ligand-Target Pair