Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50028537'   

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 (Mus musculus (Mouse))	BDBM50028537 (4-(Carboxymethyl-carbamoyl)-4-{4-[(2,4-diamino-pte...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C22H25N9O6/c1-31(10-12-8-25-19-17(27-12)18(23)29-22(24)30-19)13-4-2-11(3-5-13)20(36)28-14(6-7-15(32)33)21(37)26-9-16(34)35/h2-5,8,14H,6-7,9-10H2,1H3,(H,26,37)(H,28,36)(H,32,33)(H,34,35)(H4,23,24,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase in mouse L1210 cells				J Med Chem 25: 182-7 (1982) BindingDB Entry DOI: 10.7270/Q2KS6QJZ
					More data for this Ligand-Target Pair