Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50023890'   

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))	BDBM50023890 (4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-2-{4-[(2,4-diam...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)Nc1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C27H27N9O6/c1-36(12-16-11-30-24-22(32-16)23(28)34-27(29)35-24)17-5-2-14(3-6-17)25(38)33-18(26(39)40)7-9-21(37)31-15-4-8-19-20(10-15)42-13-41-19/h2-6,8,10-11,18H,7,9,12-13H2,1H3,(H,31,37)(H,33,38)(H,39,40)(H4,28,29,30,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory concentration to inhibit the enzyme Dihydro Folate Reductase (DHFR) from murine L1210 leukemia cells.				J Med Chem 29: 1703-9 (1986) BindingDB Entry DOI: 10.7270/Q2PR7WJ0
					More data for this Ligand-Target Pair