Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50020098'   

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))	BDBM50020098 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCCCCCCC(O)=O)C(O)=O Show InChI InChI=1S/C26H34N8O5/c1-34(15-17-14-29-23-21(30-17)22(27)32-26(28)33-23)18-12-10-16(11-13-18)24(37)31-19(25(38)39)8-6-4-2-3-5-7-9-20(35)36/h10-14,19H,2-9,15H2,1H3,(H,31,37)(H,35,36)(H,38,39)(H4,27,28,29,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Tested for inhibition against purified Dihydrofolate reductase from L1210 murine leukemia cells				J Med Chem 31: 1338-44 (1988) BindingDB Entry DOI: 10.7270/Q22J6CFD
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