Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50020105'   

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))	BDBM50020105 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCCCCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C23H28N8O5/c24-19-18-20(31-23(25)30-19)27-12-15(28-18)11-26-14-9-7-13(8-10-14)21(34)29-16(22(35)36)5-3-1-2-4-6-17(32)33/h7-10,12,16,26H,1-6,11H2,(H,29,34)(H,32,33)(H,35,36)(H4,24,25,27,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	540	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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