Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50015702'   

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 (Homo sapiens (Human))	BDBM50015702 (4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethy...) Show SMILES NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(N)[nH]c(=O)c2c1 Show InChI InChI=1S/C19H17N5O2/c1-2-9-24(14-6-4-13(5-7-14)17(20)25)11-12-3-8-16-15(10-12)18(26)23-19(21)22-16/h1,3-8,10H,9,11H2,(H2,20,25)(H3,21,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Tested for 50% inhibition of WI-L2 Dihydrofolate reductase				J Med Chem 33: 2045-51 (1990) BindingDB Entry DOI: 10.7270/Q26Q1XVG
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