Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50073754'   

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))	BDBM50073754 ((R)-2-{4-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrido...) Show SMILES C[C@](CCC(O)=O)(NC(=O)c1ccc(CCC2CNc3nc(N)nc(N)c3C2)cc1)C(O)=O Show InChI InChI=1S/C22H28N6O5/c1-22(20(32)33,9-8-16(29)30)28-19(31)14-6-4-12(5-7-14)2-3-13-10-15-17(23)26-21(24)27-18(15)25-11-13/h4-7,13H,2-3,8-11H2,1H3,(H,28,31)(H,29,30)(H,32,33)(H5,23,24,25,26,27)/t13?,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human dihydrofolate reductase (DHFR)				Bioorg Med Chem Lett 9: 75-8 (1999) BindingDB Entry DOI: 10.7270/Q2SX6CCT
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