Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50073752'   

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))	BDBM50073752 ((R)-2-({5-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrid...) Show SMILES C[C@](CCC(O)=O)(NC(=O)c1ccc(CCC2CNc3nc(N)nc(N)c3C2)s1)C(O)=O Show InChI InChI=1S/C20H26N6O5S/c1-20(18(30)31,7-6-14(27)28)26-17(29)13-5-4-11(32-13)3-2-10-8-12-15(21)24-19(22)25-16(12)23-9-10/h4-5,10H,2-3,6-9H2,1H3,(H,26,29)(H,27,28)(H,30,31)(H5,21,22,23,24,25)/t10?,20-/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	0.690	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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