Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA ligase 1' and Ligand = 'BDBM50509121'   

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
DNA ligase 1 (Homo sapiens (Human))	BDBM50509121 (CHEMBL4586295) Show SMILES [Cl-].COc1ccc2c(c1)c(OC)[n+](C)c1c3cc4OCOc4cc3ccc21 Show InChI InChI=1S/C21H18NO4/c1-22-20-15(14-7-5-13(23-2)9-17(14)21(22)24-3)6-4-12-8-18-19(10-16(12)20)26-11-25-18/h4-10H,11H2,1-3H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Allahabad Curated by ChEMBL					Assay Description Inhibition of human DNA ligase 1 using 52-mer DNA/25-mer DNA/27-mer DNA as substrate by fluorescence assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111657 BindingDB Entry DOI: 10.7270/Q2RN3C6C
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