Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA ligase 1' and Ligand = 'BDBM50509115'   

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))	BDBM50509115 (CHEMBL4556388) Show SMILES Clc1ccc2NC(=O)\C(=N/Nc3cn[nH]c(=O)c3Cl)c2c1 Show InChI InChI=1S/C12H7Cl2N5O2/c13-5-1-2-7-6(3-5)10(12(21)16-7)18-17-8-4-15-19-11(20)9(8)14/h1-4H,(H,16,18,21)(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.41E+4	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 expressed in Escherichia coli BL21 (DE3) cells using nicked DNA as substrate preincubated for 30 mins followed by su...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111657 BindingDB Entry DOI: 10.7270/Q2RN3C6C
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