BDBM50509108 CHEMBL4440472

SMILES: Clc1ccc(cc1)N1C(=O)\C(=N/Nc2cn[nH]c(=O)c2Cl)c2cc(Br)ccc12

InChI Key: InChIKey=OHRNXPRFYUUPKQ-JLPGSUDCSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50509108   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA Ligase I (Homo sapiens (Human))	BDBM50509108 (CHEMBL4440472) Show SMILES Clc1ccc(cc1)N1C(=O)\C(=N/Nc2cn[nH]c(=O)c2Cl)c2cc(Br)ccc12 Show InChI InChI=1S/C18H10BrCl2N5O2/c19-9-1-6-14-12(7-9)16(24-23-13-8-22-25-17(27)15(13)21)18(28)26(14)11-4-2-10(20)3-5-11/h1-8H,(H2,23,25,27)/b24-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.55E+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
					More data for this Ligand-Target Pair