BDBM50509117 CHEMBL4554752

SMILES: Clc1c(N\N=C2/C(=O)Nc3ccccc23)cn[nH]c1=O

InChI Key: InChIKey=KEXPJGYLYUAHBW-UHFFFAOYSA-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 = 50509117   

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))	BDBM50509117 (CHEMBL4554752) Show SMILES Clc1c(N\N=C2/C(=O)Nc3ccccc23)cn[nH]c1=O Show InChI InChI=1S/C12H8ClN5O2/c13-9-8(5-14-18-11(9)19)16-17-10-6-3-1-2-4-7(6)15-12(10)20/h1-5H,(H,15,17,20)(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+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