BDBM50203042 CHEMBL3923820

SMILES: [Br-].CCOC(=O)C[n+]1ccc2c3c(nc4ccccc24)-c2ccccc2-c13

InChI Key: InChIKey=LVRFOOBQULTHCF-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 = 50203042   

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 topoisomerase I (Topo I) (Homo sapiens (Human))	BDBM50203042 (CHEMBL3923820) Show SMILES [Br-].CCOC(=O)C[n+]1ccc2c3c(nc4ccccc24)-c2ccccc2-c13 Show InChI InChI=1S/C22H17N2O2/c1-2-26-19(25)13-24-12-11-15-14-7-5-6-10-18(14)23-21-16-8-3-4-9-17(16)22(24)20(15)21/h3-12H,2,13H2,1H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis				Bioorg Med Chem 24: 6119-6130 (2016) Article DOI: 10.1016/j.bmc.2016.02.028 BindingDB Entry DOI: 10.7270/Q2BG2QZJ
					More data for this Ligand-Target Pair