BDBM50236831 CHEMBL4077537

SMILES: Cl.Cl.Brc1ccccc1S(=O)(=O)n1cc(CN2CCNCC2)c2ccccc12

InChI Key: InChIKey=ZKNJWUNKULTZLZ-UHFFFAOYSA-N

Data: 1 KI

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 = 50236831   

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
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50236831 (CHEMBL4077537) Show SMILES Cl.Cl.Brc1ccccc1S(=O)(=O)n1cc(CN2CCNCC2)c2ccccc12 Show InChI InChI=1S/C19H20BrN3O2S/c20-17-6-2-4-8-19(17)26(24,25)23-14-15(13-22-11-9-21-10-12-22)16-5-1-3-7-18(16)23/h1-8,14,21H,9-13H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd Curated by ChEMBL					Assay Description Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)				J Med Chem 60: 1843-1859 (2017) Article DOI: 10.1021/acs.jmedchem.6b01662 BindingDB Entry DOI: 10.7270/Q27S7R1X
					More data for this Ligand-Target Pair