BDBM50236788 CHEMBL4085949

SMILES: CN1CCN(Cc2cn(c3ccc(F)cc23)S(=O)(=O)c2ccc(Br)cc2)CC1

InChI Key: InChIKey=AZTGMNJNRFRRPC-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 = 50236788   

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))	BDBM50236788 (CHEMBL4085949) Show SMILES CN1CCN(Cc2cn(c3ccc(F)cc23)S(=O)(=O)c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C20H21BrFN3O2S/c1-23-8-10-24(11-9-23)13-15-14-25(20-7-4-17(22)12-19(15)20)28(26,27)18-5-2-16(21)3-6-18/h2-7,12,14H,8-11,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	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