BDBM50237990 CHEMBL4069051

SMILES: COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(C#N)c(F)c1

InChI Key: InChIKey=VCWUUDSAJRXLBJ-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 = 50237990   

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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237990 (CHEMBL4069051) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(C#N)c(F)c1 |(11.87,-30.75,;10.54,-31.53,;10.55,-33.07,;11.89,-33.83,;11.9,-35.38,;10.57,-36.15,;10.57,-37.7,;9.23,-35.39,;9.23,-33.85,;7.89,-33.09,;7.88,-31.54,;9.21,-30.77,;9.2,-29.24,;7.87,-28.47,;6.55,-29.24,;6.55,-30.77,;5.22,-31.54,;5.22,-33.09,;6.55,-33.86,;6.55,-35.4,;7.85,-26.93,;6.36,-26.52,;7.46,-25.43,;9.19,-26.15,;9.18,-24.61,;7.93,-23.72,;8.4,-22.25,;9.94,-22.24,;10.42,-23.7,;13.24,-36.14,;13.24,-37.69,;14.58,-38.45,;15.91,-37.67,;17.25,-38.43,;18.59,-39.19,;15.9,-36.12,;17.23,-35.34,;14.56,-35.37,)| Show InChI InChI=1S/C26H16F2N4O5S/c1-36-24-12-19(15-2-3-17(14-29)20(27)11-15)21(28)13-23(24)32-22-6-5-18(10-16(22)4-7-26(32)33)38(34,35)31-25-8-9-37-30-25/h2-13H,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair