BDBM119854 US8691993, 3

SMILES: OC(=O)Cc1cc(C2CCN(CC2)S(=O)(=O)c2ccccn2)c2cc(F)ccc2c1

InChI Key: InChIKey=NCVIYDFWBYBHKO-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 = 119854   

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
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM119854 (US8691993, 3) Show SMILES OC(=O)Cc1cc(C2CCN(CC2)S(=O)(=O)c2ccccn2)c2cc(F)ccc2c1 Show InChI InChI=1S/C22H21FN2O4S/c23-18-5-4-17-11-15(13-22(26)27)12-19(20(17)14-18)16-6-9-25(10-7-16)30(28,29)21-3-1-2-8-24-21/h1-5,8,11-12,14,16H,6-7,9-10,13H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description Calcium Flux Assay Using Fluorometric Imaging Plate Reader (FLIPR). Buffer containing dye (from the FLIPR® Calcium 3 Assay Kit from Molecular D...				US Patent US8691993 (2014) BindingDB Entry DOI: 10.7270/Q2348J11
					More data for this Ligand-Target Pair