BDBM394392 1-[5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine::US10308605, Example 166

SMILES: CNCc1cc(-c2ccccc2F)n(c1)S(=O)(=O)c1cccnc1

InChI Key: InChIKey=BFDBKMOZYNOTPK-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 394392   

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
Potassium-transporting ATPase alpha chain 1 (Sus scrofa (Pig))	BDBM394392 (1-[5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-...) Show SMILES CNCc1cc(-c2ccccc2F)n(c1)S(=O)(=O)c1cccnc1 Show InChI InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...				J Med Chem 52: 2188-91 (2009) BindingDB Entry DOI: 10.7270/Q2FF3VPK
					More data for this Ligand-Target Pair				3D Structure (crystal)