BDBM50322426 3-Fluoro-4-{4-[5-methanesulfonyl-2-(2,2,2-trifluoro-ethoxy)-benzoyl]-piperazin-1-yl}-benzonitrile::CHEMBL1172998

SMILES: CS(=O)(=O)c1ccc(OCC(F)(F)F)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N

InChI Key: InChIKey=XWUWFTNLBIWYTM-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

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 3 hits for monomerid = 50322426   

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
Glycine transporter 2 (Homo sapiens (Human))	BDBM50322426 (3-Fluoro-4-{4-[5-methanesulfonyl-2-(2,2,2-trifluor...) Show SMILES CS(=O)(=O)c1ccc(OCC(F)(F)F)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N Show InChI InChI=1S/C21H19F4N3O4S/c1-33(30,31)15-3-5-19(32-13-21(23,24)25)16(11-15)20(29)28-8-6-27(7-9-28)18-4-2-14(12-26)10-17(18)22/h2-5,10-11H,6-9,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting				J Med Chem 53: 4603-14 (2010) Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50322426 (3-Fluoro-4-{4-[5-methanesulfonyl-2-(2,2,2-trifluor...) Show SMILES CS(=O)(=O)c1ccc(OCC(F)(F)F)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N Show InChI InChI=1S/C21H19F4N3O4S/c1-33(30,31)15-3-5-19(32-13-21(23,24)25)16(11-15)20(29)28-8-6-27(7-9-28)18-4-2-14(12-26)10-17(18)22/h2-5,10-11H,6-9,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by patch clamp assay				J Med Chem 53: 4603-14 (2010) Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT
					More data for this Ligand-Target Pair
Glycine transporter 1 (Homo sapiens (Human))	BDBM50322426 (3-Fluoro-4-{4-[5-methanesulfonyl-2-(2,2,2-trifluor...) Show SMILES CS(=O)(=O)c1ccc(OCC(F)(F)F)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N Show InChI InChI=1S/C21H19F4N3O4S/c1-33(30,31)15-3-5-19(32-13-21(23,24)25)16(11-15)20(29)28-8-6-27(7-9-28)18-4-2-14(12-26)10-17(18)22/h2-5,10-11H,6-9,13H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting				J Med Chem 53: 4603-14 (2010) Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT
					More data for this Ligand-Target Pair