BDBM50322446 CHEMBL1173500::rac-[4-(4-Methanesulfonyl-phenyl)-piperazin-1-yl]-[5-methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)phenyl]-methanone

SMILES: CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)S(C)(=O)=O)S(C)(=O)=O)C(F)(F)F

InChI Key: InChIKey=YVCIMJTXGXXSJG-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50322446   

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 1 (Homo sapiens (Human))	BDBM50322446 (CHEMBL1173500 | rac-[4-(4-Methanesulfonyl-phenyl)-...) Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)S(C)(=O)=O)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C22H25F3N2O6S2/c1-15(22(23,24)25)33-20-9-8-18(35(3,31)32)14-19(20)21(28)27-12-10-26(11-13-27)16-4-6-17(7-5-16)34(2,29)30/h4-9,14-15H,10-13H2,1-3H3	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	100	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
Glycine transporter 2 (Homo sapiens (Human))	BDBM50322446 (CHEMBL1173500 | rac-[4-(4-Methanesulfonyl-phenyl)-...) Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)S(C)(=O)=O)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C22H25F3N2O6S2/c1-15(22(23,24)25)33-20-9-8-18(35(3,31)32)14-19(20)21(28)27-12-10-26(11-13-27)16-4-6-17(7-5-16)34(2,29)30/h4-9,14-15H,10-13H2,1-3H3	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