BDBM50322441 4-[4-(2-Benzyloxy-5-methanesulfonyl-benzoyl)-piperazin-1-yl]-3-fluoro-benzonitrile::CHEMBL1173028

SMILES: CS(=O)(=O)c1ccc(OCc2ccccc2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N

InChI Key: InChIKey=VLEUYTNYNXNRAU-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 = 50322441   

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))	BDBM50322441 (4-[4-(2-Benzyloxy-5-methanesulfonyl-benzoyl)-piper...) Show SMILES CS(=O)(=O)c1ccc(OCc2ccccc2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N Show InChI InChI=1S/C26H24FN3O4S/c1-35(32,33)21-8-10-25(34-18-19-5-3-2-4-6-19)22(16-21)26(31)30-13-11-29(12-14-30)24-9-7-20(17-28)15-23(24)27/h2-10,15-16H,11-14,18H2,1H3	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	1.61E+3	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))	BDBM50322441 (4-[4-(2-Benzyloxy-5-methanesulfonyl-benzoyl)-piper...) Show SMILES CS(=O)(=O)c1ccc(OCc2ccccc2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N Show InChI InChI=1S/C26H24FN3O4S/c1-35(32,33)21-8-10-25(34-18-19-5-3-2-4-6-19)22(16-21)26(31)30-13-11-29(12-14-30)24-9-7-20(17-28)15-23(24)27/h2-10,15-16H,11-14,18H2,1H3	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