BDBM50427191 CHEMBL2324165

SMILES: CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2cccc(c2Cl)C(F)(F)F)CCCCC1

InChI Key: InChIKey=VRJAZCJBWPXQIN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50427191   

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
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50427191 (CHEMBL2324165) Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2cccc(c2Cl)C(F)(F)F)CCCCC1 Show InChI InChI=1S/C22H31ClF3N3O3S/c1-2-15-33(31,32)29-13-11-28(12-14-29)21(9-4-3-5-10-21)16-27-20(30)17-7-6-8-18(19(17)23)22(24,25)26/h6-8H,2-5,9-16H2,1H3,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of human GlyT2 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity assay				Bioorg Med Chem Lett 23: 1257-61 (2013) Article DOI: 10.1016/j.bmcl.2013.01.006 BindingDB Entry DOI: 10.7270/Q2WH2RB6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50427191 (CHEMBL2324165) Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2cccc(c2Cl)C(F)(F)F)CCCCC1 Show InChI InChI=1S/C22H31ClF3N3O3S/c1-2-15-33(31,32)29-13-11-28(12-14-29)21(9-4-3-5-10-21)16-27-20(30)17-7-6-8-18(19(17)23)22(24,25)26/h6-8H,2-5,9-16H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of GlyT1a in human JAR cells assessed as inhibition of [3H]glycine uptake by scintillation proximity assay				Bioorg Med Chem Lett 23: 1257-61 (2013) Article DOI: 10.1016/j.bmcl.2013.01.006 BindingDB Entry DOI: 10.7270/Q2WH2RB6
					More data for this Ligand-Target Pair