BDBM50319582 4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]-N-methylbutan-1-amine::CHEMBL1085831

SMILES: CNCCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O

InChI Key: InChIKey=YFXILLLEWBTOSN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50319582   

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-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50319582 (4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...) Show SMILES CNCCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O Show InChI InChI=1S/C17H20FN3O2S/c1-19-12-6-7-13-20-16-10-4-5-11-17(16)21(24(20,22)23)15-9-3-2-8-14(15)18/h2-5,8-11,19H,6-7,12-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells				J Med Chem 53: 4511-21 (2010) Article DOI: 10.1021/jm100053t BindingDB Entry DOI: 10.7270/Q2PC32JR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50319582 (4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...) Show SMILES CNCCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O Show InChI InChI=1S/C17H20FN3O2S/c1-19-12-6-7-13-20-16-10-4-5-11-17(16)21(24(20,22)23)15-9-3-2-8-14(15)18/h2-5,8-11,19H,6-7,12-13H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of SERT-mediated serotonin uptake in human JAR cells				J Med Chem 53: 4511-21 (2010) Article DOI: 10.1021/jm100053t BindingDB Entry DOI: 10.7270/Q2PC32JR
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50319582 (4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...) Show SMILES CNCCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O Show InChI InChI=1S/C17H20FN3O2S/c1-19-12-6-7-13-20-16-10-4-5-11-17(16)21(24(20,22)23)15-9-3-2-8-14(15)18/h2-5,8-11,19H,6-7,12-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human NET-mediated norepinephrine uptake in MDCK-Net6 cells				J Med Chem 53: 4511-21 (2010) Article DOI: 10.1021/jm100053t BindingDB Entry DOI: 10.7270/Q2PC32JR
					More data for this Ligand-Target Pair