BDBM50250541 CHEMBL4075022

SMILES: [O-][S+](Cc1cc(Br)cs1)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=IKCLTFFWWUNISJ-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 = 50250541   

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 dopamine transporter (Homo sapiens (Human))	BDBM50250541 (CHEMBL4075022) Show SMILES [O-][S+](Cc1cc(Br)cs1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C18H15BrOS2/c19-16-11-17(21-12-16)13-22(20)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,18H,13H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...				J Med Chem 60: 9330-9348 (2017) Article DOI: 10.1021/acs.jmedchem.7b01313 BindingDB Entry DOI: 10.7270/Q26112RW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50250541 (CHEMBL4075022) Show SMILES [O-][S+](Cc1cc(Br)cs1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C18H15BrOS2/c19-16-11-17(21-12-16)13-22(20)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,18H,13H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of re-uptake of [3H]-5-HT at human SERT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured afte...				J Med Chem 60: 9330-9348 (2017) Article DOI: 10.1021/acs.jmedchem.7b01313 BindingDB Entry DOI: 10.7270/Q26112RW
					More data for this Ligand-Target Pair