BDBM50250548 CHEMBL4070266

SMILES: Oc1cc(nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)n1)C(F)(F)F

InChI Key: InChIKey=OCDFCLVIFAPPIE-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50250548   

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))	BDBM50250548 (CHEMBL4070266) Show SMILES Oc1cc(nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)n1)C(F)(F)F Show InChI InChI=1S/C19H15F3N2O2S/c20-19(21,22)15-11-17(25)24-16(23-15)12-27(26)18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,18H,12H2,(H,23,24,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.04E+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