BDBM50250538 CHEMBL4103476

SMILES: [O-][S+](Cc1nc(no1)C(F)(F)F)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=JGLPDUKBODWHIN-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 = 50250538   

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 serotonin transporter (Homo sapiens (Human))	BDBM50250538 (CHEMBL4103476) Show SMILES [O-][S+](Cc1nc(no1)C(F)(F)F)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H13F3N2O2S/c18-17(19,20)16-21-14(24-22-16)11-25(23)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+5	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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50250538 (CHEMBL4103476) Show SMILES [O-][S+](Cc1nc(no1)C(F)(F)F)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H13F3N2O2S/c18-17(19,20)16-21-14(24-22-16)11-25(23)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+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]MPP+ at human NET expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured after ...				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 dopamine transporter (Homo sapiens (Human))	BDBM50250538 (CHEMBL4103476) Show SMILES [O-][S+](Cc1nc(no1)C(F)(F)F)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H13F3N2O2S/c18-17(19,20)16-21-14(24-22-16)11-25(23)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.37E+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