BDBM50110787 2-(2-{[(2-Fluoro-ethyl)-methyl-amino]-methyl}-phenylsulfanyl)-5-iodo-phenylamine::CHEMBL22643

SMILES: CN(CCF)Cc1ccccc1Sc1ccc(I)cc1N

InChI Key: InChIKey=GJOZXTQPKPBRAE-UHFFFAOYSA-N

Data: 3 KI

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 = 50110787   

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 (Rattus norvegicus (rat))	BDBM50110787 (2-(2-{[(2-Fluoro-ethyl)-methyl-amino]-methyl}-phen...) Show SMILES CN(CCF)Cc1ccccc1Sc1ccc(I)cc1N Show InChI InChI=1S/C16H18FIN2S/c1-20(9-8-17)11-12-4-2-3-5-15(12)21-16-7-6-13(18)10-14(16)19/h2-7,10H,8-9,11,19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane				J Med Chem 45: 1253-8 (2002) BindingDB Entry DOI: 10.7270/Q2TH8M15
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50110787 (2-(2-{[(2-Fluoro-ethyl)-methyl-amino]-methyl}-phen...) Show SMILES CN(CCF)Cc1ccccc1Sc1ccc(I)cc1N Show InChI InChI=1S/C16H18FIN2S/c1-20(9-8-17)11-12-4-2-3-5-15(12)21-16-7-6-13(18)10-14(16)19/h2-7,10H,8-9,11,19H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]-nisoxatine binding to norepinephrine transporter (NET) of rat cortical homogenates				J Med Chem 45: 1253-8 (2002) BindingDB Entry DOI: 10.7270/Q2TH8M15
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50110787 (2-(2-{[(2-Fluoro-ethyl)-methyl-amino]-methyl}-phen...) Show SMILES CN(CCF)Cc1ccccc1Sc1ccc(I)cc1N Show InChI InChI=1S/C16H18FIN2S/c1-20(9-8-17)11-12-4-2-3-5-15(12)21-16-7-6-13(18)10-14(16)19/h2-7,10H,8-9,11,19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]-GBR-12,935 binding to dopamine transporter (DAT) of rat striatal membranes				J Med Chem 45: 1253-8 (2002) BindingDB Entry DOI: 10.7270/Q2TH8M15
					More data for this Ligand-Target Pair