BDBM50199853 CHEMBL3935199

SMILES: Fc1ccc(cc1)C(SCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1

InChI Key: InChIKey=ATOFTVWSYSKDIM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50199853   

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 (Rattus norvegicus (rat))	BDBM50199853 (CHEMBL3935199) Show SMILES Fc1ccc(cc1)C(SCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H28F2N2S/c27-24-10-6-22(7-11-24)26(23-8-12-25(28)13-9-23)31-19-18-29-14-16-30(17-15-29)20-21-4-2-1-3-5-21/h1-13,26H,14-20H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay				J Med Chem 59: 10676-10691 (2016) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50199853 (CHEMBL3935199) Show SMILES Fc1ccc(cc1)C(SCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H28F2N2S/c27-24-10-6-22(7-11-24)26(23-8-12-25(28)13-9-23)31-19-18-29-14-16-30(17-15-29)20-21-4-2-1-3-5-21/h1-13,26H,14-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	949	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain stem membranes incubated for 60 mins by radioligand binding assay				J Med Chem 59: 10676-10691 (2016) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
					More data for this Ligand-Target Pair