BDBM50199799 CHEMBL3971463

SMILES: [O-][S+](CCN1CCN(Cc2ccc(Cl)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=VGYSKQPEUIOAJB-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 = 50199799   

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))	BDBM50199799 (CHEMBL3971463) Show SMILES [O-][S+](CCN1CCN(Cc2ccc(Cl)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C26H27ClF2N2OS/c27-23-7-1-20(2-8-23)19-31-15-13-30(14-16-31)17-18-33(32)26(21-3-9-24(28)10-4-21)22-5-11-25(29)12-6-22/h1-12,26H,13-19H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	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))	BDBM50199799 (CHEMBL3971463) Show SMILES [O-][S+](CCN1CCN(Cc2ccc(Cl)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C26H27ClF2N2OS/c27-23-7-1-20(2-8-23)19-31-15-13-30(14-16-31)17-18-33(32)26(21-3-9-24(28)10-4-21)22-5-11-25(29)12-6-22/h1-12,26H,13-19H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.94E+3	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