BDBM50474060 CHEMBL40416

SMILES: Brc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccc(Br)cc2)cc1

InChI Key: InChIKey=DKLLAAOIWFKPBT-UHFFFAOYSA-N

Data: 2 Kd

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 = 50474060   

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))	BDBM50474060 (CHEMBL40416) Show SMILES Brc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C28H33Br2N3/c29-26-10-8-25(9-11-26)23-33(28-14-12-27(30)13-15-28)22-21-32-19-17-31(18-20-32)16-4-7-24-5-2-1-3-6-24/h1-3,5-6,8-15H,4,7,16-23H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to human SERT in clonal cells				J Med Chem 45: 1577-84 (2002) Article DOI: 10.1021/jm011007+ BindingDB Entry DOI: 10.7270/Q29026JT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50474060 (CHEMBL40416) Show SMILES Brc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C28H33Br2N3/c29-26-10-8-25(9-11-26)23-33(28-14-12-27(30)13-15-28)22-21-32-19-17-31(18-20-32)16-4-7-24-5-2-1-3-6-24/h1-3,5-6,8-15H,4,7,16-23H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	977	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of radioligand [125I]RTI-55 binding to human Dopamine transporter in clonal cells				J Med Chem 45: 1577-84 (2002) Article DOI: 10.1021/jm011007+ BindingDB Entry DOI: 10.7270/Q29026JT
					More data for this Ligand-Target Pair