BDBM50474034 CHEMBL440110

SMILES: COc1ccc(CN(CCCN2CCN(CCCc3ccccc3)CC2)c2ccccn2)cc1

InChI Key: InChIKey=IRFGAOJZUONKCE-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 = 50474034   

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))	BDBM50474034 (CHEMBL440110) Show SMILES COc1ccc(CN(CCCN2CCN(CCCc3ccccc3)CC2)c2ccccn2)cc1 Show InChI InChI=1S/C29H38N4O/c1-34-28-15-13-27(14-16-28)25-33(29-12-5-6-17-30-29)20-8-19-32-23-21-31(22-24-32)18-7-11-26-9-3-2-4-10-26/h2-6,9-10,12-17H,7-8,11,18-25H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	59	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))	BDBM50474034 (CHEMBL440110) Show SMILES COc1ccc(CN(CCCN2CCN(CCCc3ccccc3)CC2)c2ccccn2)cc1 Show InChI InChI=1S/C29H38N4O/c1-34-28-15-13-27(14-16-28)25-33(29-12-5-6-17-30-29)20-8-19-32-23-21-31(22-24-32)18-7-11-26-9-3-2-4-10-26/h2-6,9-10,12-17H,7-8,11,18-25H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	16	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