BDBM50474046 CHEMBL41027

SMILES: O=C(CCCCN1CCN(CCCc2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1

InChI Key: InChIKey=LWDROUBWOBOGMV-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 = 50474046   

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 (Homo sapiens (Human))	BDBM50474046 (CHEMBL41027) Show SMILES O=C(CCCCN1CCN(CCCc2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H39N3O/c35-31(34(30-18-8-3-9-19-30)27-29-15-6-2-7-16-29)20-10-11-21-32-23-25-33(26-24-32)22-12-17-28-13-4-1-5-14-28/h1-9,13-16,18-19H,10-12,17,20-27H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	58	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50474046 (CHEMBL41027) Show SMILES O=C(CCCCN1CCN(CCCc2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H39N3O/c35-31(34(30-18-8-3-9-19-30)27-29-15-6-2-7-16-29)20-10-11-21-32-23-25-33(26-24-32)22-12-17-28-13-4-1-5-14-28/h1-9,13-16,18-19H,10-12,17,20-27H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	204	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