BDBM50474058 CHEMBL43524

SMILES: COc1ccc(cc1)N(CCN1CCN(C\C=C\c2ccccc2)CC1)Cc1ccccc1

InChI Key: InChIKey=BBGVXIKGGVJPNA-MDWZMJQESA-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 = 50474058   

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))	BDBM50474058 (CHEMBL43524) Show SMILES COc1ccc(cc1)N(CCN1CCN(C\C=C\c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H35N3O/c1-33-29-16-14-28(15-17-29)32(25-27-11-6-3-7-12-27)24-23-31-21-19-30(20-22-31)18-8-13-26-9-4-2-5-10-26/h2-17H,18-25H2,1H3/b13-8+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	282	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))	BDBM50474058 (CHEMBL43524) Show SMILES COc1ccc(cc1)N(CCN1CCN(C\C=C\c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H35N3O/c1-33-29-16-14-28(15-17-29)32(25-27-11-6-3-7-12-27)24-23-31-21-19-30(20-22-31)18-8-13-26-9-4-2-5-10-26/h2-17H,18-25H2,1H3/b13-8+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.32E+3	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