BDBM50474063 CHEMBL41390

SMILES: COc1cccc(c1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1cccc(Br)c1

InChI Key: InChIKey=ZVXTZYNQLSAYCQ-JXMROGBWSA-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 = 50474063   

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))	BDBM50474063 (CHEMBL41390) Show SMILES COc1cccc(c1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1cccc(Br)c1 Show InChI InChI=1S/C29H33BrN2O2/c1-33-28-14-6-12-26(23-28)29(25-11-5-13-27(30)22-25)34-21-20-32-18-16-31(17-19-32)15-7-10-24-8-3-2-4-9-24/h2-14,22-23,29H,15-21H2,1H3/b10-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	741	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))	BDBM50474063 (CHEMBL41390) Show SMILES COc1cccc(c1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1cccc(Br)c1 Show InChI InChI=1S/C29H33BrN2O2/c1-33-28-14-6-12-26(23-28)29(25-11-5-13-27(30)22-25)34-21-20-32-18-16-31(17-19-32)15-7-10-24-8-3-2-4-9-24/h2-14,22-23,29H,15-21H2,1H3/b10-7+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	132	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