Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50118602'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50118602 (4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(naphtha...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cccc3ccccc23)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H31F2NO/c32-28-12-8-25(9-13-28)31(26-10-14-29(33)15-11-26)35-21-18-23-16-19-34(20-17-23)22-27-6-3-5-24-4-1-2-7-30(24)27/h1-15,23,31H,16-22H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter (SERT) using [125I]-RTI-55				J Med Chem 45: 4371-4 (2002) BindingDB Entry DOI: 10.7270/Q2RF5TCP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50118602 (4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(naphtha...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cccc3ccccc23)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H31F2NO/c32-28-12-8-25(9-13-28)31(26-10-14-29(33)15-11-26)35-21-18-23-16-19-34(20-17-23)22-27-6-3-5-24-4-1-2-7-30(24)27/h1-15,23,31H,16-22H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Heights Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from SERT in rat brain synaptosomes				Bioorg Med Chem 15: 1146-59 (2006) Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50118602 (4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(naphtha...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cccc3ccccc23)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H31F2NO/c32-28-12-8-25(9-13-28)31(26-10-14-29(33)15-11-26)35-21-18-23-16-19-34(20-17-23)22-27-6-3-5-24-4-1-2-7-30(24)27/h1-15,23,31H,16-22H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Affinity at rat serotonin transporter using [125I]-RTI-55 displacement.				J Med Chem 46: 1465-9 (2003) Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D
					More data for this Ligand-Target Pair