Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50129590'   

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 (Rattus norvegicus (rat))	BDBM50129590 (3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...) Show SMILES OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C28H33F2N3O/c29-24-7-11-26(12-8-24)33(27-13-9-25(30)10-14-27)17-4-16-31-19-21-32(22-20-31)18-15-28(34)23-5-2-1-3-6-23/h1-3,5-14,28,34H,4,15-22H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	803	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain stem membrane				Bioorg Med Chem Lett 18: 5238-41 (2008) Article DOI: 10.1016/j.bmcl.2008.08.065 BindingDB Entry DOI: 10.7270/Q2DB82SZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50129590 (3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...) Show SMILES OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C28H33F2N3O/c29-24-7-11-26(12-8-24)33(27-13-9-25(30)10-14-27)17-4-16-31-19-21-32(22-20-31)18-15-28(34)23-5-2-1-3-6-23/h1-3,5-14,28,34H,4,15-22H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	803	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA-IRP Curated by ChEMBL					Assay Description Binding affinity against serotonin transporter by displacement of [3H]citalopram in rat brain				J Med Chem 46: 2589-98 (2003) Article DOI: 10.1021/jm030008u BindingDB Entry DOI: 10.7270/Q2H70GJN
					More data for this Ligand-Target Pair