Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50216241'   

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))	BDBM50216241 ((6S,10bR)-6-(4-(1H-imidazol-1-yl)phenyl)-9-(3-morp...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccc(cc1)-n1ccnc1)CN1CCOCC1 Show InChI InChI=1S/C28H34N4O2/c1-3-28-26-19-24(34-16-2-11-30-14-17-33-18-15-30)8-9-25(26)27(20-31(28)12-1)22-4-6-23(7-5-22)32-13-10-29-21-32/h4-10,13,19,21,27-28H,1-3,11-12,14-18,20H2/t27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 4374-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.043 BindingDB Entry DOI: 10.7270/Q22Z157G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50216241 ((6S,10bR)-6-(4-(1H-imidazol-1-yl)phenyl)-9-(3-morp...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccc(cc1)-n1ccnc1)CN1CCOCC1 Show InChI InChI=1S/C28H34N4O2/c1-3-28-26-19-24(34-16-2-11-30-14-17-33-18-15-30)8-9-25(26)27(20-31(28)12-1)22-4-6-23(7-5-22)32-13-10-29-21-32/h4-10,13,19,21,27-28H,1-3,11-12,14-18,20H2/t27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human SERT				Bioorg Med Chem Lett 17: 4374-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.043 BindingDB Entry DOI: 10.7270/Q22Z157G
					More data for this Ligand-Target Pair