Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50216246'   

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))	BDBM50216246 ((6S,10bR)-9-(3-morpholinopropoxy)-6-(1H-pyrazol-5-...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccn[nH]1)CN1CCOCC1 Show InChI InChI=1S/C22H30N4O2/c1-3-22-19-15-17(28-12-2-8-25-10-13-27-14-11-25)4-5-18(19)20(16-26(22)9-1)21-6-7-23-24-21/h4-7,15,20,22H,1-3,8-14,16H2,(H,23,24)/t20-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	24.3	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))	BDBM50216246 ((6S,10bR)-9-(3-morpholinopropoxy)-6-(1H-pyrazol-5-...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccn[nH]1)CN1CCOCC1 Show InChI InChI=1S/C22H30N4O2/c1-3-22-19-15-17(28-12-2-8-25-10-13-27-14-11-25)4-5-18(19)20(16-26(22)9-1)21-6-7-23-24-21/h4-7,15,20,22H,1-3,8-14,16H2,(H,23,24)/t20-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	121	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