Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50216254'   

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))	BDBM50216254 ((6S,10bR)-6-(4-(1H-pyrazol-1-yl)phenyl)-9-(3-morph...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccc(cc1)-n1cccn1)CN1CCOCC1 Show InChI InChI=1S/C28H34N4O2/c1-4-28-26-20-24(34-17-3-12-30-15-18-33-19-16-30)9-10-25(26)27(21-31(28)13-1)22-5-7-23(8-6-22)32-14-2-11-29-32/h2,5-11,14,20,27-28H,1,3-4,12-13,15-19,21H2/t27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	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))	BDBM50216254 ((6S,10bR)-6-(4-(1H-pyrazol-1-yl)phenyl)-9-(3-morph...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccc(cc1)-n1cccn1)CN1CCOCC1 Show InChI InChI=1S/C28H34N4O2/c1-4-28-26-20-24(34-17-3-12-30-15-18-33-19-16-30)9-10-25(26)27(21-31(28)13-1)22-5-7-23(8-6-22)32-14-2-11-29-32/h2,5-11,14,20,27-28H,1,3-4,12-13,15-19,21H2/t27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.3	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 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