Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50305106'   

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))	BDBM50305106 ((+)-8-((cyclopropylmethyl)(3-(5-fluoro-1H-indol-3-...) Show SMILES Fc1ccc2[nH]cc(CCCN(CC3CC3)C3COc4ccc5CNC(=O)c5c4C3)c2c1 Show InChI InChI=1S/C26H28FN3O2/c27-19-6-7-23-21(10-19)17(12-28-23)2-1-9-30(14-16-3-4-16)20-11-22-24(32-15-20)8-5-18-13-29-26(31)25(18)22/h5-8,10,12,16,20,28H,1-4,9,11,13-15H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of labeled paroxetine from 5-HT transporter				Bioorg Med Chem Lett 20: 222-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.134 BindingDB Entry DOI: 10.7270/Q26Q1XC6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50305106 ((+)-8-((cyclopropylmethyl)(3-(5-fluoro-1H-indol-3-...) Show SMILES Fc1ccc2[nH]cc(CCCN(CC3CC3)C3COc4ccc5CNC(=O)c5c4C3)c2c1 Show InChI InChI=1S/C26H28FN3O2/c27-19-6-7-23-21(10-19)17(12-28-23)2-1-9-30(14-16-3-4-16)20-11-22-24(32-15-20)8-5-18-13-29-26(31)25(18)22/h5-8,10,12,16,20,28H,1-4,9,11,13-15H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of labeled paroxetine from 5-HT transporter				Bioorg Med Chem Lett 20: 222-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.134 BindingDB Entry DOI: 10.7270/Q26Q1XC6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50305106 ((+)-8-((cyclopropylmethyl)(3-(5-fluoro-1H-indol-3-...) Show SMILES Fc1ccc2[nH]cc(CCCN(CC3CC3)C3COc4ccc5CNC(=O)c5c4C3)c2c1 Show InChI InChI=1S/C26H28FN3O2/c27-19-6-7-23-21(10-19)17(12-28-23)2-1-9-30(14-16-3-4-16)20-11-22-24(32-15-20)8-5-18-13-29-26(31)25(18)22/h5-8,10,12,16,20,28H,1-4,9,11,13-15H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of labeled paroxetine from 5-HT transporter				Bioorg Med Chem Lett 20: 222-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.134 BindingDB Entry DOI: 10.7270/Q26Q1XC6
					More data for this Ligand-Target Pair