Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM30126'   

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))	BDBM30126 (CHEMBL313041 | phthalazinone, 19) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-22.6	n/a	n/a	>1.00E+5	n/a	n/a	7.4	22
Human BioMolecular Research Institute					Assay Description Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...				J Med Chem 52: 1530-9 (2009) Article DOI: 10.1021/jm8010993 BindingDB Entry DOI: 10.7270/Q2MK6B7M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM30126 (CHEMBL313041 | phthalazinone, 19) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human recombinant SERT expressed in HEK293 cells				Bioorg Med Chem 17: 337-43 (2008) Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM30126 (CHEMBL313041 | phthalazinone, 19) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human recombinant SERT expressed in HEK293 cells				Bioorg Med Chem 17: 337-43 (2008) Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0
					More data for this Ligand-Target Pair