Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50129369'   

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))	BDBM50129369 (3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCCCCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:16:6:1:4.3,THB:28:30:44:32.33| Show InChI InChI=1S/C38H52Cl2N4O2/c1-43-29-17-19-33(43)35(31(23-29)25-9-13-27(39)14-10-25)37(45)41-21-7-5-3-4-6-8-22-42-38(46)36-32(26-11-15-28(40)16-12-26)24-30-18-20-34(36)44(30)2/h9-16,29-36H,3-8,17-24H2,1-2H3,(H,41,45)(H,42,46)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90	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 Compound was tested for inhibition of [125I]RTI-55 binding to Serotonin transporter in HEK cells				Bioorg Med Chem Lett 13: 2151-4 (2003) BindingDB Entry DOI: 10.7270/Q2DN45K3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50129369 (3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCCCCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:16:6:1:4.3,THB:28:30:44:32.33| Show InChI InChI=1S/C38H52Cl2N4O2/c1-43-29-17-19-33(43)35(31(23-29)25-9-13-27(39)14-10-25)37(45)41-21-7-5-3-4-6-8-22-42-38(46)36-32(26-11-15-28(40)16-12-26)24-30-18-20-34(36)44(30)2/h9-16,29-36H,3-8,17-24H2,1-2H3,(H,41,45)(H,42,46)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibition of [3H]5-HT binding to Serotonin transporter in HEK cells				Bioorg Med Chem Lett 13: 2151-4 (2003) BindingDB Entry DOI: 10.7270/Q2DN45K3
					More data for this Ligand-Target Pair