Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50168070'   

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))	BDBM50168070 (CHEMBL3798035) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#C Show InChI InChI=1S/C21H24N2/c1-4-17-10-11-19-13-12-18-8-5-6-9-20(18)23(21(19)16-17)15-7-14-22(2)3/h1,5-6,8-11,16H,7,12-15H2,2-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Inhibition of human SERT I179C mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5...				Bioorg Med Chem 24: 2725-38 (2016) Article DOI: 10.1016/j.bmc.2016.04.039 BindingDB Entry DOI: 10.7270/Q2CF9S1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50168070 (CHEMBL3798035) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#C Show InChI InChI=1S/C21H24N2/c1-4-17-10-11-19-13-12-18-8-5-6-9-20(18)23(21(19)16-17)15-7-14-22(2)3/h1,5-6,8-11,16H,7,12-15H2,2-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Inhibition of wild-type human SERT expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5HT ...				Bioorg Med Chem 24: 2725-38 (2016) Article DOI: 10.1016/j.bmc.2016.04.039 BindingDB Entry DOI: 10.7270/Q2CF9S1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50168070 (CHEMBL3798035) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#C Show InChI InChI=1S/C21H24N2/c1-4-17-10-11-19-13-12-18-8-5-6-9-20(18)23(21(19)16-17)15-7-14-22(2)3/h1,5-6,8-11,16H,7,12-15H2,2-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Inhibition of human SERT I172M mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5...				Bioorg Med Chem 24: 2725-38 (2016) Article DOI: 10.1016/j.bmc.2016.04.039 BindingDB Entry DOI: 10.7270/Q2CF9S1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50168070 (CHEMBL3798035) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#C Show InChI InChI=1S/C21H24N2/c1-4-17-10-11-19-13-12-18-8-5-6-9-20(18)23(21(19)16-17)15-7-14-22(2)3/h1,5-6,8-11,16H,7,12-15H2,2-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Inhibition of human SERT W103A mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5...				Bioorg Med Chem 24: 2725-38 (2016) Article DOI: 10.1016/j.bmc.2016.04.039 BindingDB Entry DOI: 10.7270/Q2CF9S1W
					More data for this Ligand-Target Pair