Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50131359'   

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))	BDBM50131359 ((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-p...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28| Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description In vitro binding affinity towards rat serotonin transporter				Bioorg Med Chem Lett 13: 2719-25 (2003) BindingDB Entry DOI: 10.7270/Q2T43SGC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50131359 ((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-p...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28| Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of [3H]- paroxetine binding to 5-HTT receptor, serotonin transporter				J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50131359 ((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-p...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28| Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine				Bioorg Med Chem Lett 13: 2719-25 (2003) BindingDB Entry DOI: 10.7270/Q2T43SGC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50131359 ((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-p...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28| Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description In vitro binding affinity towards human serotonin transporter				Bioorg Med Chem Lett 14: 2917-22 (2004) Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50131359 ((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-p...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28| Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter				J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC
					More data for this Ligand-Target Pair