Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50088336'   

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))	BDBM50088336 (9-(3,4-Dichloro-benzylidene)-7-aza-tricyclo[4.3.1....) Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7| Show InChI InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-14(19)15(20)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+/t12-,13-,16?,17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity using [125I]RTI-55 as a radioligand in HEK-hSERT cells expressing human serotonin transporter				J Med Chem 43: 2064-71 (2000) BindingDB Entry DOI: 10.7270/Q2GX4C8X
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50088336 (9-(3,4-Dichloro-benzylidene)-7-aza-tricyclo[4.3.1....) Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7| Show InChI InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-14(19)15(20)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+/t12-,13-,16?,17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of reuptake of [3H]5-HT at serotonin transporter				J Med Chem 43: 2064-71 (2000) BindingDB Entry DOI: 10.7270/Q2GX4C8X
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50088336 (9-(3,4-Dichloro-benzylidene)-7-aza-tricyclo[4.3.1....) Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7| Show InChI InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-14(19)15(20)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+/t12-,13-,16?,17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of reuptake of [3H]5-HT at serotonin transporter				J Med Chem 43: 2064-71 (2000) BindingDB Entry DOI: 10.7270/Q2GX4C8X
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50088336 (9-(3,4-Dichloro-benzylidene)-7-aza-tricyclo[4.3.1....) Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7| Show InChI InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-14(19)15(20)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+/t12-,13-,16?,17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of [3H]5-HT uptake in HEK-hSERT cells expressing Human serotonin transporter				J Med Chem 43: 2064-71 (2000) BindingDB Entry DOI: 10.7270/Q2GX4C8X
					More data for this Ligand-Target Pair