Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50054724'   

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 dopamine transporter (Rattus norvegicus (rat))	BDBM50054724 (3-(3-{[(S)-1-(2-Benzhydryloxy-ethyl)-pyrrolidin-2-...) Show SMILES Oc1cccc(CCCNC[C@@H]2CCCN2CCOC(c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C29H36N2O2/c32-28-17-7-10-24(22-28)11-8-18-30-23-27-16-9-19-31(27)20-21-33-29(25-12-3-1-4-13-25)26-14-5-2-6-15-26/h1-7,10,12-15,17,22,27,29-30,32H,8-9,11,16,18-21,23H2/t27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of dopamine DA reuptake				J Med Chem 39: 4704-16 (1997) Article DOI: 10.1021/jm960305h BindingDB Entry DOI: 10.7270/Q2QZ2BN6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50054724 (3-(3-{[(S)-1-(2-Benzhydryloxy-ethyl)-pyrrolidin-2-...) Show SMILES Oc1cccc(CCCNC[C@@H]2CCCN2CCOC(c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C29H36N2O2/c32-28-17-7-10-24(22-28)11-8-18-30-23-27-16-9-19-31(27)20-21-33-29(25-12-3-1-4-13-25)26-14-5-2-6-15-26/h1-7,10,12-15,17,22,27,29-30,32H,8-9,11,16,18-21,23H2/t27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	222	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity against dopamine transporter using radioligand as [3H]GBR 12935				J Med Chem 39: 4704-16 (1997) Article DOI: 10.1021/jm960305h BindingDB Entry DOI: 10.7270/Q2QZ2BN6
					More data for this Ligand-Target Pair