Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50054727'   

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))	BDBM50054727 (1,4-Bis-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C34H34F4N2O2/c35-29-9-1-25(2-10-29)33(26-3-11-30(36)12-4-26)41-23-21-39-17-19-40(20-18-39)22-24-42-34(27-5-13-31(37)14-6-27)28-7-15-32(38)16-8-28/h1-16,33-34H,17-24H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	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 Compound was tested for binding against Dopamine transporter using radioligand as [3H]-RTI 55				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))	BDBM50054727 (1,4-Bis-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C34H34F4N2O2/c35-29-9-1-25(2-10-29)33(26-3-11-30(36)12-4-26)41-23-21-39-17-19-40(20-18-39)22-24-42-34(27-5-13-31(37)14-6-27)28-7-15-32(38)16-8-28/h1-16,33-34H,17-24H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	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 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
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50054727 (1,4-Bis-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C34H34F4N2O2/c35-29-9-1-25(2-10-29)33(26-3-11-30(36)12-4-26)41-23-21-39-17-19-40(20-18-39)22-24-42-34(27-5-13-31(37)14-6-27)28-7-15-32(38)16-8-28/h1-16,33-34H,17-24H2	Reactome pathway KEGG UniProtKB/SwissProt 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
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