Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM22182'   

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))	BDBM22182 (3-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazi...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCC(=O)c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H30F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-21-20-32-18-16-31(17-19-32)15-14-27(33)22-4-2-1-3-5-22/h1-13,28H,14-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	47.8	n/a	n/a	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 labelled with [125I]- RTI-55 in rat.				J Med Chem 42: 5029-42 (2000) BindingDB Entry DOI: 10.7270/Q2R49PZ2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22182 (3-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazi...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCC(=O)c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H30F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-21-20-32-18-16-31(17-19-32)15-14-27(33)22-4-2-1-3-5-22/h1-13,28H,14-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	48	-38.8	n/a	n/a	n/a	n/a	n/a	7.4	4
National Taiwan University					Assay Description The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...				J Med Chem 51: 2795-806 (2008) Article DOI: 10.1021/jm701270n BindingDB Entry DOI: 10.7270/Q2B27SK6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22182 (3-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazi...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCC(=O)c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H30F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-21-20-32-18-16-31(17-19-32)15-14-27(33)22-4-2-1-3-5-22/h1-13,28H,14-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity of the compound towards dopamine transporter (DAT)				Bioorg Med Chem Lett 13: 1385-9 (2003) BindingDB Entry DOI: 10.7270/Q2VX0FV8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22182 (3-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazi...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCC(=O)c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H30F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-21-20-32-18-16-31(17-19-32)15-14-27(33)22-4-2-1-3-5-22/h1-13,28H,14-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	41.6	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 Reuptake inhibition of [3H]-labeled dopamine (DA) in rat.				J Med Chem 42: 5029-42 (2000) BindingDB Entry DOI: 10.7270/Q2R49PZ2
					More data for this Ligand-Target Pair