Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50118268'   

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 (Homo sapiens (Human))	BDBM50118268 (5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)17(21,20-10-9-19-16(13)20)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50118268 (5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)17(21,20-10-9-19-16(13)20)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of dopamine uptake in HEK cells expressing human dopamine transporter (hDAT)				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50118268 (5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)17(21,20-10-9-19-16(13)20)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67.1	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine Transporter of guinea pig striatal membrane				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair