Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50039175'   

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))	BDBM50039175 (3-[(4-Methoxy-phenyl)-phenyl-methoxy]-8-methyl-8-a...) Show SMILES COc1ccc(cc1)C(OC1CC2CCC(C1)N2C)c1ccccc1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C22H27NO2/c1-23-18-10-11-19(23)15-21(14-18)25-22(16-6-4-3-5-7-16)17-8-12-20(24-2)13-9-17/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]WIN-35428 binding in rat caudate-putamen				J Med Chem 37: 2258-61 (1994) BindingDB Entry DOI: 10.7270/Q2FJ2HFZ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50039175 (3-[(4-Methoxy-phenyl)-phenyl-methoxy]-8-methyl-8-a...) Show SMILES COc1ccc(cc1)C(OC1CC2CCC(C1)N2C)c1ccccc1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C22H27NO2/c1-23-18-10-11-19(23)15-21(14-18)25-22(16-6-4-3-5-7-16)17-8-12-20(24-2)13-9-17/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse - Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 binding to the dopamine transporter in rat caudate putamen tissue.				J Med Chem 42: 3502-9 (1999) Article DOI: 10.1021/jm980701v BindingDB Entry DOI: 10.7270/Q2VD705D
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50039175 (3-[(4-Methoxy-phenyl)-phenyl-methoxy]-8-methyl-8-a...) Show SMILES COc1ccc(cc1)C(OC1CC2CCC(C1)N2C)c1ccccc1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C22H27NO2/c1-23-18-10-11-19(23)15-21(14-18)25-22(16-6-4-3-5-7-16)17-8-12-20(24-2)13-9-17/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse - Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake in rat caudate putamen tissue.				J Med Chem 42: 3502-9 (1999) Article DOI: 10.1021/jm980701v BindingDB Entry DOI: 10.7270/Q2VD705D
					More data for this Ligand-Target Pair