Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50129370'   

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))	BDBM50129370 (3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:16:6:1:4.3,THB:24:26:40:28.29| Show InChI InChI=1S/C34H44Cl2N4O2/c1-39-25-13-15-29(39)31(27(19-25)21-5-9-23(35)10-6-21)33(41)37-17-3-4-18-38-34(42)32-28(22-7-11-24(36)12-8-22)20-26-14-16-30(32)40(26)2/h5-12,25-32H,3-4,13-20H2,1-2H3,(H,37,41)(H,38,42)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibition of [125I]RTI-55 binding to dopamine transporter in HEK cells				Bioorg Med Chem Lett 13: 2151-4 (2003) BindingDB Entry DOI: 10.7270/Q2DN45K3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50129370 (3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:16:6:1:4.3,THB:24:26:40:28.29| Show InChI InChI=1S/C34H44Cl2N4O2/c1-39-25-13-15-29(39)31(27(19-25)21-5-9-23(35)10-6-21)33(41)37-17-3-4-18-38-34(42)32-28(22-7-11-24(36)12-8-22)20-26-14-16-30(32)40(26)2/h5-12,25-32H,3-4,13-20H2,1-2H3,(H,37,41)(H,38,42)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibition of [3H]DA binding to dopamine (DAT) transporter in HEK cells				Bioorg Med Chem Lett 13: 2151-4 (2003) BindingDB Entry DOI: 10.7270/Q2DN45K3
					More data for this Ligand-Target Pair