Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50095132'   

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))	BDBM50095132 ((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...) Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2ccc(cc2)C(F)(F)F)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H29ClF3N3O2/c1-36-15-14-25(21-8-12-24(30)13-9-21)26(18-36)28(38)35-17-20-4-2-19(3-5-20)16-34-27(37)22-6-10-23(11-7-22)29(31,32)33/h2-13,25-26H,14-18H2,1H3,(H,34,37)(H,35,38)/t25-,26+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-DA uptake at Dopamine transporter into rat nerve endings (synaptosomes)				Bioorg Med Chem Lett 10: 2741-3 (2000) BindingDB Entry DOI: 10.7270/Q2KK9B1R
					More data for this Ligand-Target Pair