Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50052173'   

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))	BDBM50052173 ((2S,5R)-3-(4-Iodo-phenyl)-8-methyl-2-(3-methyl-iso...) Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(I)cc1)c1cc(C)no1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C18H21IN2O/c1-11-9-17(22-20-11)18-15(12-3-5-13(19)6-4-12)10-14-7-8-16(18)21(14)2/h3-6,9,14-16,18H,7-8,10H2,1-2H3/t14-,15?,16?,18+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum				J Med Chem 39: 2753-63 (1996) Article DOI: 10.1021/jm960160e BindingDB Entry DOI: 10.7270/Q2N87BDF
					More data for this Ligand-Target Pair