Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with all data for entry = 50007409
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50062680(2-[[2-[[[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[...)
Show SMILES CN1C2CCC1[C@@H]([C@@H]2CN1CCS[Re]2(=O)SCCN2CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H31ClN3S2.O.Re/c1-23-18-6-7-19(23)20(15-2-4-16(21)5-3-15)17(18)14-24(11-13-26)10-8-22-9-12-25;;/h2-5,17-20,25-26H,6-14H2,1H3;;/q-1;;+4/p-2/t17-,18?,19?,20-;;/m1../s1
Affinity DataKi:  8.42nMAssay Description:In vitro bindingaffinity towards dopamine transporter in rat striatal homogenatewith [125I]-IPT as the radioligandMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50062679(2-[[2-[[[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[...)
Show SMILES CN1C2CCC1[C@@H]([C@H]2CN1CCS[Re]2(=O)SCCN2CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H31ClN3S2.O.Re/c1-23-18-6-7-19(23)20(15-2-4-16(21)5-3-15)17(18)14-24(11-13-26)10-8-22-9-12-25;;/h2-5,17-20,25-26H,6-14H2,1H3;;/q-1;;+4/p-2/t17-,18?,19?,20+;;/m0../s1
Affinity DataKi:  13.9nMAssay Description:In vitro bindingaffinity towards dopamine transporter in rat striatal homogenatewith [125I]-IPT as the radioligandMore data for this Ligand-Target Pair