Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with all data for entry = 50032110
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
University of Catania

Curated by ChEMBL
LigandPNGBDBM50206578(CHEMBL222301 | cis-((+/-)-Methyl(1R,2S/1S,2R)-2-[(...)
Show SMILES COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C24H29NO3/c1-18-8-10-20(11-9-18)24(22(26)28-2)16-21(24)17-25-14-12-23(27,13-15-25)19-6-4-3-5-7-19/h3-11,21,27H,12-17H2,1-2H3
Affinity DataKi:  1.80nMAssay Description:Displacement of [3H]-(+)-pentazocine from guinea pig sigma1 opioid receptor by liquid scintillation countingMore data for this Ligand-Target Pair
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
University of Catania

Curated by ChEMBL
LigandPNGBDBM50324628((+)-Methyl(1R,2S)-2-[(4-Hydroxy-4-phenylpiperidin-...)
Show SMILES COC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C24H29NO3/c1-18-8-10-20(11-9-18)24(22(26)28-2)16-21(24)17-25-14-12-23(27,13-15-25)19-6-4-3-5-7-19/h3-11,21,27H,12-17H2,1-2H3/t21-,24+/m1/s1
Affinity DataKi:  1.90nMAssay Description:Displacement of [3H]-(+)-pentazocine from guinea pig sigma1 opioid receptor by liquid scintillation countingMore data for this Ligand-Target Pair
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
University of Catania

Curated by ChEMBL
LigandPNGBDBM50324629((-)-Methyl(1S,2R)-2-[(4-Hydroxy-4-phenylpiperidin-...)
Show SMILES COC(=O)[C@]1(C[C@H]1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C24H29NO3/c1-18-8-10-20(11-9-18)24(22(26)28-2)16-21(24)17-25-14-12-23(27,13-15-25)19-6-4-3-5-7-19/h3-11,21,27H,12-17H2,1-2H3/t21-,24+/m0/s1
Affinity DataKi:  13nMAssay Description:Displacement of [3H]-(+)-pentazocine from guinea pig sigma1 opioid receptor by liquid scintillation countingMore data for this Ligand-Target Pair